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A review on modeling of graphene and associated nanostructures reinforced concrete

  • Qiang Yue , Qiao Wang EMAIL logo , Timon Rabczuk , Wei Zhou , Xiaolin Chang and Xiaoying Zhuang EMAIL logo
Published/Copyright: June 4, 2024
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Nanotechnology Reviews
From the journal Nanotechnology Reviews Volume 13 Issue 1

Abstract

Concrete is the most popular construction material in infrastructure projects due to its numerous natural advantages. Nevertheless, concrete constructions frequently suffer from low tensile strength and poor durability performance which are always urgent tasks to be solved. The concrete reinforced by various nanomaterials, especially graphene and its associated nanostructures (GANS), shows excellent chemical and physical properties for engineering applications. The influence of GANS on cement composites is a multiscale behavior from the nanoscale to the macroscale, which requires a number of efforts to reveal via numerical and experimental approaches. To meet this need, this study provides a comprehensive overview of the numerical modeling for GANS reinforced concrete in various scales. The background and importance of the topic are addressed in this study, along with the review of its methodologies, findings, and applications. Moreover, the study critically summarizes the performance of GANS reinforced concrete, including its mechanical behavior, transport phenomena, and failure mechanism. Additionally, the primary challenges and future prospects in the research field are also discussed. By presenting an extensive overview, this review offers valuable insights for researchers and practitioners interested in numerical simulation to advance concrete science and engineering.

Keywords: graphene; cement composites; concrete; numerical modeling; multiscale behavior

1 Introduction

Due to its numerous advantages, such as low-cost manufacture, easy shapeability, strong bonding power, and high compressive strength, concrete has become one of the most widely used building materials in civil and hydraulic engineering in the whole world [1]. However, the drawbacks of conventional concrete, including its weak corrosion resistance, poor tensile strength, and intrinsic brittleness, remain main issues to be overcome in engineering structures. For the purpose of improving the performance of cement composites, numerous attempts have been made to introduce various materials and techniques into the concrete, such as chemical admixtures, supplementary cementitious materials, surface coating materials, and fibers. It has been proven that advanced nanotechnology makes it possible to control the nano-sized defects (pores smaller than 20 nm in size) before micro-sized crack propagation. Consequently, nanomaterials like nano-titanium, nano-clay, nano-silica, and dioxide were studied as additions to concrete in many works [2,3]. Over the past years, graphene and its associated nanostructures (GANS) have become the new stars of carbon-based nanomaterials that can be incorporated into concrete owing to their extraordinary physical characteristics, e.g., the specific surface area (2,630 m2 g−1), tensile strength (130 GPa), Young’s modulus (1.1 TPa), electronic mobility (2 × 105 cm2 V−1 s−1), and thermal conductivity (∼5,000 W m−1 K−1) [4,5,6,7].

Graphene [8], which can be presented in a variety of shapes, is a single-layer carbon sheet with a two-dimensional honeycomb lattice nanostructure, as illustrated in Figure 1. In order to meet different requirements, graphene can be obtained in several chemical forms, including graphene nano platelets (GNP) [9], graphene oxide (GO) [10], graphene flakes [11], and reduced graphene oxide (rGO) [12]. Further, GANS can also be recognized as various materials according to their geometries and stacking modes, such as carbon nanotubes (CNT) [13], carbon nanofibers (CNF) [14], carbon nanocoil (CNC) [15], carbon black [16], carbon nanocone [17], graphene nanoribbons [18], graphene nanoislands [19], graphane [20], graphyne [21], and pristine graphene itself. Among the materials, several types of GANS like GNP, GO, and CNT are commonly used in cementitious composites to enhance their physical performance [22,23].

Figure 1 Graphene is a 2D basic material which can be reshaped to carbon materials of all other dimensionalities, including 0D buckyballs, 1D nanotubes, and 3D graphite [24].
Figure 1

Graphene is a 2D basic material which can be reshaped to carbon materials of all other dimensionalities, including 0D buckyballs, 1D nanotubes, and 3D graphite [24].

Practically, as one of the most often employed nanostructures in graphene reinforced concrete, GNP is a sheet-like material that can be readily produced from graphite or graphite oxide. It has a thickness of 3–100 nm and consists of several layers of graphene. Hence, GNP is a significant reinforcing material because of its morphological structure. GO is a layered material oxidized from graphite, with various oxygen-containing hydrophilic functional groups interspersed on the edges and basal surfaces of graphene. It has been proven that GO can effectively enhance the durability as well as mechanical performance of cement composites [25]. The main distinction between GNPs and GO for concrete depends on their electrical properties and dispersibility potential. In comparison to GNPs, GO is easier to disperse in water because of the oxygen groups on its sheet. However, the oxygen groups also make GO become an electrical insulator and lose advanced capabilities such as self-sensing. CNT, which is thought to be a good alternative to traditional reinforced fibers, is another popular research field in cement composites. It can be considered a cylinder obtained through rolling two-dimensional graphene layers. Besides, CNT can be classified into three types according to the number of walls, i.e., single-walled CNT (SWCNT) [26], double-walled CNT [27], and multi-walled CNT [28]. Danoglidis et al. [29] found that the employment of CNTs significantly improves the mechanical performance of cement-based composites.

Researchers have noticed that many properties of concrete can be improved by incorporating graphene sheets into the composite. Pan et al. [30] concluded that adding 0.03% GO by cement weight to the cement paste can, respectively, increase the flexure, tensile, and compressive strengths of cement by 60.7, 78.6, and 38.9%. Jing et al. [31] found that when loading 0.2 and 0.4% graphene by weight of cement, the flowability of cement mortar can be diminished by 17.4 and 39%, respectively. According to the work of Wang et al. [32], evenly dispersed graphene can decrease the cement’s stress under external loading and thus improve the strength properties of the cement composite. However, excessive graphene can lead to a degradation of physical properties due to the defects on the interface of different materials. Qureshi and Panesar [33] indicated that concrete’s flexural and compressive strengths are best improved at 0.02 wt% graphene, whereas a larger concentration of graphene steadily degrades the performance of cement paste.

The heterogeneity of composite materials manifests itself at different scales, especially for cement-based materials with complex components [34,35]. To study the mechanical performance of GANS reinforced concrete, one can divide its internal structure into four levels, as depicted in Figure 2. According to the spatial scale, the four levels correspond to the macroscale (>10−1 m), mesoscale (10−3–10−1 m), microscale (10−6–10−4 m), and nanoscale (<10−6 m), respectively. At the nanoscale, the molecular structure of the calcium silicate hydrate (CSH) matrix and its connections with GANS can be considered. As one of the main hydration products at early ages, CSH significantly affects the mechanical behaviors of concrete. Further, the CSH matrix, together with the large portlandite crystals, aluminates, unhydrated cement products, and other cement compositions, forms the cement paste at the microscale. As for the mesoscale, concrete can be regarded as a three-phase composite material that is made up of aggregates, a cement paste matrix, and an interfacial transition zone connecting them. The highest level refers to continuous homogeneous materials. More precisely, the mechanical response of concrete is studied without considering the distribution of internal components, and the equivalent parameters obtained from homogenization approaches are used at the macroscale.

Figure 2 Four levels of the spatial scale for ultra-high-performance concrete.
Figure 2

Four levels of the spatial scale for ultra-high-performance concrete.

In this review, a thorough study on the numerical simulation of GANS reinforced concrete is performed. In Section 2, the modeling methods and their performance for GANS reinforced concrete in nano and micro scales are discussed. Then, the numerical aspects of GANS in cementitious composites from the meso and macro perspectives are presented in Section 3. Section 4 is devoted to the multiscale modeling strategies for GANS reinforced concrete. Finally, the concluding remarks and future prospects are given in Section 5.

2 Nanoscale and microscale performance of graphene reinforced concrete

2.1 Numerical models for CSH and GANS

The numerical analysis on atomic and molecular scales is typically based on the empirical force field methods or the quantum mechanics approaches. The quantum mechanics simulation methods, which can describe the electron motion accurately, are a type of techniques for modeling quantum mechanics using computer technology. Molecular mechanics (MD) is a rapidly developing theory based on empirical force fields as well as the Born-Oppenheimer approximation. The effects of electrons are neglected in the MD, and the function of nuclear coordinates is applied to express the energy of the system. It makes the MD more applicable for the modeling of larger systems, such as Monte Carlo [36], molecular statics [37], molecular dynamics [38], and so on.

As an analytical method at the nanometer scale, MD is the most important and frequently adopted theory due to its accuracy and flexibility. It combines computer technology, physics, chemistry, and mathematics to analyze the motion of molecular systems using Newtonian classical mechanics. In the past 20 years, MD simulation of CSH has been continuously improved to help study the structures, evolution, as well as other characteristics of hydrated cement matrix at the level of molecules [39]. The selection of the force field, which is built for representing the atom interactions, lies at the heart of MD simulation. For decades, hundreds of empirical force fields, which were validated with experimental data, have been developed for different research fields. Among them, some force fields are commonly applied to model cementitious composites, such as the consistent valence force field (CVFF), interface force field (IFF), COMPASS, CSH-FF, and so on. More details about the force fields can be found in Table 1.

