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ON THE RELATIONSHIP BETWEEN THE EMBEDDED-ATOMMETHOD FUNCTION OF TITANIUM AND TEMPERATURE

ON THE RELATIONSHIP BETWEEN THE EMBEDDED-ATOMMETHOD FUNCTION OF TITANIUM AND TEMPERATURE
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摘要 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. 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.
机构地区 Fudan Univ
出处 《Acta Metallurgica Sinica(English Letters)》 SCIE EI CAS CSCD 1999年第2期143-148,共6页 金属学报(英文版)
关键词 Computer simulation Crystal atomic structure Elastic moduli Free energy Metallic matrix composites Thermal effects Computer simulation Crystal atomic structure Elastic moduli Free energy Metallic matrix composites Thermal effects
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