Atomistic modeling of the order-disorder phase transformation in the Ni 2 Cr model alloy

[1]  Fujio Izumi,et al.  VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data , 2011 .

[2]  D. Morgan,et al.  Ab initio-based diffusion theory and tracer diffusion in Ni–Cr and Ni–Fe alloys , 2010 .

[3]  Qingchuan Xu,et al.  Linking the electronic structure of solids to their thermodynamic and kinetic properties , 2010, Math. Comput. Simul..

[4]  Anton Van der Ven,et al.  Vacancy mediated substitutional diffusion in binary crystalline solids , 2010 .

[5]  Lorenzo Malerba,et al.  Early stages of α-α ' phase separation in Fe-Cr alloys: An atomistic study , 2009 .

[6]  Anton Van der Ven,et al.  Nondilute diffusion from first principles: Li diffusion in Li x TiS 2 , 2008 .

[7]  B. Cekić,et al.  Structure and electronic properties of Mo 3 Pt , MoPt 2 , and MoPt 3 : First-principles calculations , 2008 .

[8]  Fei Zhou,et al.  Ultra-Fast Evaluation of Protein Energies Directly from Sequence , 2006, PLoS Comput. Biol..

[9]  G. Ceder,et al.  First principles calculation of the interdiffusion coefficient in binary alloys. , 2005, Physical review letters.

[10]  Gerbrand Ceder,et al.  Vacancies in ordered and disordered binary alloys treated with the cluster expansion , 2005 .

[11]  M. D. Koning,et al.  Atomistic calculation of vacancy-formation free energies by reversible vacancy creation , 2004 .

[12]  D. Frenkel,et al.  Understanding molecular simulation : from algorithms to applications. 2nd ed. , 2002 .

[13]  Gerbrand Ceder,et al.  First-principles theory of ionic diffusion with nondilute carriers , 2001 .

[14]  B. R. Patton Solid State Physics: Solid State Physics , 2001 .

[15]  Joung-Soo Kim,et al.  Order–disorder reaction in Alloy 600 , 2000 .

[16]  Börje Johansson,et al.  First-principles calculations of the vacancy formation energy in transition and noble metals , 1999 .

[17]  Burke,et al.  Generalized Gradient Approximation Made Simple. , 1996, Physical review letters.

[18]  Kresse,et al.  Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. , 1996, Physical review. B, Condensed matter.

[19]  Berend Smit,et al.  Understanding molecular simulation: from algorithms to applications , 1996 .

[20]  G. Kresse,et al.  Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set , 1996 .

[21]  K. Lu,et al.  AN EXPLANATION TO THE ANOMALOUS AVRAMI EXPONENT , 1996 .

[22]  A. Marucco Atomic ordering in the NiCrFe system , 1994 .

[23]  Blöchl,et al.  Projector augmented-wave method. , 1994, Physical review. B, Condensed matter.

[24]  D. Fontaine Cluster Approach to Order-Disorder Transformations in Alloys , 1994 .

[25]  Hafner,et al.  Ab initio molecular dynamics for liquid metals. , 1995, Physical review. B, Condensed matter.

[26]  D. Srolovitz,et al.  Finite temperature vacancy formation thermodynamics: local harmonic and quasiharmonic studies , 1993 .

[27]  A. B. Lidiard,et al.  Atomic transport in solids , 1993 .

[28]  A. Marucco Effects of Composition on the Order-Disorder Transformation in Ni-Cr Based Alloys , 1991 .

[29]  W. H. Weinberg,et al.  Dynamic Monte Carlo with a proper energy barrier: Surface diffusion and two‐dimensional domain ordering , 1989 .

[30]  A. Marucco,et al.  Effects of ordering on the properties of Ni-Cr alloys , 1988 .

[31]  Foiles,et al.  Embedded-atom-method functions for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys. , 1986, Physical review. B, Condensed matter.

[32]  F. Ducastelle,et al.  Generalized cluster description of multicomponent systems , 1984 .

[33]  R. Asfahani,et al.  AES studies of phosphorus impurity on hydrogen embrittlement of Ni2Cr , 1983 .

[34]  L. Karmazin Lattice parameter studies of structure changes of NiCr alloys in the region of Ni2Cr , 1982 .

[35]  D. Legnini,et al.  The vacancy formation enthalpy in Ni determined by positron annihilation , 1981 .

[36]  J. Růžičková,et al.  Self-diffusion of the components in the F.C.C. phase of binary solid solutions of the FeNiCr system , 1981 .

[37]  C. Miller,et al.  The effect of ordering on the hydrogen embrittlement susceptibility of Ni2Cr , 1980 .

[38]  A. Seeger Atomic defects in metals and semiconductors , 1976 .

[39]  G. Vineyard THEORY OF ORDER-DISORDER KINETICS , 1956 .

[40]  G. Dienes Kinetics of order-disorder transformations , 1955 .

[41]  N. Metropolis,et al.  Equation of State Calculations by Fast Computing Machines , 1953, Resonance.

[42]  M. Avrami Granulation, Phase Change, and Microstructure Kinetics of Phase Change. III , 1941 .

[43]  M. Avrami Kinetics of Phase Change. II Transformation‐Time Relations for Random Distribution of Nuclei , 1940 .

[44]  M. Avrami Kinetics of Phase Change. I General Theory , 1939 .