Table 1

Popular force fields for cementitious systems

Force field Basic features Ref.
UFF It is a full atomic force field that can be used for all elements in the periodic table [40,41,42]
COMPASS As a superior generalized ab initio force field, it is commonly applied in the modeling of liquids, polymers, and crystals [43,44,45]
ClayFF It is a force field designed for aqueous solution interfaces and hydrated multi-component mineral systems (mainly for clay-related phases). By treating most of the bonded interactions in the crystals as pseudo-ionic, the highly complex systems with millions of atoms are allowed for molecular simulations [46,47]
CSH-FF As a modified version of ClayFF, the force field is specially designed for CSH. Compared with other force fields such as ClayFF, it is more efficient for large systems due to the lower computational cost [48,49,50]
IFF It yields the consistency of inorganic and organic thermodynamics and is used in the simulation of the inorganic-organic interface. It is applicable for all kinds of elements and does not depend on quantum mechanical calculations of atomic charges [51,52,53]
CVFF It is a generalized valence force field that has been parameterized for water, various functional groups, and some inorganic materials, including silica [25,54,55]
Cement-FF All cementitious materials can be modeled with this force field. Potentials developed for similar atomic species systems are combined and adjusted in the model [56]
Dreiding This is a strictly diagonal force field possessing cosine-Fourier expansion torsion and harmonic valence terms. It can be used for a variety of structures [40]
PCFF The force field is originally created for organic and polymeric materials. Similar to COMPASS, it was parametrized for a number of functional groups [52,57]
ReaxFF It is a methodology between empirical force fields and quantum mechanics. In the modeling of chemical reactions and transition states, the force field employs bond order rather than fixed connections for chemical bonds [58,59,60]
GB It is originally established to express interactions between ellipsoidal particles and can be applied for controlling the interaction between the building blocks of disk-like CSH gel [61,62]

2.2 Microscale mechanical properties and performance of GANS reinforced cement

GANS, whose sizes range from nanometers to micrometers, can dramatically impact the chemical and physical properties of hydrated cement composites, including chemical reactivity, heat conduction, strength, shrinkage, and creep [63,64,65,66,67,68]. In recent years, extensive works have been made to study the interactions between GANS and cement paste in cement hydrates, for example, molecular binding modes and hydration reaction rate [69,70]. The selected MD simulation investigations on the structures and performance of GANS-cement systems are summarized in Table 2. Based on the molecular modeling, Fan et al. [71] studied the shear strength of Go/cement interface. The result showed that the shear strength was 647.58 ± 91.18 MPa for the interface of GO cement, while 6–35 MPa for Portland cement. Wan and Zhang [72] compared the mechanical performance of ordinary Portland cement (OPC) and GO reinforced ultra-high performance concrete (UHPC), and explained the differences from the aspects of the structure, energies, and material properties of the CSH/GO interface. There are more hydroxyls and calcium dispersed in the interlayer for the CSH generated in UHPC, resulting in a larger interlayer spacing and more water absorption. The sites for the interfacial chemical bonds are occupied by hydroxyls and water, so that the Ca–O bonds and H-bond network at the CSH/GO interface are weakened. However, the water and hydroxyls play the role of bridges to connect GO sheet and CSH gel, as shown in Figure 3. Besides, the CSH/GO interface has a stronger tensile strength and larger interfacial interaction energy when there is more interlayer calcium for UHPC. Hou et al. [73] modeled the bonding properties of GO interfaced epoxy-concrete composite based on molecular dynamics. The damage processes of epoxy-CSH and epoxy-GO-CSH systems under tension are compared in Figures 4 and 5. Obviously, the contact area on the interface of epoxy-GO-CSH system was considerably larger than that on epoxy-CSH system when they were under the same loading stage. It was concluded that the GO-modification of the epoxy/CSH interface can significantly increase its tensile resistance. The enhancement of bonding performance at epoxy-GO interfaces is due to the numerous hydrogen bonds that formed between GO’s polar oxygen-containing functional groups and the epoxy molecules. When Go was coated on the polyethylene (PE) fiber, Lu et al. [74] observed a reduction in the translational motion of the atoms across the PE/CSH interface, which made the entire composite system more stable. The bonding energy at the CSH/GO as well as PE/GO interfaces is much higher compared to that at the weak CSH/epoxy interface, as illustrated in Figure 6. The topological structure and physical properties of the nanoscale additions, such as the connectivity and size distribution of pores in GANS, are also aspects that need to be considered in composite materials. The stochastic behaviors and effective material properties of functionally graded porous nanoscale plates are investigated by Tran et al. [75]. It was found that when the porosity density increases, the critical buckling loads decrease. For more details on this aspect, please refer to previous studies [76,77,78].

Table 2

Summary of MD analyses on GANS reinforced concrete

Matrix GNS type Force field Influence on Highlights Year Ref.
CSH GNPs; GONPs ReaxFF; CSH-FF OPLS-AA Freeze-and-thaw performance The freeze-and-thaw performance of cement is compromised by the pure GNPs, whereas it can be improved by the GONPs 2016 [80]
CSH CNT Tersoff [82] Mechanical properties The addition of 2.351 Å CNT to the tobermorite with a diameter of 11 Å simultaneously improves its bulk modulus, shear modulus, and Young’s modulus 2017 [83]
CSH GO COMPASS Shear strength The shear strength is 647.58 ± 91.18 MPa for CSH-GO interface, while 6–35 MPa for Portland cement at the macroscale 2017 [71]
CSH GO ReaxFF Reactivity and interfacial bonding In contrast to sulfate groups, carboxyl and hydroxyl groups can keep strong stability and prevent dissociation under the cement hydrate environment, making them ideal functional groups for reinforcing the GO/CSH composite 2018 [84]
PE-CSH GO ClayFF; CVFF Shear strength Comparing PE-GO-CSH to PE-CSH, the maximum pulling force for PE is enhanced by 41.67%; By enhancing the CSH-GO and PE-GO interfaces, which have higher interface binding energies than PE-CSH, GO can improve the strength of the weak PE-CSH interface 2020 [74]
CSH with NaCl solution GO ClayFF; CVFF Durability Because of the incorporation of GO sheets, the rate of ion and water migration in CSH is significantly lowered; The chloride ingress in cement can be restrained by the “immobilizing effect” and “caging effect” of GO sheets 2020 [25]
CSH CNT CSH-FF Mechanical properties CSH gains 100% more strength, 21% more elastic modulus, 70% more shear modulus, and 17% more bulk modulus after the addition of CNT (1.8%) 2020 [85]
CSH CNT COMPASSII [42] Interaction The binding ability of CNTs is not significantly affected by the number of walls; The strength of the interface is primarily determined by the type and amount of functional groups, as well as the relative orientation of the polar groups of CNT 2020 [86]
Epoxy-CSH GO ClayFF; CVFF Tensile strength The epoxy-GO-CSH interface has a much stronger tensile resistance than the epoxy-CSH interface because of the hydrogen bonds established between the epoxy molecules and the polar oxygen-containing functional groups of GO 2021 [73]
Concrete matrix CNT Lennard-Jones [87] Poisson’s ratio, Young’s modulus The mechanical properties of concrete samples with three different types of CNTs are compared and calculated 2021 [88]
Figure 3 MD model for CSH gel and CSH/GO interface [72].
Figure 3

MD model for CSH gel and CSH/GO interface [72].

Figure 4 The performance of CSH-epoxy system at different loading stages: (a) load–displacement curve, (b) center of mass (COM) vs displacement curve for epoxy molecules, (c) CSH-epoxy contact area, and (d) simulation snapshots [73].
Figure 4

The performance of CSH-epoxy system at different loading stages: (a) load–displacement curve, (b) center of mass (COM) vs displacement curve for epoxy molecules, (c) CSH-epoxy contact area, and (d) simulation snapshots [73].

Figure 5 The performance of CSH-GO-epoxy system at different loading stages: (a) Load–displacement curve, (b) COM vs displacement curve for epoxy molecules, (c) CSH-epoxy contact area, and (d) simulation snapshots [73].
Figure 5

The performance of CSH-GO-epoxy system at different loading stages: (a) Load–displacement curve, (b) COM vs displacement curve for epoxy molecules, (c) CSH-epoxy contact area, and (d) simulation snapshots [73].

Figure 6 Adhesion energy of CSH/PE and CSH/GO/PE interfaces [74].
Figure 6

Adhesion energy of CSH/PE and CSH/GO/PE interfaces [74].

