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DOI：
10.1215/9781478003335-070
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发表时间：
1935-03
期刊：
影响因子：
--
通讯作者：
J. M. Kizza
中科院分区：
文献类型：
--
作者：
J. M. Kizza
本文提出了一种基于原子间势的新晶体连续热应力理论。通过谐波模型考虑有限温度的影响。本文采用铜的EAM势，并通过计算温度对比热、热膨胀系数和晶格常数的影响进行验证。然后我们计算铜在有限温度下的弹性常数。计算结果与实验数据吻合较好。将热应力理论应用于各向异性晶体石墨，其中采用了布伦纳势。计算了石墨的热力学性质、晶格常数和热应变的温度依赖性。计算结果也与实验数据吻合良好。
This paper presents a new continuum thermal stress theory for crystals based on interatomic potentials. The effect of finite temperature is taken into account via a harmonic model. An EAM potential for copper is adopted in this paper and verified by computing the effect of the temperature on the specific heat, coefficient of thermal expansion and lattice constant. Then we calculate the elastic constants of copper at finite temperature. The calculation results are in good agreement with experimental data. The thermal stress theory is applied to an anisotropic crystal graphite, in which the Brenner potential is employed. Temperature dependence of the thermodynamic properties, lattice constants and thermal strains for graphite is calculated. The calculation results are also in good agreement with experimental data.