Ab-initio simulation of the tensile strength of silicon nanofilms
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Yoshitaka Umeno
Abstract
Investigations of the relation between atomic configuration and strength at atomic and electronic level are important not only for understanding the fundamental deformation behavior of materials but also for application of materials to nanostructured devices. In this study, simulation of tension of silicon nanofilms under tensile stress was carried out using ab initio density functional theory calculation to investigate the effect of surface structure on tensile strength. Nanofilms with various surface orientations were examined. The theoretical tensile strength of Si nanofilms with a thickness of around 1.0 nm having (100) surfaces, which are flat with dimer-row structure, was only slightly lower than that of bulk Si. In contrast, surfaces with rather high Miller indices can significantly reduce critical strain owing to surface steps, indicating that such atomic-level structure affects the strength quite strongly.
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© 2009, Carl Hanser Verlag, München
Articles in the same Issue
- Contents
- Contents
- Feature
- Beyond fick's equations, an overview
- Review
- The high-temperature creep properties of materials processed using severe plastic deformation
- Nanostructuring of metallic materials by spd processing for advanced properties
- Basic
- Some factors affecting the creep behaviour of metallic materials processed by equal-channel angular pressing
- The elastic–plastic transition in nanograined polycrystals
- Synchrotron X-ray line-profile analysis experiments for the in-situ microstructural characterisation of SPD nanometals during tensile deformation
- Tensile and fatigue properties of sub-microcrystalline ultra-low carbon steel produced by hpt-straining
- Precipitation Effects in Ultra-Fine-Grained Mg–RE Alloys
- EBSD investigation of the grain boundary distributions in ultrafine-grained Cu and Cu–Zr polycrystals prepared by equal-channel angular pressing
- Acoustic emission study of the deformation behaviour of magnesium sheets
- Mechanical properties of pure titanium and Ti-6Al-4V alloys with a new tailored nano/meso hybrid microstructure
- In-situ SEM/EBSD observation of abnormal grain growth in electrodeposited nanocrystalline nickel
- High-temperature creep properties of Fe–Al alloys modified by Zr
- ALCHEMI study of chromium doped iron-aluminides
- Intermetallic compounds at the interface between Sn–Cu(–Ni) solders and Cu substrate
- The effect of the microstructure on elastic properties of a polycrystalline stoichiometric NiAl
- Ab-initio simulation of the tensile strength of silicon nanofilms
- New properties of halogen plasma-treated Cu films
- Applied
- High-speed deformation of titanium during dynamic channel-angular pressing
- Microstructural evolution of equal-channel angular pressed interstitial-free steel
- Effect of equal channel angular pressing on microstructure, texture, and high-cycle fatigue performance of wrought magnesium alloys
- The characteristics of superplastic flow in a magnesium alloy processed by ECAP
- Deformation behaviour of ultrafine-grained 7075 aluminium alloy
- The optimization of ECAP conditions to achieve high strain-rate superplasticity in a Zr- and Sc-modified aa 7075 aluminum alloy
- Multilayer composite al99.99/almg3 sheets prepared by accumulative roll bonding
- Preparation of ultrafine-grained twin-roll cast AlMg3 sheets by accumulative roll bonding
- Recovery and recrystallization behavior of aluminum processed by extrusion-preceded equal channel angular pressing
- Low sliding-wear resistance of ultrafine-grained Al alloys and steel having undergone severe plastic deformation
- Study of the recrystallization of AW-5049 and AW-5754 twin-roll cast alloys by EBSD
- XRD profile analysis of ECAP Cu and Cu + Zr samples
- Stability of microstructure in silver processed by severe plastic deformation
- Acoustic emission study of the mechanical anisotropy of the extruded AZ31 alloy