The transport properties, including ion diffusion and water permeability, can also be affected when cement is incorporated with GANS [79]. The influence of GNPs as well as graphene oxide nanoplatelets (GONPs) on the freeze-and-thaw properties of concrete was researched by Tong et al. [80] at the atomistic level. In their study, CSH-FF and ReaxFF were utilized to model the interatomic reactions of CSH gels. For the GONPs, the hydroxyl groups were described by using the harmonic bond potentials of O–H and C–O bonds, harmonic angular potentials of C–O–H and C–C–O angles, and harmonic dihedral potentials of C–C–O–H and C–C–C–O dihedral angles. Moreover, the OPLS-AA [81] force field for dialkyl ether was adopted to represent the epoxy groups. During the freeze/thaw cycles, the cyclic loads caused by pore water pressure in GNPs and GONPs reinforced concrete were 15.2 and 12 GPa higher than that in pure CSH gels, respectively. The graphene reinforced atomistic structures can increase the risk of nano-pore failure and worsen the freeze-and-thaw performance of concrete, especially for GNPs reinforced CSH gels. Zhao et al. [25] used molecular dynamics modeling and chloride diffusion tests to systematically study the transport behavior of GO reinforced cement. It was observed that the migration of chloride ions solution dramatically reduced when GO was introduced in the CSH pore. Due to the GO adsorbed on the inner surface of the CSH pore, the transportation of water can be hindered. As plotted in Figure 7, the solution species transportation in GO/CSH composite material is inhibited at the gel pore’s entry point, while the pure CSH gel does not possess this capability.

Figure 7 Translation of ions and water in the pore of (a) pure CSH gel, (b) CSH gel with incorporation of GO sheets (the white, gray, red, yellow, purple, and pale green balls represent hydrogen, carbon, oxygen, silicon, sodium, and chlorine atoms, respectively) [25].
Figure 7

Translation of ions and water in the pore of (a) pure CSH gel, (b) CSH gel with incorporation of GO sheets (the white, gray, red, yellow, purple, and pale green balls represent hydrogen, carbon, oxygen, silicon, sodium, and chlorine atoms, respectively) [25].

Due to the excellent performance of GANS reinforced concrete, these type of materials have been widely applied in the fields of self-sensing, electromagnetic shielding, anti-corrosive coating, and so on [89,90,91]. It should be highlighted that the self-sensing and electromagnetic materials are themselves structural materials so that the overall structural performance would not be compromised by the traditional sensors. Moreover, it also shows great potential in the construction engineering which requires ultrahigh strength and durability of materials [92,93,94].

3 Mesoscale and macroscale performance of graphene reinforced concrete

3.1 Numerical methods for large-scale concrete

Although the microscale performance of GANS incorporated concrete has been studied by many researchers, it is quite necessary to develop the simulation at macro and mesoscales in practical engineering. During the decades, the mechanical behavior of concrete has been modeled by applying a series of numerical methods, for instance, the finite element method (FEM) [12,95,96], meshless method (MM) [97], discrete element method (DEM) [98], finite difference method (FDM) [99], peridynamics [100], differential quadrature method (DQM) [101], incremental harmonic balanced method [102], and boundary element method [103]. However, most of the published literature on modeling GANS reinforced concrete are based on the finite element simulation as a result of its wide applicability.

3.2 Mesoscale and macroscale simulation on GANS reinforced concrete

3.2.1 Research on getting material properties

The selection of precise material properties is crucial in the modeling of concrete [104]. There are two strategies commonly used to get the macroscale properties of concrete. The first method is measuring the results obtained from experiments [105], whereas another method is performing the equivalence using numerical simulation [106]. Anastopoulos et al. [107] compared two strategies, i.e., the representative volume element (RVE) based homogenization method, and the multi-step homogenization method, to calculate the elastic properties of graphene-concrete composites, as depicted in Figure 8. In the method of multi-step homogenization, one can break the multi-phase composite into “grains,” with each grain composed of the matrix and one inclusion family. The same orientation, aspect ratio, and material properties are adopted for the inclusions of each family. Then, the Mori–Tanaka model and the Voigt formulation are applied in the homogenization process of the local grains and overall composite, respectively. For the RVE-based homogenization, the inclusions with random shapes and orientations are distributed in the element. The effective elastic properties of the composite can be obtained by modeling the RVE under tensile or shear loadings.

Figure 8 Homogenization methods of graphene-concrete composites [107]. (a) Representative volume element and (b) multi-step homogenization method reprentation.
Figure 8

Homogenization methods of graphene-concrete composites [107]. (a) Representative volume element and (b) multi-step homogenization method reprentation.

The electromagnetic parameters (complex permeability and complex permittivity) of GANS-based composites were studied by Santhosi et al. [108] using FEM. Compared to the conventional material, an improvement in microwave absorption was observed in composite concrete blocks. Le et al. [109] developed a mathematical model to estimate the damage extent in graphene reinforced concrete based on the measured fractional change in electrical resistance. This model was well verified by the physical experiments on the GNP-infused mortar.

3.2.2 Performance of GANS reinforced concrete

The cracking process of fiber-reinforced concrete embedded with graphene nanoplates was investigated by Pranno et al. [110,111]. It was noted that an increase in the absorbed energy by 20% and the first yielding load by 11% could be achieved for concrete when the volume fraction of graphene in concrete reached 0.1%, as shown in Figure 9. Besides, Saeed [12] used FEM to model the influence of rGO on the damage in concrete which was induced by heat of hydration. By applying the mechanical properties measured from experiments, the temperature change and cracking index of rGO reinforced concrete was successfully reproduced. It was found that, when substituting 1.2% rGO for OPC, the cracking index of concrete could be reduced by decreasing the thermal gradient of the specimens.

Figure 9 Comparison of cracking process of ultra-high-performance fiber-reinforced concrete (UHPFRC) with and without GNP: (a) load–deflection curves and (b) damage states [111].
Figure 9

Comparison of cracking process of ultra-high-performance fiber-reinforced concrete (UHPFRC) with and without GNP: (a) load–deflection curves and (b) damage states [111].

In order to study the impact resistance of GO-modified rubberized engineered cementitious composite (GOCRECC), Abdulkadir et al. [112] discussed the influence of GO and crumb rubber (CR) on the initial and final impact energies of concrete. Based on the experimental data and response surface methodology (RSM), response-predictive models and optimization were proposed to get the impact resistance of similar materials. Similarly, Adamu et al. [113] employed RSM to examine how GNP and plastic waste (PW) affect the performance of concrete with high-volume fly ash (HVFA). The established model, which is in great agreement with experimental data, indicates that the optimal mix can be obtained by substituting 6.07% of cement with HVFA, 15.3% of coarse aggregate with PW, and adding GNP at 0.22%. Krystek et al. [114] verified the mechanical performance of graphene-based concrete via FE modeling based on the properties measured in laboratory tests. Acar et al. [115] focused on the influence of monolayer prepreg (MP) composites or graphene-reinforced monolayer prepreg (GMP) composites on the mechanical strengths of concrete beams. In accordance with the findings, credible solutions can be provided by MP and GMP composites for strengthening concrete structures. The buckling behavior of concrete columns armed with SWCNTs was investigated by Ali and Reza [116] based on DQM. Furthermore, the nonlinear buckling load grew gradually with the increase in volume percent of SWCNTs. Numerical results showed that the structure became stiffer when the concrete was reinforced by SWCNTs. The long-term performance of concrete, which is incorporated with carbon fiber reinforced polymer (CFRP) strips, was studied by Michele and Angelo [117]. The reinforcing strips were made of a polymer matrix incorporated with the long straight CNFs and CNTs, and their mechanical properties were assessed using a three-phase constitutive model. Additionally, two distinct creep functions were adopted to characterize the mechanical features of CFRP and concrete in the framework of linear viscoelasticity. More details about the mesoscale and macroscale modeling of GANS reinforced concrete can be found in Table 3.

