作者
Byeong-Joo Lee, MI Baskes, Hanchul Kim, Yang Koo Cho
发表日期
2001/10/15
期刊
Physical Review B
卷号
64
期号
18
页码范围
184102
出版商
American Physical Society
简介
The second nearest-neighbor modified embedded atom method (MEAM)[Phys. Rev. B 62, 8564 (2000)], developed in order to solve problems of the original first nearest-neighbor MEAM on bcc metals, has now been applied to all bcc transition metals, Fe, Cr, Mo, W, V, Nb, and Ta. The potential parameters could be determined empirically by fitting to (∂ B/∂ P), elastic constants, structural energy differences among bcc, fcc and hcp structures, vacancy-formation energy, and surface energy. Various physical properties of individual elements, including elastic constants, structural properties, point-defect properties, surface properties, and thermal properties were calculated and compared with experiments or high level calculations so that the reliability of the present empirical atomic-potential formalism can be evaluated. It is shown that the present potentials reasonably reproduce nonfitted properties of the bcc transition …
引用总数
20032004200520062007200820092010201120122013201420152016201720182019202020212022202320249182321252023252022253643394245404949625854