- Effects of shot peening on internal friction in cp aluminum and aluminum alloy 6008
- Effects of grain growth on microhardness and coercivity in electrodeposited nanocrystalline nickel
- Strain release from pre-deformed Ni53.6Mn27.1Ga19.3 shape memory alloy during thermal cycling
- Simulation of the growth kinetics of FeB and Fe2B phases on the AISI M2 borided steel: Effect of the paste thickness
- High-pressure torsion deformation of a magnesium-based nanocomposite
- Fracture behavior of Mg–Li matrix composites
- Notifications
- The 80th Birthday of Dr.-Ing. Wolfgang Eychmüller
- Personal
Articles in the same Issue
- Contents
- Contents
- Feature
- Beyond fick's equations, an overview
- Review
- The high-temperature creep properties of materials processed using severe plastic deformation
- Nanostructuring of metallic materials by spd processing for advanced properties
- Basic
- Some factors affecting the creep behaviour of metallic materials processed by equal-channel angular pressing
- The elastic–plastic transition in nanograined polycrystals
- Synchrotron X-ray line-profile analysis experiments for the in-situ microstructural characterisation of SPD nanometals during tensile deformation
- Tensile and fatigue properties of sub-microcrystalline ultra-low carbon steel produced by hpt-straining
- Precipitation Effects in Ultra-Fine-Grained Mg–RE Alloys
- EBSD investigation of the grain boundary distributions in ultrafine-grained Cu and Cu–Zr polycrystals prepared by equal-channel angular pressing
- Acoustic emission study of the deformation behaviour of magnesium sheets
- Mechanical properties of pure titanium and Ti-6Al-4V alloys with a new tailored nano/meso hybrid microstructure
- In-situ SEM/EBSD observation of abnormal grain growth in electrodeposited nanocrystalline nickel
- High-temperature creep properties of Fe–Al alloys modified by Zr
- ALCHEMI study of chromium doped iron-aluminides
- Intermetallic compounds at the interface between Sn–Cu(–Ni) solders and Cu substrate
- The effect of the microstructure on elastic properties of a polycrystalline stoichiometric NiAl
- Ab-initio simulation of the tensile strength of silicon nanofilms
- New properties of halogen plasma-treated Cu films
- Applied
- High-speed deformation of titanium during dynamic channel-angular pressing
- Microstructural evolution of equal-channel angular pressed interstitial-free steel
- Effect of equal channel angular pressing on microstructure, texture, and high-cycle fatigue performance of wrought magnesium alloys
- The characteristics of superplastic flow in a magnesium alloy processed by ECAP
- Deformation behaviour of ultrafine-grained 7075 aluminium alloy
- The optimization of ECAP conditions to achieve high strain-rate superplasticity in a Zr- and Sc-modified aa 7075 aluminum alloy
- Multilayer composite al99.99/almg3 sheets prepared by accumulative roll bonding
- Preparation of ultrafine-grained twin-roll cast AlMg3 sheets by accumulative roll bonding
- Recovery and recrystallization behavior of aluminum processed by extrusion-preceded equal channel angular pressing
- Low sliding-wear resistance of ultrafine-grained Al alloys and steel having undergone severe plastic deformation
- Study of the recrystallization of AW-5049 and AW-5754 twin-roll cast alloys by EBSD
- XRD profile analysis of ECAP Cu and Cu + Zr samples
- Stability of microstructure in silver processed by severe plastic deformation
- Acoustic emission study of the mechanical anisotropy of the extruded AZ31 alloy
- Effects of shot peening on internal friction in cp aluminum and aluminum alloy 6008
- Effects of grain growth on microhardness and coercivity in electrodeposited nanocrystalline nickel
- Strain release from pre-deformed Ni53.6Mn27.1Ga19.3 shape memory alloy during thermal cycling
- Simulation of the growth kinetics of FeB and Fe2B phases on the AISI M2 borided steel: Effect of the paste thickness
- High-pressure torsion deformation of a magnesium-based nanocomposite
- Fracture behavior of Mg–Li matrix composites
- Notifications
- The 80th Birthday of Dr.-Ing. Wolfgang Eychmüller
- Personal