Table 3

Summary of mesoscale and macroscale analyses on GANS reinforced concrete

Matrix GNS type Method Influence on Highlights Year Ref.
Cement CNT FEM Constitutive behavior To best enhance the structural ductility and strength of CNT reinforced concrete, the optimal combinations for interfacial and mechanical properties of CNT are searched 2009 [118]
Cement CNT FEM Mechanical properties It is found that the enhancement of CNT reinforced cement becomes stronger and then weaker with the continuous increase in the percentage of CNT 2012 [119]
Concrete SWCNTs DQM Buckling behavior An original model for the concrete column with SWCNT is proposed, in which the Timoshenko and Euler-Bernoulli beam models are employed 2016 [116]
Cement CNTs FEM Fracture energy The CNT-cement composite’s size-independent fracture energy is determined using numerical analyses 2017 [120]
Cement GO Boundary nucleation-growth model (BNG) Nucleation-growth during hydration BNG [120] is used to mathematically describe the role of GO when it is regarded as a nucleation-growth site 2017 [121]
Concrete GMP FEM Flexural strength and tensile strength When MP was substituted with GMP in concrete, the results showed an improvement in the tensile strength of about 7% and the flexural strength of 1–3.7% 2017 [115]
UHPFRC Fiber DFEM Failure modes A discrete-continuum coupled finite element modeling method is developed to study the crushing, spalling, mortar cracking as well as fiber breakage behaviors of fiber reinforced concrete 2018 [122]
Concrete CNT FEM Conductive properties To simulate the CNT reinforced composites at an arbitrary strain state, a mixed micromechanics-FEM approach is presented 2018 [95]
Concrete CFRP FEM Creep behavior The influence of the number and thickness of CFRP strips, as well as the CNT mass fraction, are researched for the long-term behavior of concrete 2020 [117]
CRECC GO RSM Impact resistance The predictive models for initial and ultimate impact energy of GOCRECC are proposed. It is indicated that optimal amounts of GO and CR by cement weight added in the composite are 0.0347% and 5%, respectively 2021 [112]
HVFA concrete GNP RSM Mechanical properties For the strengths of HVFA concrete, the adverse effects of fly ash and PW can be significantly mitigated by adding GNP in the concrete 2021 [113]
Functionally graded composite beams GO MM Bending behavior A multiquadric radial basis function-based meshless collocation method is applied to assess the mechanical responses of GO powder reinforced functionally graded composite beams 2021 [97]
Mortar rGO FEM Cracking index The mechanical properties obtained from experiments are adopted to research how rGO affects the damage process of concrete due to temperature stress 2022 [12]
Concrete Graphene flake FEM Microwave absorption Compared with conventional concrete blocks, the concrete reinforced by graphene-based hybrid nanocomposites has a stronger capability in terms of microwave absorption 2022 [108]
UHPFRC GNP DIM Fracture The cohesive elements with a nonlinear traction-separation law are applied to model the initiation and evolution of the fracture. The enhancement on the force responses of UHPFRC, which results from the addition of graphene nanoparticles, can be successfully predicted by the model 2022 [123]
Concrete CNTs FDM Electrical properties The electrical conductivity of concrete, which is reinforced by randomly dispersed carbon fibers, can be determined by the model 2023 [124]

4 Multiscale methodologies of GANS reinforced concrete

4.1 Multiscale models combining GANS with matrix

In order to precisely describe the physics of GANS based materials at various length scales, some researchers [125,126,127,128] proposed a series of coupling methods by combining MM/MD with FEM. Wei and Kysar [129] developed a multiscale method based on FEM to build the connections between macroscopic graphene membrane deformations with C–C interatomic behaviors. Then, many works [130,131,132,133,134,135] used the theory to model the multiscale behaviors of GANS based composite structures. However, it is still difficult to capture the nanoscale characteristics of all components (matrix, fiber, filler, interphase) of composites. For this reason, some literature [130,136,137,138] simplified the composite materials as a multiscale system, in which some components such as matrix as well as fibers were considered at the macro-scale level while the other constituents were modeled at the nanoscale level. Among the works, most of the simulations adopted strategies that involve representing GANS as a lattice frame structure. In the structure, GANS are discretized with one-dimensional truss elements, while the matrix is represented by the continuous three-dimensional solid elements. This method can also be called the unit cell method or RVE method [139], which is also introduced in Section 3.1. In the RVE, as shown in Figure 10, the GANS and the matrix can be connected using van der Waals interaction forces [138]. When the deflection exceeds a certain threshold, the interface bonds (truss elements) that connect GANS and the matrix can be removed. Apart from the spring element, various other types of elements have been developed to model carbon nanostructures and C–C bonds in GANS, which are applicable to different problems [128]. The elements for representing carbon nanostructures are summarized in Table 4.

Figure 10 Multiscale model of graphene reinforced composites: Carbon atoms, covalent bonds, L–J potential, and the polymer matrix are represented by nodes, Timoshenko beams, truss elements, and 3D solid elements, respectively [138].
Figure 10

Multiscale model of graphene reinforced composites: Carbon atoms, covalent bonds, L–J potential, and the polymer matrix are represented by nodes, Timoshenko beams, truss elements, and 3D solid elements, respectively [138].

Table 4

Elements for representing C–C bonds and carbon nanostructures in GANS

Element type Highlights Structure Ref.
CC-beams It is a type of element that can model the C–C bonds’ tension, bending, and torsion behaviors. It also has the benefits of simple implementation and high efficiency Six beam elements are used to depict the hexagonal lattice of graphene [141,142]
CC-springs The geometrical properties of spring elements depend on the natural characteristics of C–C bonds. It is more suitable for modeling the nonlinear behavior of carbon nanostructures The hexagonal is composed of 12 spring elements, wherein 6 elements simulate translations and the remaining 6 elements simulate angular variations [143,144]
CC-TRF The C–C bonds are modeled with truss, rod, and frame elements in the method A hexagonal cell of graphene is also represented by 12 elements, where 6 elements are used for representing stretching while the remaining 6 elements are used to depict in-plane bending [145]
2D-Elem Two-dimensional elements such as plane strain, plane stress, and plate elements are adopted — [146,147]
Shell-Ele Shell-type elements are applied to express the graphene-based nanostructures — [140,148,149,150]
3D-Ele The nanostructure of GANS is represented by three-dimensional solid elements, for example, hexahedral and tetrahedral elements — [151,152,153]
Axisym-Elem Axisymmetric elements are used in the model — [154,155]
Spec-Elem Special-purpose elements are introduced to meet specific requirements — [156,157]

Although the atomistic simulation and the beam finite elements can accurately characterize the structure of GANS, they are very time-consuming in the multiscale modeling. To solve this problem, a continuum mechanics surrogate model was proposed by Papadopoulos et al. [140] for the simulation of graphene. To reproduce the shell-type structural behavior of graphene platelets, the work presented an equivalent shell element as the substitute of the detailed molecular dynamics models for graphene. This shell finite element model of graphene is proven to be capable of effectively representing both its membrane and plate behaviors. As plotted in Figure 11, the features of the graphene particles, including the random wrinkling behavior, and the delamination and debonding phenomena, can be well simulated. Apart from the mentioned elements, various other types of elements have been developed to represent C–C bonds and carbon nanostructures in GANS, which are applicable for different problems [128].

Figure 11 Tensile stress distributions on a single-layer graphene sheet: wrinkled (left) and straight (right) [140].
Figure 11

Tensile stress distributions on a single-layer graphene sheet: wrinkled (left) and straight (right) [140].

4.2 Multiscale models with multilevel equivalence

The properties of concrete at a higher scale depend on those of the components at a lower scale. Hence, many researches were devoted to revealing the mechanical response mechanisms of concrete from the nanoscale to the macroscale. As shown in Figure 12, Eftekhari and Mohammadi [158] explained the dynamic behaviors of CNT reinforced concrete from different scale perspectives, i.e., nanoscale, microscale, mesoscale, and macroscale. On the nanoscale, the molecular structure of CNT was carefully modeled using the MD approach. Then, the mean values of the results obtained from nanoscale simulations were applied to the microscale modeling of CNT reinforced cement. Then, the microscale FE simulation was carried out based on a particle kinetics chemical hydration theory. When the properties of cement are determined, the mesoscale analysis of concrete can be implemented. Finally, based on the equivalent properties calculated from the numerical results at the mesoscale, the global mechanical behavior at the macroscale can be studied via FEM. This multiscale modeling strategy was also adopted by many other works [159,160,161,162,163,164,165] to investigate the influence of the added graphene-based nanomaterials on concrete. Moreover, the fracture behavior of the CNT reinforced concrete at the mesoscale was studied by Eftekhari et al. [13] with the aid of MD and RVE simulations. It was observed that a remarkable delay occurred in the initiation and propagation of mixed-mode fractures.

Figure 12 The multiscale simulation for the fracture of a CNT-reinforced concrete [158].
Figure 12

The multiscale simulation for the fracture of a CNT-reinforced concrete [158].

Similarly, Papadopoulos and Impraimakis [166] evaluated the nonlinear constitutive relationship of CNTs reinforced concrete using hierarchical RVEs, which were in accordance with the material’s microstructural topology. As can be seen in Figure 13, several RVEs with different sizes were constructed in the hierarchical multiscale modeling strategy. The lowest nanoscale RVE1, which is initially resolved, only contains CNTs and the cement paste. The computational homogenization on the lower RVE can result in an equivalent “enhanced” cement paste, which is utilized in the higher RVE. Moreover, the aggregates of different dimensions (from 0.125 to 32 mm) can be considered in the corresponding RVEs. Based on the information passed through scales, both elastic and inelastic analyses of concrete can be performed on all scales.

Figure 13 Hierarchical RVEs for cementitious composites with (a) RVE1 CNTs (RVE1), (b) aggregates smaller than 2 mm (RVE2), (c) aggregates smaller than 8 mm (RVE3), and (d) aggregates smaller than 32 mm (RVE4) [166].
Figure 13

Hierarchical RVEs for cementitious composites with (a) RVE1 CNTs (RVE1), (b) aggregates smaller than 2 mm (RVE2), (c) aggregates smaller than 8 mm (RVE3), and (d) aggregates smaller than 32 mm (RVE4) [166].

