Abstract
The origins of the S-shaped entropy of mixing and order – disorder transformation in Cd –Na liquid alloys have been investigated within a first-principle approach of a pseudo-potential perturbation scheme with the Gibbs–Bogoliubov variation technique.We find that the deepening of the structure part of the entropy around the stoichiometric composition (cNa ≈ 0.33) is responsible for the S-shaped entropy and suggests the existence of short-range order in the liquid state. The role of the local-field correction function, G(q), of conduction electrons on the entropy of mixing is examined. The impact of G(q) on partial structure factors is more visible towards low q (q → 0) than at higher q.
References
[1] R. Hultgren, P.D. Desai, D.T. Hawkins, M. Gleiser, K.K. Kelley: Selected Values of the Thermodynamic Properties of Binary Alloys, Metals Park, OH: American Society of Metal, 1973.Search in Google Scholar
[2] H. Hoshino, H. Endo: Phys. Chem. Liq. 11 (1982) 327.10.1080/00319108208080754Search in Google Scholar
[3] S. Harada, S. Takahashi, S. Takeda, S. Tamaki, P. Gray, N.E. Cusak: J. Phys. F Metal Phys. 18 (1988) 2559.10.1088/0305-4608/18/12/007Search in Google Scholar
[4] B. Karaoglu, W.H. Young: J. Phys. Cond. Matter 2 (1990) 9189.10.1088/0953-8984/2/46/018Search in Google Scholar
[5] R.N. Singh, I.S. Jha, S.K. Sinha: J. Phys. Cond. Matter 3 (1991) 2787.10.1088/0953-8984/3/16/017Search in Google Scholar
[6] Z.H. Jin, K.Y. Chen, K. Lu, Z.Q. Hu: J. Phys. Cond. Matter 8 (1996) 8105.10.1088/0953-8984/8/43/008Search in Google Scholar
[7] G.A. Mansoori, N.F. Carnahan, K.E. Starling, T.W. Leland: J. Chem. Phys. 54 (1971) 1523.10.1063/1.1675048Search in Google Scholar
[8] W.H. Young, in: Liquid Metals and Alloys (sp. issue), Can. J. Phys. 65 (1987) 241.Search in Google Scholar
[9] N.W. Ashcroft, D. Stroud: Solid St. Phys. 33 (1978) 1.10.1016/S0081-1947(08)60468-3Search in Google Scholar
[10] N.W. Ashcroft: Phys. Lett. A 23 (1966) 48.10.1016/0031-9163(66)90251-4Search in Google Scholar
[11] W.A. Harrison: Pseudopotential in the Theory of Metals, Benjamin, New York, 1966.Search in Google Scholar
[12] R.N. Singh, in: Y.A. Chang, F. Sommer (Eds.), Thermodynamics of Alloy Formation, TMS, Penn, 1997, p. 229.Search in Google Scholar
[13] J.F. Wax, J.L. Bretonet: J. Non-cryst. Solids 250–252 (1999) 30.10.1016/S0022-3093(99)00209-4Search in Google Scholar
[14] J. Hubbard: Proc. Roy. Soc. A 240 (1957) 539; L.J. Sham: Proc. Roy. Soc. A 283 (1965) 33.Search in Google Scholar
[15] S. Ichimaru, K. Utsumi: Phys. Rev. B 24 (1981) 7385.10.1103/PhysRevB.24.7385Search in Google Scholar
[16] N.W. Ashcroft, D.C. Langreth: Phys. Rev. 156 (1967) 685; 159 (1967) 500.10.1103/PhysRev.156.685Search in Google Scholar
[17] A.B. Bhatia, in: Liquid Metals, Inst. Phys. Conf. ser. 30, IOP, Bristol, 1976, 21.Search in Google Scholar
[18] R.N. Singh, in: Liquid Metals and Alloys (sp. issue): Can. J. Phys. 65 (1987) 309.Search in Google Scholar
© 2006 Carl Hanser Verlag, München
Articles in the same Issue
- Frontmatter
- Editorial
- Evolution of the mixed-mode character of solid-state phase transformations in metals involving solute partitioning
- Liquid–liquid interfacial tension in themonotectic alloy (Al34.5Bi65.5)95Si5 (wt.%)
- Influence of Sb additions on surface tension and density of Sn–Sb, Sn–Ag–Sb and Sn–Ag–Cu–Sb alloys: Experiment vs. modeling
- Liquid–liquid transition in elemental liquids investigated by sound velocity measurements: trends in the periodic table
- Bulk and surface properties of liquid Ga–Tl and Zn–Cd alloys
- Structure-induced order – disorder transformation in Cd – Na liquid alloys
- An indirect approach to measure glass transition temperature in metallic glasses
- Fragility, kinetic stability and phase separations in the undercooled state of bulk glass formers – a case study on metallic model systems
- Development of long-period ordered structures during crystallisation of amorphous Mg80Cu10Y10 and Mg83Ni9Y8
