Temperature-dependent Embedded-Atom-Method (EAM) functions of hcp titanium have been determined by fitting to the lattice constants and elastic constants, measured at various temperatures as well as by considering the...Temperature-dependent Embedded-Atom-Method (EAM) functions of hcp titanium have been determined by fitting to the lattice constants and elastic constants, measured at various temperatures as well as by considering the universal Rose's relation. The EAM functions thus obtained satisfy the stable structure requirement and Cauchy discrepancy. The results show that the EAM functions do have temperature-dependence, and in the meanwhile it also provides EAM functions of titanium for the study of Ti-based metallic materials at various temperatures. (Author abstract) 16 Refs.展开更多
文摘Temperature-dependent Embedded-Atom-Method (EAM) functions of hcp titanium have been determined by fitting to the lattice constants and elastic constants, measured at various temperatures as well as by considering the universal Rose's relation. The EAM functions thus obtained satisfy the stable structure requirement and Cauchy discrepancy. The results show that the EAM functions do have temperature-dependence, and in the meanwhile it also provides EAM functions of titanium for the study of Ti-based metallic materials at various temperatures. (Author abstract) 16 Refs.