Wang et al. [167] developed a multiscale modeling method involving the length-scale integration, and further verified its ability to obtain the effective properties by upscaling. Based on this upscaling process, the properties of cement mortar can be estimated using Mori–Tanaka and self-consistent approaches [168]. Then, the meshless technique can be applied to estimate the material parameters of CNT reinforced cementitious composites at the macroscale.

4.3 Machine learning

With the development of machine learning, the technique began to be applied to the prediction of multiscale behaviors of concrete [169,170,171,172]. Lyngdoh and Das [173] combined machine learning (forward neural network) with a validated FEM-based multiscale modeling framework to estimate the strain-sensing performance of self-sensing concrete which is reinforced by nano-engineered materials. This model, as illustrated in Figure 14, showed excellent efficiency in the prediction of the electromechanical response. Lu et al. [174] also outlined a data-driven computational homogenization method that can be used in the simulation for the electrical responses of graphene-reinforced composites. The related works based on other machine learning techniques, such as deep convolutional neural network, fully convolutional network, and support vector machine, can be found in the previous literature [175,176,177].

Figure 14 A technique combining multiscale numerical modeling with machine learning [173].
Figure 14

A technique combining multiscale numerical modeling with machine learning [173].

5 Conclusion

In the present work, an extensive overview of the numerical modeling techniques and strategies for GANS reinforced concrete is presented. The numerical works considering the geometry characteristics, material properties, constitutive models, internal components of GANS reinforced concrete are discussed at different spatial scales. The following conclusions can be drawn based on the review:

  1. GANS reinforced concrete is a type of composites with complex performance at different scales. The addition of GANS has a significant influence on concrete in many aspects, including the mechanical behaviors, transport properties, and failure mechanisms. GANS have the potential to increase the bulk modulus, shear modulus, and Young’s modulus of concrete, resulting in the larger strengths of concrete. Additionally, the durability of concrete can be improved by GANS by lowering the ion and water migration in CSH gel. The enhancement of GANS reinforced composites at the nanoscale and microscale is significantly greater compared to that at the macroscale, primarily attributed to defects present across multiple scales. Generally, the appropriate addition of GANS can lead to an improvement of the properties for concrete, while excessive GANS may cause harm to the cementitious composites.

  2. In nanoscale and microscale modeling, the structure of cementitious composites can be generated using quantum mechanics and molecular dynamics methods. The interfacial bonding and mechanical performance of GANS reinforced cement can be predicted using MD simulation. The force fields developed for cementitious composites can be adopted to analyze the microscale behavior of GANS reinforced concrete. As for the mesoscale and macroscale modeling, many numerical methods can be used to study the material’s physical and chemical performance, such as the FEM, meshfree method, and DEM. The equivalent properties of RVE obtained from physical experiments and homogenization strategies can be applied to understand the mechanical response mechanism of concrete at a large scale.

  3. In the global simulation of concrete considering the distribution of GANS, a series of elements, such as the truss elements and beam elements, can be used as efficient and reliable tools to characterize the chemical bonds and nanostructures of GANS. Hence, multiscale modeling can be achieved in the framework of FEM. Another multiscale modeling strategy is passing the material parameters between the RVEs at different levels. It helps to understand the performance of concrete at all scales and the relationships between material parameters at different scales. Moreover, machine learning has become a popular mode to study the multiscale response of GANS incorporated concrete. Nevertheless, very limited research was devoted on the multiscale performance of GANS reinforced concrete. More efficient and accurate models need to be developed to reveal the effects of GANS on the macroscale response of concrete structure.

In conclusion, GANS can drive the enhancement of cementitious materials and support the development of construction industry. Moreover, numerical modeling can help in the design and optimization of GANS reinforced cementitious materials, by providing a thorough understanding of their mechanical, structural, and transport properties. The introduction of GANS into concrete production provides a pathway for a more substantial future and great opportunities for construction engineering.

Acknowledgements

Financial support by the National Key R&D Program of China (No. 2022YFC3005505) and the National Natural Science Foundation of China (Nos U2040223 and 51979207), is gratefully acknowledged.

  1. Funding information: The National Key R&D Program of China (No. 2022YFC3005505) and the National Natural Science Foundation of China (Nos U2040223 and 51979207).

  2. Author contributions: All authors have accepted responsibility for the entire content of this manuscript and approved its submission.

  3. Conflict of interest: The authors state no conflict of interest.

  4. Data availability statement: All data generated or analysed during this study are included in this published article.

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Received: 2024-02-05
Revised: 2024-04-14
Accepted: 2024-04-30
Published Online: 2024-06-04

© 2024 the author(s), published by De Gruyter

This work is licensed under the Creative Commons Attribution 4.0 International License.