- Isothermal crystallization behavior of undercooled liquid Pd40Cu30Ni10P20 in terms of crystal growth, overall volume crystallization kinetics and their relation to the viscosity temperature dependence
- The magnesium-ytterbium system: A contribution to the thermodynamics of solid alloys
- Experimental investigation and thermodynamic modelling of the Mg–Al-rich region of the Mg–Al–Sr System
- Thermodynamic properties and phase relations of Zn-rich alloys in the system Pt–Zn
- Comparison of thermodynamic data of the ternary Cu–Sn–Zn system, measured with the EMF and with the calorimetric method
- Analysis of phase formation in Ni-rich alloys of the Ni–Ta–W system by calorimetry, DTA, SEM, and TEM
- Site preference, thermodynamic, and magnetic properties of the ternary Laves phase Ti(Fe1 – xAlx)2 with the crystal structure of the MgZn2-type
- Activity measurements on the Al-rich region of the Ni–Al system – A high temperature mass spectrometric study
- Metastable phases and nanocrystalline-forming ability (NFA) of melt-quenched Ni-rich (Zr, Hf)–Ni alloys
- Low temperature deposition with inductively coupled plasma
- Instructions for Authors
- Personal/Personelles
- Press/Presse
- Conferences/Konferenzen
- Frontmatter
- Editorial
- Editorial
- BBasic
- Evolution of the mixed-mode character of solid-state phase transformations in metals involving solute partitioning
- Liquid–liquid interfacial tension in themonotectic alloy (Al34.5Bi65.5)95Si5 (wt.%)
- Influence of Sb additions on surface tension and density of Sn–Sb, Sn–Ag–Sb and Sn–Ag–Cu–Sb alloys: Experiment vs. modeling
- Liquid–liquid transition in elemental liquids investigated by sound velocity measurements: trends in the periodic table
- Bulk and surface properties of liquid Ga–Tl and Zn–Cd alloys
- Structure-induced order – disorder transformation in Cd – Na liquid alloys
- An indirect approach to measure glass transition temperature in metallic glasses
- Fragility, kinetic stability and phase separations in the undercooled state of bulk glass formers – a case study on metallic model systems
- Development of long-period ordered structures during crystallisation of amorphous Mg80Cu10Y10 and Mg83Ni9Y8
- Isothermal crystallization behavior of undercooled liquid Pd40Cu30Ni10P20 in terms of crystal growth, overall volume crystallization kinetics and their relation to the viscosity temperature dependence
- The magnesium-ytterbium system: A contribution to the thermodynamics of solid alloys
- Experimental investigation and thermodynamic modelling of the Mg–Al-rich region of the Mg–Al–Sr System
- Thermodynamic properties and phase relations of Zn-rich alloys in the system Pt–Zn
- Comparison of thermodynamic data of the ternary Cu–Sn–Zn system, measured with the EMF and with the calorimetric method
- Analysis of phase formation in Ni-rich alloys of the Ni–Ta–W system by calorimetry, DTA, SEM, and TEM
- Site preference, thermodynamic, and magnetic properties of the ternary Laves phase Ti(Fe1 – xAlx)2 with the crystal structure of the MgZn2-type
- Activity measurements on the Al-rich region of the Ni–Al system – A high temperature mass spectrometric study
- Metastable phases and nanocrystalline-forming ability (NFA) of melt-quenched Ni-rich (Zr, Hf)–Ni alloys
- AApplied
- Low temperature deposition with inductively coupled plasma
- Notifications/Mitteilungen
- Instructions for Authors
- Personal/Personelles
- Press/Presse
- Conferences/Konferenzen
Articles in the same Issue
- Frontmatter
- Editorial
- Evolution of the mixed-mode character of solid-state phase transformations in metals involving solute partitioning
- Liquid–liquid interfacial tension in themonotectic alloy (Al34.5Bi65.5)95Si5 (wt.%)
- Influence of Sb additions on surface tension and density of Sn–Sb, Sn–Ag–Sb and Sn–Ag–Cu–Sb alloys: Experiment vs. modeling
- Liquid–liquid transition in elemental liquids investigated by sound velocity measurements: trends in the periodic table
