Theoretical modeling of molar volume and thermal expansion
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[1] B. Sundman,et al. Calculation of Debye temperature for crystalline structures - A case study on Ti, Zr, and Hf , 2001 .
[2] S. Nenno,et al. Detection and Determination of Equilibrium Vacancy Concentrations in Aluminum , 1960 .
[3] Stefano de Gironcoli,et al. Phonons and related crystal properties from density-functional perturbation theory , 2000, cond-mat/0012092.
[4] S. Ostanin,et al. Calculation of the P-T phase diagram of Zr in different approximations for the exchange-correlation energy , 1998 .
[5] Jianjun Xie,et al. High-pressure thermodynamic, electronic and magnetic properties of Ni , 2000 .
[6] R. Ahuja,et al. Mean-field potential approach to the quasiharmonic theory of solids , 2004 .
[7] Cohen,et al. Thermal properties of iron at high pressures and temperatures. , 1996, Physical review. B, Condensed matter.
[8] M. Alouani,et al. Ab initio thermodynamics of metals: Al and W , 2001 .
[9] Grimvall,et al. Spin fluctuations in paramagnetic chromium determined from entropy considerations. , 1993, Physical review. B, Condensed matter.
[10] H. M. Otte,et al. X‐Ray Diffractometer Determination of the Thermal Expansion Coefficient of Aluminum near Room Temperature , 1963 .
[11] Henry M. Otte,et al. Lattice Parameter Determinations with an X-Ray Spectrogoniometer by the Debye-Scherrer Method and the Effect of Specimen Condition , 1961 .
[12] J. R. Granada,et al. Lattice Parameter of the Zr-Nb bee Phase: Neutron Scattering Study and Assessment of Experimental Data , 1995 .
[13] P. Entel,et al. AB INITIO FULL-POTENTIAL STUDY OF THE STRUCTURAL AND MAGNETIC PHASE STABILITY OF IRON , 1999 .
[14] E. A. Owen,et al. A low-temperature X-ray camera , 1954 .
[15] A. S. Cooper. Precise lattice constants of germanium, aluminum, gallium arsenide, uranium, sulphur, quartz and sapphire , 1962 .
[16] Kristin A. Persson,et al. Phonon instabilities in bcc Sc, Ti, La, and Hf , 2000 .
[17] Watson,et al. Local stability of nonequilibrium phases. , 1994, Physical review letters.
[18] J. Jonas,et al. Effect of Temperature and Hydrogen Concentration on the Lattice Parameter of Beta Titanium , 2001 .
[19] Acet,et al. High-temperature moment-volume instability and anti-Invar of gamma -Fe. , 1994, Physical review. B, Condensed matter.
[20] Janak,et al. Calculated thermal properties of metals. , 1988, Physical review. B, Condensed matter.
[21] D. Hamann,et al. Vibrational frequencies and structural properties of transition metals via total-energy calculations , 1982 .
[22] Ared Cezairliyan,et al. Interferometric technique for the subsecond measurement of thermal expansion at high temperatures: Applications to refractory metals , 1991 .
[23] A. Dinsdale. SGTE data for pure elements , 1991 .
[24] Johansson,et al. Crystal structures of Ti, Zr, and Hf under compression: Theory. , 1993, Physical review. B, Condensed matter.
[25] Wang,et al. Accurate and simple analytic representation of the electron-gas correlation energy. , 1992, Physical review. B, Condensed matter.
[26] R. Reeber,et al. The perfect crystal, thermal vacancies and the thermal expansion coefficient of aluminium , 2000 .
[27] Stark,et al. First-principles calculation of the Ag-Cu phase diagram. , 1991, Physical review. B, Condensed matter.
[28] D. E. Gray,et al. American Institute of Physics Handbook , 1957 .
[29] Y. S. Touloukian,et al. Properties of selected ferrous alloying elements , 1981 .
[30] 秋本 俊一. V. N. Zharkov and V. A. Kalinin: Equations of State for Solids at High Pressures and Temperatures, Consultants Bureau, New York and London, 1971, 257ページ, 27×21cm, 13,000円. , 1972 .
[31] First-principles calculation of the thermal properties of silver , 1998, cond-mat/9807323.
[32] Wills,et al. Theory of elastic constants of cubic transition metals and alloys. , 1993, Physical review. B, Condensed matter.
[33] C. Kittel. Introduction to solid state physics , 1954 .
[34] A. van de Walle,et al. The effect of lattice vibrations on substitutional alloy thermodynamics , 2001, cond-mat/0106490.
[35] J. Bąk-Misiuk,et al. Lattice parameters of FeSi alloy single crystals , 1988 .
[36] R. E. Watson,et al. Structural instabilities of excited phases , 1997 .
[37] White,et al. Thermal expansion of chromium at high temperature. , 1996, Physical review. B, Condensed matter.
[38] H. L. Johnston,et al. High Temperature Structure and Thermal Expansion of Some Metals as Determined by X‐Ray Diffraction Data. I. Platinum, Tantalum, Niobium, and Molybdenum , 1951 .
[39] G. Kresse,et al. From ultrasoft pseudopotentials to the projector augmented-wave method , 1999 .
[40] N. Saunders,et al. CALPHAD : calculation of phase diagrams : a comprehensive guide , 1998 .
[41] G. Grimvall. Thermophysical properties of materials , 1986 .
[42] Zi-kui Liu,et al. Thermodynamic properties of Al, Ni, NiAl, and Ni3Al from first-principles calculations , 2004 .
[43] J. Härtwig,et al. The Bond Method Used to Determine the Value of the Lattice Parameter a for α‐Fe , 1990 .
[44] R. K. Kirby. Platinum—A thermal expansion reference material , 1991 .
[45] D. King,et al. Technique for Measuring Vacancy Concentrations in Metals at the Melting Point , 1966 .
[46] M. Yousuf,et al. Effect of magnetic transition on the lattice expansion of nickel , 1986 .
[47] B. Delf. The practical determination of lattice parameters using the centroid method , 1963 .
[48] Thomas Ruggles Pynchon. Introduction to chemical physics : designed for the use of academies, high schools, and colleges. Illus. with numerous engravings, and containing copious lists of experiments with directions for preparing them , .
[49] A. F. Guillermet,et al. Analysis of thermodynamic properties of molybdenum and tungsten at high temperatures. , 1991, Physical review. B, Condensed matter.
[50] A. J. Cornish,et al. A high temperature attachment for an X-ray diffractometer for precision lattice parameter measurements , 1965 .
[51] K. P. Gupta,et al. Low temperature lattice parameters of Al and Al-Zn alloys and Grüneisen parameter of Al , 1978 .
[52] J. C. Slater. Introduction to chemical physics , 1933 .
[53] Equations of state for solids at high pressures and temperatures from shock-wave data , 1999, cond-mat/9911407.
[54] Fu,et al. Calculations for the transverse N-point phonons in bcc Zr, Nb, and Mo. , 1985, Physical review. B, Condensed matter.
[55] A. Mallik,et al. Computer calculations of phase diagrams , 1986 .