当前位置: X-MOL 学术J. Phys. Chem. Solids › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Theoretical study of the size dependencies of the thermodynamic properties of tungsten at various pressures and temperatures
Journal of Physics and Chemistry of Solids ( IF 4 ) Pub Date : 2021-01-20 , DOI: 10.1016/j.jpcs.2021.109964
S.P. Kramynin

The parameters of the paired 4-parametric interatomic potential of Mie-Lennard-Jones for bcc-W were obtained. The equation of state, baric and size dependencies of the coefficient of thermal volume expansion, elastic modulus, specific isobaric heat capacity and also specific surface energy of tungsten macro- and nano-crystal were calculated using obtained parameters of interatomic potential. The pressure derivatives of these dependencies were studied also.



中文翻译:

钨在不同压力和温度下的热力学性质的尺寸依赖性的理论研究

获得Mcc-Lennard-Jones对bcc-W的成对4参数间原子势的参数。利用获得的原子间电势参数,计算了热体积膨胀系数,弹性模量,等压比热容以及钨大晶体和纳米晶体的比表面能的状态,钡和尺寸依赖性。还研究了这些依赖性的压力导数。

更新日期:2021-01-28
down
wechat
bug