- Bulk and surface properties of liquid Ga–Tl and Zn–Cd alloys
- Structure-induced order – disorder transformation in Cd – Na liquid alloys
- An indirect approach to measure glass transition temperature in metallic glasses
- Fragility, kinetic stability and phase separations in the undercooled state of bulk glass formers – a case study on metallic model systems
- Development of long-period ordered structures during crystallisation of amorphous Mg80Cu10Y10 and Mg83Ni9Y8
- Isothermal crystallization behavior of undercooled liquid Pd40Cu30Ni10P20 in terms of crystal growth, overall volume crystallization kinetics and their relation to the viscosity temperature dependence
- The magnesium-ytterbium system: A contribution to the thermodynamics of solid alloys
- Experimental investigation and thermodynamic modelling of the Mg–Al-rich region of the Mg–Al–Sr System
- Thermodynamic properties and phase relations of Zn-rich alloys in the system Pt–Zn
- Comparison of thermodynamic data of the ternary Cu–Sn–Zn system, measured with the EMF and with the calorimetric method
- Analysis of phase formation in Ni-rich alloys of the Ni–Ta–W system by calorimetry, DTA, SEM, and TEM
- Site preference, thermodynamic, and magnetic properties of the ternary Laves phase Ti(Fe1 – xAlx)2 with the crystal structure of the MgZn2-type
- Activity measurements on the Al-rich region of the Ni–Al system – A high temperature mass spectrometric study
- Metastable phases and nanocrystalline-forming ability (NFA) of melt-quenched Ni-rich (Zr, Hf)–Ni alloys
- Low temperature deposition with inductively coupled plasma
- Instructions for Authors
- Personal/Personelles
- Press/Presse
- Conferences/Konferenzen
- Frontmatter
- Editorial
- Editorial
- BBasic
- Evolution of the mixed-mode character of solid-state phase transformations in metals involving solute partitioning
- Liquid–liquid interfacial tension in themonotectic alloy (Al34.5Bi65.5)95Si5 (wt.%)
- Influence of Sb additions on surface tension and density of Sn–Sb, Sn–Ag–Sb and Sn–Ag–Cu–Sb alloys: Experiment vs. modeling
- Liquid–liquid transition in elemental liquids investigated by sound velocity measurements: trends in the periodic table
- Bulk and surface properties of liquid Ga–Tl and Zn–Cd alloys
- Structure-induced order – disorder transformation in Cd – Na liquid alloys
- An indirect approach to measure glass transition temperature in metallic glasses
- Fragility, kinetic stability and phase separations in the undercooled state of bulk glass formers – a case study on metallic model systems
- Development of long-period ordered structures during crystallisation of amorphous Mg80Cu10Y10 and Mg83Ni9Y8
- Isothermal crystallization behavior of undercooled liquid Pd40Cu30Ni10P20 in terms of crystal growth, overall volume crystallization kinetics and their relation to the viscosity temperature dependence
- The magnesium-ytterbium system: A contribution to the thermodynamics of solid alloys
- Experimental investigation and thermodynamic modelling of the Mg–Al-rich region of the Mg–Al–Sr System
- Thermodynamic properties and phase relations of Zn-rich alloys in the system Pt–Zn
- Comparison of thermodynamic data of the ternary Cu–Sn–Zn system, measured with the EMF and with the calorimetric method
- Analysis of phase formation in Ni-rich alloys of the Ni–Ta–W system by calorimetry, DTA, SEM, and TEM
- Site preference, thermodynamic, and magnetic properties of the ternary Laves phase Ti(Fe1 – xAlx)2 with the crystal structure of the MgZn2-type
- Activity measurements on the Al-rich region of the Ni–Al system – A high temperature mass spectrometric study
- Metastable phases and nanocrystalline-forming ability (NFA) of melt-quenched Ni-rich (Zr, Hf)–Ni alloys
- AApplied
- Low temperature deposition with inductively coupled plasma
- Notifications/Mitteilungen
- Instructions for Authors
- Personal/Personelles
- Press/Presse
- Conferences/Konferenzen