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  45. Multicriteria-based optimization of roller compacted concrete pavement containing crumb rubber and nano-silica
  46. Revisiting hydrotalcite synthesis: Efficient combined mechanochemical/coprecipitation synthesis to design advanced tunable basic catalysts
  47. Exploration of irreversibility process and thermal energy of a tetra hybrid radiative binary nanofluid focusing on solar implementations
  48. Effect of graphene oxide on the properties of ternary limestone clay cement paste
  49. Improved mechanical properties of graphene-modified basalt fibre–epoxy composites
  50. Sodium titanate nanostructured modified by green synthesis of iron oxide for highly efficient photodegradation of dye contaminants
  51. Green synthesis of Vitis vinifera extract-appended magnesium oxide NPs for biomedical applications
  52. Differential study on the thermal–physical properties of metal and its oxide nanoparticle-formed nanofluids: Molecular dynamics simulation investigation of argon-based nanofluids
  53. Heat convection and irreversibility of magneto-micropolar hybrid nanofluids within a porous hexagonal-shaped enclosure having heated obstacle
  54. Numerical simulation and optimization of biological nanocomposite system for enhanced oil recovery
  55. Laser ablation and chemical vapor deposition to prepare a nanostructured PPy layer on the Ti surface
  56. Cilostazol niosomes-loaded transdermal gels: An in vitro and in vivo anti-aggregant and skin permeation activity investigations towards preparing an efficient nanoscale formulation
  57. Linear and nonlinear optical studies on successfully mixed vanadium oxide and zinc oxide nanoparticles synthesized by sol–gel technique
  58. Analytical investigation of convective phenomena with nonlinearity characteristics in nanostratified liquid film above an inclined extended sheet
  59. Optimization method for low-velocity impact identification in nanocomposite using genetic algorithm
  60. Analyzing the 3D-MHD flow of a sodium alginate-based nanofluid flow containing alumina nanoparticles over a bi-directional extending sheet using variable porous medium and slip conditions
  61. A comprehensive study of laser irradiated hydrothermally synthesized 2D layered heterostructure V2O5(1−x)MoS2(x) (X = 1–5%) nanocomposites for photocatalytic application
  62. Computational analysis of water-based silver, copper, and alumina hybrid nanoparticles over a stretchable sheet embedded in a porous medium with thermophoretic particle deposition effects
  63. A deep dive into AI integration and advanced nanobiosensor technologies for enhanced bacterial infection monitoring
  64. Effects of normal strain on pyramidal I and II 〈c + a〉 screw dislocation mobility and structure in single-crystal magnesium
  65. Computational study of cross-flow in entropy-optimized nanofluids
  66. Significance of nanoparticle aggregation for thermal transport over magnetized sensor surface
  67. A green and facile synthesis route of nanosize cupric oxide at room temperature
  68. Effect of annealing time on bending performance and microstructure of C19400 alloy strip
  69. Chitosan-based Mupirocin and Alkanna tinctoria extract nanoparticles for the management of burn wound: In vitro and in vivo characterization
  70. Electrospinning of MNZ/PLGA/SF nanofibers for periodontitis
  71. Photocatalytic degradation of methylene blue by Nd-doped titanium dioxide thin films
  72. Shell-core-structured electrospinning film with sequential anti-inflammatory and pro-neurogenic effects for peripheral nerve repairment
  73. Flow and heat transfer insights into a chemically reactive micropolar Williamson ternary hybrid nanofluid with cross-diffusion theory
  74. One-pot fabrication of open-spherical shapes based on the decoration of copper sulfide/poly-O-amino benzenethiol on copper oxide as a promising photocathode for hydrogen generation from the natural source of Red Sea water
  75. A penta-hybrid approach for modeling the nanofluid flow in a spatially dependent magnetic field
  76. Advancing sustainable agriculture: Metal-doped urea–hydroxyapatite hybrid nanofertilizer for agro-industry
  77. Utilizing Ziziphus spina-christi for eco-friendly synthesis of silver nanoparticles: Antimicrobial activity and promising application in wound healing
  78. Plant-mediated synthesis, characterization, and evaluation of a copper oxide/silicon dioxide nanocomposite by an antimicrobial study
  79. Effects of PVA fibers and nano-SiO2 on rheological properties of geopolymer mortar
  80. Investigating silver and alumina nanoparticles’ impact on fluid behavior over porous stretching surface
  81. Potential pharmaceutical applications and molecular docking study for green fabricated ZnO nanoparticles mediated Raphanus sativus: In vitro and in vivo study
  82. Effect of temperature and nanoparticle size on the interfacial layer thickness of TiO2–water nanofluids using molecular dynamics
  83. Characteristics of induced magnetic field on the time-dependent MHD nanofluid flow through parallel plates
  84. Flexural and vibration behaviours of novel covered CFRP composite joints with an MWCNT-modified adhesive
  85. Experimental research on mechanically and thermally activation of nano-kaolin to improve the properties of ultra-high-performance fiber-reinforced concrete
  86. Analysis of variable fluid properties for three-dimensional flow of ternary hybrid nanofluid on a stretching sheet with MHD effects
  87. Biodegradability of corn starch films containing nanocellulose fiber and thymol
  88. Toxicity assessment of copper oxide nanoparticles: In vivo study
  89. Some measures to enhance the energy output performances of triboelectric nanogenerators
  90. Reinforcement of graphene nanoplatelets on water uptake and thermomechanical behaviour of epoxy adhesive subjected to water ageing conditions
  91. Optimization of preparation parameters and testing verification of carbon nanotube suspensions used in concrete
  92. Max-phase Ti3SiC2 and diverse nanoparticle reinforcements for enhancement of the mechanical, dynamic, and microstructural properties of AA5083 aluminum alloy via FSP
  93. Advancing drug delivery: Neural network perspectives on nanoparticle-mediated treatments for cancerous tissues
  94. PEG-PLGA core–shell nanoparticles for the controlled delivery of picoplatin–hydroxypropyl β-cyclodextrin inclusion complex in triple-negative breast cancer: In vitro and in vivo study
  95. Conduction transportation from graphene to an insulative polymer medium: A novel approach for the conductivity of nanocomposites
  96. Review Articles
  97. Developments of terahertz metasurface biosensors: A literature review
  98. Overview of amorphous carbon memristor device, modeling, and applications for neuromorphic computing
  99. Advances in the synthesis of gold nanoclusters (AuNCs) of proteins extracted from nature
  100. A review of ternary polymer nanocomposites containing clay and calcium carbonate and their biomedical applications
  101. Recent advancements in polyoxometalate-functionalized fiber materials: A review
  102. Special contribution of atomic force microscopy in cell death research
  103. A comprehensive review of oral chitosan drug delivery systems: Applications for oral insulin delivery
  104. Cellular senescence and nanoparticle-based therapies: Current developments and perspectives
  105. Cyclodextrins-block copolymer drug delivery systems: From design and development to preclinical studies
  106. Micelle-based nanoparticles with stimuli-responsive properties for drug delivery
  107. Critical assessment of the thermal stability and degradation of chemically functionalized nanocellulose-based polymer nanocomposites
  108. Research progress in preparation technology of micro and nano titanium alloy powder
  109. Nanoformulations for lysozyme-based additives in animal feed: An alternative to fight antibiotic resistance spread
  110. Incorporation of organic photochromic molecules in mesoporous silica materials: Synthesis and applications
  111. A review on modeling of graphene and associated nanostructures reinforced concrete
  112. A review on strengthening mechanisms of carbon quantum dots-reinforced Cu-matrix nanocomposites
  113. Review on nanocellulose composites and CNFs assembled microfiber toward automotive applications
  114. Nanomaterial coating for layered lithium rich transition metal oxide cathode for lithium-ion battery
  115. Application of AgNPs in biomedicine: An overview and current trends
  116. Nanobiotechnology and microbial influence on cold adaptation in plants
  117. Hepatotoxicity of nanomaterials: From mechanism to therapeutic strategy
  118. Applications of micro-nanobubble and its influence on concrete properties: An in-depth review
  119. A comprehensive systematic literature review of ML in nanotechnology for sustainable development
  120. Exploiting the nanotechnological approaches for traditional Chinese medicine in childhood rhinitis: A review of future perspectives
  121. Twisto-photonics in two-dimensional materials: A comprehensive review
  122. Current advances of anticancer drugs based on solubilization technology
  123. Recent process of using nanoparticles in the T cell-based immunometabolic therapy
  124. Future prospects of gold nanoclusters in hydrogen storage systems and sustainable environmental treatment applications
  125. Preparation, types, and applications of one- and two-dimensional nanochannels and their transport properties for water and ions
  126. Microstructural, mechanical, and corrosion characteristics of Mg–Gd–x systems: A review of recent advancements
  127. Functionalized nanostructures and targeted delivery systems with a focus on plant-derived natural agents for COVID-19 therapy: A review and outlook
  128. Mapping evolution and trends of cell membrane-coated nanoparticles: A bibliometric analysis and scoping review
  129. Nanoparticles and their application in the diagnosis of hepatocellular carcinoma
  130. In situ growth of carbon nanotubes on fly ash substrates
  131. Structural performance of boards through nanoparticle reinforcement: An advance review
  132. Reinforcing mechanisms review of the graphene oxide on cement composites
  133. Seed regeneration aided by nanomaterials in a climate change scenario: A comprehensive review
  134. Surface-engineered quantum dot nanocomposites for neurodegenerative disorder remediation and avenue for neuroimaging
  135. Graphitic carbon nitride hybrid thin films for energy conversion: A mini-review on defect activation with different materials
  136. Nanoparticles and the treatment of hepatocellular carcinoma
  137. Special Issue on Advanced Nanomaterials and Composites for Energy Conversion and Storage - Part II
  138. Highly safe lithium vanadium oxide anode for fast-charging dendrite-free lithium-ion batteries
  139. Recent progress in nanomaterials of battery energy storage: A patent landscape analysis, technology updates, and future prospects
  140. Special Issue on Advanced Nanomaterials for Carbon Capture, Environment and Utilization for Energy Sustainability - Part II
  141. Calcium-, magnesium-, and yttrium-doped lithium nickel phosphate nanomaterials as high-performance catalysts for electrochemical water oxidation reaction
  142. Low alkaline vegetation concrete with silica fume and nano-fly ash composites to improve the planting properties and soil ecology
  143. Mesoporous silica-grafted deep eutectic solvent-based mixed matrix membranes for wastewater treatment: Synthesis and emerging pollutant removal performance
  144. Electrochemically prepared ultrathin two-dimensional graphitic nanosheets as cathodes for advanced Zn-based energy storage devices
  145. Enhanced catalytic degradation of amoxicillin by phyto-mediated synthesised ZnO NPs and ZnO-rGO hybrid nanocomposite: Assessment of antioxidant activity, adsorption, and thermodynamic analysis
  146. Incorporating GO in PI matrix to advance nanocomposite coating: An enhancing strategy to prevent corrosion
  147. Synthesis, characterization, thermal stability, and application of microporous hyper cross-linked polyphosphazenes with naphthylamine group for CO2 uptake
  148. Engineering in ceramic albite morphology by the addition of additives: Carbon nanotubes and graphene oxide for energy applications
  149. Nanoscale synergy: Optimizing energy storage with SnO2 quantum dots on ZnO hexagonal prisms for advanced supercapacitors
  150. Aging assessment of silicone rubber materials under corona discharge accompanied by humidity and UV radiation
  151. Tuning structural and electrical properties of Co-precipitated and Cu-incorporated nickel ferrite for energy applications
  152. Sodium alginate-supported AgSr nanoparticles for catalytic degradation of malachite green and methyl orange in aqueous medium
  153. An environmentally greener and reusability approach for bioenergy production using Mallotus philippensis (Kamala) seed oil feedstock via phytonanotechnology
  154. Micro-/nano-alumina trihydrate and -magnesium hydroxide fillers in RTV-SR composites under electrical and environmental stresses
  155. Mechanism exploration of ion-implanted epoxy on surface trap distribution: An approach to augment the vacuum flashover voltages
  156. Nanoscale engineering of semiconductor photocatalysts boosting charge separation for solar-driven H2 production: Recent advances and future perspective
  157. Excellent catalytic performance over reduced graphene-boosted novel nanoparticles for oxidative desulfurization of fuel oil
  158. Special Issue on Advances in Nanotechnology for Agriculture
  159. Deciphering the synergistic potential of mycogenic zinc oxide nanoparticles and bio-slurry formulation on phenology and physiology of Vigna radiata
  160. Nanomaterials: Cross-disciplinary applications in ornamental plants
  161. Special Issue on Catechol Based Nano and Microstructures
  162. Polydopamine films: Versatile but interface-dependent coatings
  163. In vitro anticancer activity of melanin-like nanoparticles for multimodal therapy of glioblastoma
  164. Poly-3,4-dihydroxybenzylidenhydrazine, a different analogue of polydopamine
  165. Chirality and self-assembly of structures derived from optically active 1,2-diaminocyclohexane and catecholamines
  166. Advancing resource sustainability with green photothermal materials: Insights from organic waste-derived and bioderived sources
  167. Bioinspired neuromelanin-like Pt(iv) polymeric nanoparticles for cancer treatment
  168. Special Issue on Implementing Nanotechnology for Smart Healthcare System
  169. Intelligent explainable optical sensing on Internet of nanorobots for disease detection
  170. Special Issue on Green Mono, Bi and Tri Metallic Nanoparticles for Biological and Environmental Applications
  171. Tracking success of interaction of green-synthesized Carbopol nanoemulgel (neomycin-decorated Ag/ZnO nanocomposite) with wound-based MDR bacteria
  172. Green synthesis of copper oxide nanoparticles using genus Inula and evaluation of biological therapeutics and environmental applications
  173. Biogenic fabrication and multifunctional therapeutic applications of silver nanoparticles synthesized from rose petal extract
  174. Metal oxides on the frontlines: Antimicrobial activity in plant-derived biometallic nanoparticles
  175. Controlling pore size during the synthesis of hydroxyapatite nanoparticles using CTAB by the sol–gel hydrothermal method and their biological activities
  176. Special Issue on State-of-Art Advanced Nanotechnology for Healthcare
  177. Applications of nanomedicine-integrated phototherapeutic agents in cancer theranostics: A comprehensive review of the current state of research
  178. Smart bionanomaterials for treatment and diagnosis of inflammatory bowel disease
  179. Beyond conventional therapy: Synthesis of multifunctional nanoparticles for rheumatoid arthritis therapy
https://doi.org/10.1515/ntrev-2024-0033
Keywords for this article
graphene; cement composites; concrete; numerical modeling; multiscale behavior
Creative Commons
BY 4.0

