Robust FCC solute diffusion predictions from ab-initio machine learning methods
暂无分享,去创建一个
Bryce Meredig | Dane Morgan | Henry H. Wu | B. Meredig | D. Morgan | Henry Wu | Aren Lorenson | Ben Anderson | Liam Witteman | Haotian Wu | A. Lorenson | Haotian Wu | Ben Anderson | L. Witteman
[1] K. Müller,et al. Machine Learning Predictions of Molecular Properties: Accurate Many-Body Potentials and Nonlocality in Chemical Space , 2015, The journal of physical chemistry letters.
[2] John C. Slater,et al. Atomic Radii in Crystals , 1964 .
[3] Gaël Varoquaux,et al. Scikit-learn: Machine Learning in Python , 2011, J. Mach. Learn. Res..
[4] S. Okatov,et al. First-principles study of 4d solute diffusion in nickel , 2014, Journal of Materials Science.
[5] N. H. March,et al. Solute Diffusion in Metals , 1956 .
[6] G. Neumann,et al. Impurity Diffusion in F.C.C. Metals , 1973 .
[7] C. Kittel. Introduction to solid state physics , 1954 .
[8] Alok Choudhary,et al. A General-Purpose Machine Learning Framework for Predicting Properties of Inorganic Materials , 2016 .
[9] A. Ferro. Theory of Diffusion Constants in Interstitial Solid Solutions of b.c.c. Metals , 1957 .
[10] Chris Wolverton,et al. First principles impurity diffusion coefficients , 2009 .
[11] R. Holmestad,et al. First-principles calculations of impurity diffusion activation energies in Al , 2006 .
[12] Yingzhi Zeng,et al. High-throughput prediction of activation energy for impurity diffusion in fcc metals of Group I and VIII , 2015 .
[13] Enrico Clementi,et al. Atomic Screening Constants from SCF Functions. II. Atoms with 37 to 86 Electrons , 1967 .
[14] Tam Mayeshiba,et al. High-throughput ab-initio dilute solute diffusion database , 2016, Scientific Data.
[15] Torolf Ternstrom,et al. A periodic table , 1964 .
[16] G. M. Hood. An atom size effect in tracer diffusion , 1978 .
[17] Enrico Clementi,et al. Atomic Screening Constants from SCF Functions , 1963 .
[18] D. Turnbull,et al. A CORRELATION OF DATA ON DIFFUSION OF SOLUTES IN FACE-CENTERED CUBIC METALS , 1959 .
[19] Zi-kui Liu,et al. First-principles calculations of impurity diffusion coefficients in dilute Mg alloys using the 8-frequency model , 2011 .
[20] Prediction of yield stress in highly irradiated ferritic steels , 2008 .
[21] H. Mehrer. Diffusion in solids : fundamentals, methods, materials, diffusion-controlled processes , 2007 .
[22] Marcel H. F. Sluiter,et al. Impurity diffusion activation energies in Al from first principles , 2009 .
[23] Mark Asta,et al. Calculation of impurity diffusivities in α-Fe using first-principles methods , 2010 .
[24] Atsuto Seko,et al. Machine learning with systematic density-functional theory calculations: Application to melting temperatures of single- and binary-component solids , 2013, 1310.1546.
[25] A. Janotti,et al. Solute diffusion in metals: larger atoms can move faster. , 2004, Physical review letters.