Embedded Atom Method-Based Geometry Optimization Aspects of Body-Centered Cubic Metals  

作　　者：M.Güler E.Güler 

机构地区：[1]Department of Physics,Hitit University,19030 Corum,Turkey

出　　处：《Chinese Physics Letters》2013年第5期112-115,共4页中国物理快报（英文版）

摘　　要：We present embedded atom method-based geometry optimization calculations for Fe, Cr, Mo, Nb, Ta, V and W body-centered cubic metals with Finnis–Sinclair potentials. After the optimization, we determine their typical elastic constants, bulk modulus, shear modulus, Young's modulus, Poisson's ratios, elastic wave velocities and cohesive energies. Additionally, we perform a benchmark between the experiments and the available density functional theory results. In general, our results show a good consistency with previous findings on the elastic and cohesive energy properties of the considered metals.

关 键 词：MODULUS OPTIMIZATION CUBIC 

分 类 号：O17[理学—数学]