Articles in the same Issue

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  3. Polyvinylpyrrolidone-stabilised gold nanoparticle coatings inhibit blood protein adsorption
  4. Energy and mass transmission through hybrid nanofluid flow passing over a spinning sphere with magnetic effect and heat source/sink
  5. Surface treatment with nano-silica and magnesium potassium phosphate cement co-action for enhancing recycled aggregate concrete
  6. Numerical investigation of thermal radiation with entropy generation effects in hybrid nanofluid flow over a shrinking/stretching sheet
  7. Enhancing the performance of thermal energy storage by adding nano-particles with paraffin phase change materials
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  10. Dual numerical solutions of Casson SA–hybrid nanofluid toward a stagnation point flow over stretching/shrinking cylinder
  11. Single flake homo p–n diode of MoTe2 enabled by oxygen plasma doping
  12. Electrostatic self-assembly effect of Fe3O4 nanoparticles on performance of carbon nanotubes in cement-based materials
  13. Multi-scale alignment to buried atom-scale devices using Kelvin probe force microscopy
  14. Antibacterial, mechanical, and dielectric properties of hydroxyapatite cordierite/zirconia porous nanocomposites for use in bone tissue engineering applications
  15. Time-dependent Darcy–Forchheimer flow of Casson hybrid nanofluid comprising the CNTs through a Riga plate with nonlinear thermal radiation and viscous dissipation
  16. Durability prediction of geopolymer mortar reinforced with nanoparticles and PVA fiber using particle swarm optimized BP neural network
  17. Utilization of zein nano-based system for promoting antibiofilm and anti-virulence activities of curcumin against Pseudomonas aeruginosa
  18. Antibacterial effect of novel dental resin composites containing rod-like zinc oxide
  19. An extended model to assess Jeffery–Hamel blood flow through arteries with iron-oxide (Fe2O3) nanoparticles and melting effects: Entropy optimization analysis
  20. Comparative study of copper nanoparticles over radially stretching sheet with water and silicone oil
  21. Cementitious composites modified by nanocarbon fillers with cooperation effect possessing excellent self-sensing properties
  22. Confinement size effect on dielectric properties, antimicrobial activity, and recycling of TiO2 quantum dots via photodegradation processes of Congo red dye and real industrial textile wastewater
  23. Biogenic silver nanoparticles of Moringa oleifera leaf extract: Characterization and photocatalytic application
  24. Novel integrated structure and function of Mg–Gd neutron shielding materials
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  26. Magnetized water-based hybrid nanofluid flow over an exponentially stretching sheet with thermal convective and mass flux conditions: HAM solution
  27. A numerical investigation of the two-dimensional magnetohydrodynamic water-based hybrid nanofluid flow composed of Fe3O4 and Au nanoparticles over a heated surface
  28. Development and modeling of an ultra-robust TPU-MWCNT foam with high flexibility and compressibility
  29. Effects of nanofillers on the physical, mechanical, and tribological behavior of carbon/kenaf fiber–reinforced phenolic composites
  30. Polymer nanocomposite for protecting photovoltaic cells from solar ultraviolet in space
  31. Study on the mechanical properties and microstructure of recycled concrete reinforced with basalt fibers and nano-silica in early low-temperature environments
  32. Synergistic effect of carbon nanotubes and polyvinyl alcohol on the mechanical performance and microstructure of cement mortar
  33. CFD analysis of paraffin-based hybrid (Co–Au) and trihybrid (Co–Au–ZrO2) nanofluid flow through a porous medium
  34. Forced convective tangent hyperbolic nanofluid flow subject to heat source/sink and Lorentz force over a permeable wedge: Numerical exploration
  35. Physiochemical and electrical activities of nano copper oxides synthesised via hydrothermal method utilising natural reduction agents for solar cell application
  36. A homotopic analysis of the blood-based bioconvection Carreau–Yasuda hybrid nanofluid flow over a stretching sheet with convective conditions
  37. In situ synthesis of reduced graphene oxide/SnIn4S8 nanocomposites with enhanced photocatalytic performance for pollutant degradation
  38. A coarse-grained Poisson–Nernst–Planck model for polyelectrolyte-modified nanofluidic diodes
  39. A numerical investigation of the magnetized water-based hybrid nanofluid flow over an extending sheet with a convective condition: Active and passive controls of nanoparticles
  40. The LyP-1 cyclic peptide modified mesoporous polydopamine nanospheres for targeted delivery of triptolide regulate the macrophage repolarization in atherosclerosis
  41. Synergistic effect of hydroxyapatite-magnetite nanocomposites in magnetic hyperthermia for bone cancer treatment
  42. The significance of quadratic thermal radiative scrutinization of a nanofluid flow across a microchannel with thermophoretic particle deposition effects
  43. Ferromagnetic effect on Casson nanofluid flow and transport phenomena across a bi-directional Riga sensor device: Darcy–Forchheimer model
  44. Performance of carbon nanomaterials incorporated with concrete exposed to high temperature
  45. Multicriteria-based optimization of roller compacted concrete pavement containing crumb rubber and nano-silica
  46. Revisiting hydrotalcite synthesis: Efficient combined mechanochemical/coprecipitation synthesis to design advanced tunable basic catalysts
  47. Exploration of irreversibility process and thermal energy of a tetra hybrid radiative binary nanofluid focusing on solar implementations
  48. Effect of graphene oxide on the properties of ternary limestone clay cement paste
  49. Improved mechanical properties of graphene-modified basalt fibre–epoxy composites
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  51. Green synthesis of Vitis vinifera extract-appended magnesium oxide NPs for biomedical applications
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  53. Heat convection and irreversibility of magneto-micropolar hybrid nanofluids within a porous hexagonal-shaped enclosure having heated obstacle
  54. Numerical simulation and optimization of biological nanocomposite system for enhanced oil recovery
  55. Laser ablation and chemical vapor deposition to prepare a nanostructured PPy layer on the Ti surface
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  57. Linear and nonlinear optical studies on successfully mixed vanadium oxide and zinc oxide nanoparticles synthesized by sol–gel technique
  58. Analytical investigation of convective phenomena with nonlinearity characteristics in nanostratified liquid film above an inclined extended sheet
  59. Optimization method for low-velocity impact identification in nanocomposite using genetic algorithm
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  61. A comprehensive study of laser irradiated hydrothermally synthesized 2D layered heterostructure V2O5(1−x)MoS2(x) (X = 1–5%) nanocomposites for photocatalytic application
  62. Computational analysis of water-based silver, copper, and alumina hybrid nanoparticles over a stretchable sheet embedded in a porous medium with thermophoretic particle deposition effects
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  65. Computational study of cross-flow in entropy-optimized nanofluids
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  69. Chitosan-based Mupirocin and Alkanna tinctoria extract nanoparticles for the management of burn wound: In vitro and in vivo characterization
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  71. Photocatalytic degradation of methylene blue by Nd-doped titanium dioxide thin films
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  78. Plant-mediated synthesis, characterization, and evaluation of a copper oxide/silicon dioxide nanocomposite by an antimicrobial study
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  80. Investigating silver and alumina nanoparticles’ impact on fluid behavior over porous stretching surface
  81. Potential pharmaceutical applications and molecular docking study for green fabricated ZnO nanoparticles mediated Raphanus sativus: In vitro and in vivo study
  82. Effect of temperature and nanoparticle size on the interfacial layer thickness of TiO2–water nanofluids using molecular dynamics
  83. Characteristics of induced magnetic field on the time-dependent MHD nanofluid flow through parallel plates
  84. Flexural and vibration behaviours of novel covered CFRP composite joints with an MWCNT-modified adhesive
  85. Experimental research on mechanically and thermally activation of nano-kaolin to improve the properties of ultra-high-performance fiber-reinforced concrete
  86. Analysis of variable fluid properties for three-dimensional flow of ternary hybrid nanofluid on a stretching sheet with MHD effects
  87. Biodegradability of corn starch films containing nanocellulose fiber and thymol
  88. Toxicity assessment of copper oxide nanoparticles: In vivo study
