Paper Titles

Diffusional Growth Kinetics of Boride Layers on Iron-Chromium Alloys
p.181

Passive State Degradation of Stainless Steel Welds
p.189

Assessment of Heterogeneity of Welded Joint of Two Different Metals by Modeling of Diffusion of Substitution Elements
p.193

Effect of Cooling Rate on Structural and Chemical Microheterogeneity of IN 738LC Nickel Based Superalloy
p.201

Application of Statistical Moment Method to Thermodynamic Properties and Phase Transformations of Metals and Alloys
p.209

The Analytical and Computational Thermodynamics of Closed Binary Systems
p.241

Statistical Thermodynamics and Ordering Kinetics of D0₁₉-Type Phase: Application of the Models for H.C.P.-Ti–Al Alloy
p.283

A Semi-Empirical Parameterization of Interatomic Interactions Based on the Statistical-Thermodynamic Analysis of the Data on Radiation Dif-fraction and Phase Equilibria in F.C.C.-Ni–Fe Alloys
p.303

Vaporization and Thermochemical Study of SrCeO₃(s) and SrCe_0.95Yb_0.05O₃(s) by Knudsen Effusion Mass Spectrometry
p.319

HomeSolid State PhenomenaSolid State Phenomena Vol. 138Application of Statistical Moment Method to...

Application of Statistical Moment Method to Thermodynamic Properties and Phase Transformations of Metals and Alloys

Article Preview

Abstract:

The thermodynamic properties and phase transformations of metals and alloys are studied using the statistical moment method, going beyond the quasi-harmonic approximations. Including the power moments of the atomic displacements up to the fourth order, the Helmholtz free energies and the related thermodynamic quantities are derived explicitly in closed analytic forms. The thermodynamic quantities, like thermal lattice expansion coefficients, specific heats, Grüneisen constants, elastic constants calculated by using the SMM are compared with those of other theoretical schemes and the experimental results. The hcp-bcc structural phase transformations observed for IVB elements, Ti, Zr and Hf, are discussed in terms of the anharmonicity of thermal lattice vibrations. The equilibrium phase diagrams are calculated for the refractory Ta-W and Mo-Ta bcc alloys. In addition, the temperature dependence of the elastic moduli C11, C12 and C14 and those of the ideal tensile and shear strengths of the bcc elements Mo, Ta and W are studied: We also discuss the melting transitions of metals and alloys within the framework of the SMM and estimate the melting temperatures through the limiting temperature of the crystalline stability.

You might also be interested in these eBooks

Solid Phase Transformations

Info:

Periodical:

Solid State Phenomena (Volume 138)

Pages:

209-240

DOI:

https://doi.org/10.4028/www.scientific.net/SSP.138.209

Citation:

Cite this paper

Online since:

March 2008

Authors:

K. Masuda-Jindo, Vu Van Hung, P.E.A. Turchi

Keywords:

Cluster Variation Method, Coherent Potential Approximation, HCP-BCC Phase Transition, Melting Transition, Statistical Moment Method, TB-LMTO Method

Export:

RIS, BibTeX

Price:

Permissions CCC:

Request Permissions

Permissions PLS:

Request Permissions

Сopyright:

© 2008 Trans Tech Publications Ltd. All Rights Reserved

Share:

Citation:

[1] Ya P. Terleski and N. Tang: Ann. Phys. Vol. 19 (1967), p.299.

[2] N. Tang and V.V. Hung: Phys. Stat. Sol. B Vol. 149 (1988), p.511.

[3] N. Tang and V.V. Hung: Phys. Stat. Sol. B Vol. 161 (1990), p.165; ibid Vol. 162 (1990), p.371.

[4] V.V. Hung and K. Masuda-Jindo: J. Phys. Soc. Jap. Vol. 69 (2000), p. (2067).

[5] V.V. Hung, H. V. Tich and K. Masuda-Jindo: J. Phys. Soc. Jap. Vol. 69 (2000), p.2961.

[6] K. Masuda-Jindo, V.V. Hung and P. D. Tam: Phys. Rev. B Vol. 67 (2003), p.094301.

[7] K. Masuda-Jindo and V.V. Hung: J. Phys. Soc. Jap. Vol. 73 (2004), p.1205.

[8] K. Masuda-Jindo, S.R. Nishitani and V.V. Hung: Phys. Rev. B Vol. 70 (2004), p.184122.

[9] K. Masuda-Jindo, V.V. Hung and M. Menon: Phys. Stat. Sol. (c) Vol. 2 (2005), p.1781.

[10] V.V. Hung, K. Masuda-Jindo and P.H.M. Hanh: J. Phys. -Condens. Matter Vol. 18 (2006), p.283.

[11] V.V. Hung, J. Lee and K. Masuda-Jindo: J. Phys. Chem. Solids Vol. 67 (2006), p.682.

[12] Vu Van Hung, J. Lee, K. Masuda-Jindo and L. Kim: Comp. Mat. Sci. Vol. 37 (2006), p.565.

[13] D. Frenkel and A. J. C. Ladd: J. Chem. Phys. Vol. 81 (1984), p.3188.

[14] D. Frenkel and B. Smit: Understanding Molecular Simulation from Algorithm to Applications (Academic Press, 2002).

[15] P.E.A. Turchi, A. Gonis, V. Drchal and J. Kudrnocsky: Phys. Rev. B Vol. 64 (2001), p.085112.

[16] P.E.A. Turchi, V. Drchal, J. Kudmocský, C. Colinet, L. Kaufman and Z. -K. Liu: Phys. Rev. B Vol. 71 (2000), p.094206; N.I. Papanicolaou, G.C. Kallinteris, G.A. Evangelakis and D.A. Papaconstantopoulos: Comp. Mat. Sci. Vol. 17 (2000), p.224.

[17] N.M. Plakida and T. Siklós: Acta. Phys. Hung. Vol. 45 (1978), p.37.

[18] N.V. Hung and J.J. Rehr: Phys. Rev. B Vol. 56 (1997), p.43.

[19] R. Sahara, H. Mizuseki, K. Ohno, S. Uda, T. Fukuda and Y. Kawazoe: J. Chem. Phys. Vol. 110 (1999), p.9608.

[20] D. Marx and M. Parrinello: J. Chem. Phys. Vol. 104 (1996), p.4077.

[21] H. Kitamura, S. Tsuneyuki, T. Ogitsu and T. Miyake: Nature Vol. 404 (2000), p.259.

[22] V.V. Hung, K. Masuda-Jindo and Nguyan Thi Hoa: J. Mater. Res. (2007), in press.

[23] L. Anthony, J.K. Okamoto and B. Fultz: Phys. Rev. Lett., 70, 1128 (1993).

[24] L.J. Nagel, L. Anthony, J.K. Okamoto and B. Fultz: J. Phase Equil. 18, 551 (1997).

[25] R. Besson and J. Morillo: Phys. Rev. B Vol. 55, 193 (1997).

[26] V. Rosato, M. Guillope and B. Legrand: Philos. Mag. A59, 321 (1989).

[27] F. Cleri and V. Rosato: Phys. Rev. B Vol. 48, 22 (1993).

[28] V.L. Moruzzi, J.F. Janak and K. Schwarz: Phys. Rev. B Vol. 37 (1988).

[29] J. Mei, J.W. Davenport and G.W. Fernando: Phys. Rev. B Vol. 43 (1991), p.4653.

[30] H. Cynn and C.S. Yoo: Phys. Rev. B Vol. 59 (1999), p.8526.

[31] K.W. Katahara, M.H. Maghnani and E.S. Fisher: J. Phys. F-Met. Phys. Vol. 9 (1979), p.773.

[32] R.E. Cohen and O. Gülseren: Phys Rev. B Vol. 63 (2001), p.224101.

[33] W. Petry, A. Heiming, J. Trampenau, M. Alba, C. Herzig, H.R. Schober and G. Vogl: Phys. Rev. B Vol. 43 (1991), p.10933.

DOI: 10.1103/physrevb.43.10933

[34] Y. Chen, C-L. Fu, K-M. Ho and B.N. Harmon: Phys. Rev. B Vol. 31 (1985), p.6775.

[35] U. Pinsook and G. L. Ackland: Phys. Rev. B Vol. 58 (1998), p.11252; ibid Vol. 59 (1999), p.11252.

[36] E. G. Moroni, G. Grimvall and T. Jarlborg: Phys. Rev. Lett. Vol. 76 (1996), p.2758.

[37] F. Willaime and C. Mossobrio: Phys. Rev. B Vol. 43 (1991), p.11653.

[38] S.A. Ostani and V. Yu Trubitsin: Phys. Rev. B Vol. 57 (1998), 13485.

[39] T. May, W. Muller and D. Strauch: Phys. Rev. B Vol. 57 (1998), p.5788.

[40] R. Ahuja, J.M. Wills, B. Johansson and O. Eriksson: Phys. Rev. B Vol. 48 (1993), p.16269.

[41] L. Gerward and J. Straun-Olsen: Powder Diffr. Vol. 8 (1993), p.127.

[42] D.R. Lide: CRC Handbook of Chemistry and Physics (CCRC Press, Boca Ratton 2001-2002).

[43] R. Kikuchi: Phys. Rev. Vol. 81 (1951), p.988.

[44] R. Kikuchi and K. Masuda-Jindo: Comp. Mat. Sci. Vol. 8 (1997), p.1.

[45] A. Finel: Prog. Theor. Phys. Suppl. Vol. 115 (1994), p.59; A. Finel and R. Tétot, in: Proc. NATO ASI, Corfu, June (1995).

[46] T. Horiuchi, S. Takizawa, T. Suzuki and T. Mohri: Metall. Mater. Trans. Vol. 26 (1995), p.11.

[47] J. Frenkel: Z. Phys. Vol. 37 (1926), p.572.

[48] E. Orowan: Rep. Prog. Phys. Vol. 12, (1949), p.185.

[49] M. Šob, L.G. Wang and V. Vitek: Mater. Sci. Eng. A Vols. 264-236 (1997), p.1075.

[50] D. Roundy, C.R. Krenn and M.L. Cohen: Phil. Mag. A Vol. 81 (2001), p.1725; C.R. Krenn, D. Roundy, J.W. Morris Jr and M.L. Cohen: Mat. Sci. Eng. A Vols. 319-321, (2001), p.111.

DOI: 10.1016/s0921-5093(01)00998-4

[51] K. Masuda, N. Hamada and K. Terakura: J. Phys. F-Met. Phys. Vol. 14 (1984), p.47.

[52] J. P. Hirth and L. Lothe: Theory of Dislocations (New-York: McGraw-Hill 1968); G. Simmons and H. Wang, Single Crystal Elastic Constants and Calculated Aggregated Properties (MIT Press, Cambridge 1971).

[53] H. Haas, C. Z. Wang, M. Fähnle, C. Elsasser and K.M. Ho: Phys. Rev. B Vol. 57 (1998), p.1461.

[54] S.C. Kim and T.H. Kwon: Phys. Rev. B Vol. 45 (1992), p.2105.

[55] I.M. Mikhaiovskii: P.Y. Poltinin and L.I. Fedorova: Sov. Phys. Solid State Vol. 23 (1981), p.757.

[56] M. Kumari, K. Kumari and N. Dass, Phys. Stat. Sol. (a) Vol. 99 (1987).