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  90. Reinforcement of graphene nanoplatelets on water uptake and thermomechanical behaviour of epoxy adhesive subjected to water ageing conditions
  91. Optimization of preparation parameters and testing verification of carbon nanotube suspensions used in concrete
  92. Max-phase Ti3SiC2 and diverse nanoparticle reinforcements for enhancement of the mechanical, dynamic, and microstructural properties of AA5083 aluminum alloy via FSP
  93. Advancing drug delivery: Neural network perspectives on nanoparticle-mediated treatments for cancerous tissues
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  96. Review Articles
  97. Developments of terahertz metasurface biosensors: A literature review
  98. Overview of amorphous carbon memristor device, modeling, and applications for neuromorphic computing
  99. Advances in the synthesis of gold nanoclusters (AuNCs) of proteins extracted from nature
  100. A review of ternary polymer nanocomposites containing clay and calcium carbonate and their biomedical applications
  101. Recent advancements in polyoxometalate-functionalized fiber materials: A review
  102. Special contribution of atomic force microscopy in cell death research
  103. A comprehensive review of oral chitosan drug delivery systems: Applications for oral insulin delivery
  104. Cellular senescence and nanoparticle-based therapies: Current developments and perspectives
  105. Cyclodextrins-block copolymer drug delivery systems: From design and development to preclinical studies
  106. Micelle-based nanoparticles with stimuli-responsive properties for drug delivery
  107. Critical assessment of the thermal stability and degradation of chemically functionalized nanocellulose-based polymer nanocomposites
  108. Research progress in preparation technology of micro and nano titanium alloy powder
  109. Nanoformulations for lysozyme-based additives in animal feed: An alternative to fight antibiotic resistance spread
  110. Incorporation of organic photochromic molecules in mesoporous silica materials: Synthesis and applications
  111. A review on modeling of graphene and associated nanostructures reinforced concrete
  112. A review on strengthening mechanisms of carbon quantum dots-reinforced Cu-matrix nanocomposites
  113. Review on nanocellulose composites and CNFs assembled microfiber toward automotive applications
  114. Nanomaterial coating for layered lithium rich transition metal oxide cathode for lithium-ion battery
  115. Application of AgNPs in biomedicine: An overview and current trends
  116. Nanobiotechnology and microbial influence on cold adaptation in plants
  117. Hepatotoxicity of nanomaterials: From mechanism to therapeutic strategy
  118. Applications of micro-nanobubble and its influence on concrete properties: An in-depth review
  119. A comprehensive systematic literature review of ML in nanotechnology for sustainable development
  120. Exploiting the nanotechnological approaches for traditional Chinese medicine in childhood rhinitis: A review of future perspectives
  121. Twisto-photonics in two-dimensional materials: A comprehensive review
  122. Current advances of anticancer drugs based on solubilization technology
  123. Recent process of using nanoparticles in the T cell-based immunometabolic therapy
  124. Future prospects of gold nanoclusters in hydrogen storage systems and sustainable environmental treatment applications
  125. Preparation, types, and applications of one- and two-dimensional nanochannels and their transport properties for water and ions
  126. Microstructural, mechanical, and corrosion characteristics of Mg–Gd–x systems: A review of recent advancements
  127. Functionalized nanostructures and targeted delivery systems with a focus on plant-derived natural agents for COVID-19 therapy: A review and outlook
  128. Mapping evolution and trends of cell membrane-coated nanoparticles: A bibliometric analysis and scoping review
  129. Nanoparticles and their application in the diagnosis of hepatocellular carcinoma
  130. In situ growth of carbon nanotubes on fly ash substrates
  131. Structural performance of boards through nanoparticle reinforcement: An advance review
  132. Reinforcing mechanisms review of the graphene oxide on cement composites
  133. Seed regeneration aided by nanomaterials in a climate change scenario: A comprehensive review
  134. Surface-engineered quantum dot nanocomposites for neurodegenerative disorder remediation and avenue for neuroimaging
  135. Graphitic carbon nitride hybrid thin films for energy conversion: A mini-review on defect activation with different materials
  136. Nanoparticles and the treatment of hepatocellular carcinoma
  137. Special Issue on Advanced Nanomaterials and Composites for Energy Conversion and Storage - Part II
  138. Highly safe lithium vanadium oxide anode for fast-charging dendrite-free lithium-ion batteries
  139. Recent progress in nanomaterials of battery energy storage: A patent landscape analysis, technology updates, and future prospects
  140. Special Issue on Advanced Nanomaterials for Carbon Capture, Environment and Utilization for Energy Sustainability - Part II
  141. Calcium-, magnesium-, and yttrium-doped lithium nickel phosphate nanomaterials as high-performance catalysts for electrochemical water oxidation reaction
  142. Low alkaline vegetation concrete with silica fume and nano-fly ash composites to improve the planting properties and soil ecology
  143. Mesoporous silica-grafted deep eutectic solvent-based mixed matrix membranes for wastewater treatment: Synthesis and emerging pollutant removal performance
  144. Electrochemically prepared ultrathin two-dimensional graphitic nanosheets as cathodes for advanced Zn-based energy storage devices
  145. Enhanced catalytic degradation of amoxicillin by phyto-mediated synthesised ZnO NPs and ZnO-rGO hybrid nanocomposite: Assessment of antioxidant activity, adsorption, and thermodynamic analysis
  146. Incorporating GO in PI matrix to advance nanocomposite coating: An enhancing strategy to prevent corrosion
  147. Synthesis, characterization, thermal stability, and application of microporous hyper cross-linked polyphosphazenes with naphthylamine group for CO2 uptake
  148. Engineering in ceramic albite morphology by the addition of additives: Carbon nanotubes and graphene oxide for energy applications
  149. Nanoscale synergy: Optimizing energy storage with SnO2 quantum dots on ZnO hexagonal prisms for advanced supercapacitors
  150. Aging assessment of silicone rubber materials under corona discharge accompanied by humidity and UV radiation
  151. Tuning structural and electrical properties of Co-precipitated and Cu-incorporated nickel ferrite for energy applications
  152. Sodium alginate-supported AgSr nanoparticles for catalytic degradation of malachite green and methyl orange in aqueous medium
  153. An environmentally greener and reusability approach for bioenergy production using Mallotus philippensis (Kamala) seed oil feedstock via phytonanotechnology
  154. Micro-/nano-alumina trihydrate and -magnesium hydroxide fillers in RTV-SR composites under electrical and environmental stresses
  155. Mechanism exploration of ion-implanted epoxy on surface trap distribution: An approach to augment the vacuum flashover voltages
  156. Nanoscale engineering of semiconductor photocatalysts boosting charge separation for solar-driven H2 production: Recent advances and future perspective
  157. Excellent catalytic performance over reduced graphene-boosted novel nanoparticles for oxidative desulfurization of fuel oil
  158. Special Issue on Advances in Nanotechnology for Agriculture
  159. Deciphering the synergistic potential of mycogenic zinc oxide nanoparticles and bio-slurry formulation on phenology and physiology of Vigna radiata
  160. Nanomaterials: Cross-disciplinary applications in ornamental plants
  161. Special Issue on Catechol Based Nano and Microstructures
  162. Polydopamine films: Versatile but interface-dependent coatings
  163. In vitro anticancer activity of melanin-like nanoparticles for multimodal therapy of glioblastoma
  164. Poly-3,4-dihydroxybenzylidenhydrazine, a different analogue of polydopamine
  165. Chirality and self-assembly of structures derived from optically active 1,2-diaminocyclohexane and catecholamines
  166. Advancing resource sustainability with green photothermal materials: Insights from organic waste-derived and bioderived sources
  167. Bioinspired neuromelanin-like Pt(iv) polymeric nanoparticles for cancer treatment
  168. Special Issue on Implementing Nanotechnology for Smart Healthcare System
  169. Intelligent explainable optical sensing on Internet of nanorobots for disease detection
  170. Special Issue on Green Mono, Bi and Tri Metallic Nanoparticles for Biological and Environmental Applications
  171. Tracking success of interaction of green-synthesized Carbopol nanoemulgel (neomycin-decorated Ag/ZnO nanocomposite) with wound-based MDR bacteria
  172. Green synthesis of copper oxide nanoparticles using genus Inula and evaluation of biological therapeutics and environmental applications
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