论文标题
对球形空隙附近的原子结构进行建模，并计算BCC铁和钨的空隙生长速率各向异性
Modeling the atomic structure in the vicinity of the spherical voids and calculation of void growth rate anisotropy in bcc iron and tungsten
论文作者
论文摘要
我们研究了原子结构在空隙附近其生长速率各向异性的影响。在第一部分中，我们使用高级分子静态方法对Fe和W中纳米类动物附近的原子结构进行建模。在第二部分中，我们使用较早获得的方程式，这些方程式考虑了弹性场的影响来计算空隙表面元件的转移速率，并评估应变张量的组件，我们使用了第一部分的原子结构建模。对在较宽的温度范围内某些过度饱和的几个尺寸的空隙进行计算。具有BCC结构的上述金属的仿真结果表明，位于晶体学方向的原子位移的位移在100、110、111种类型的空隙附近的类型显着差异，并且原子位移的这种各向异性会导致球形对称性的降低，以减少表面元素的移动速率。结果，最初的球形空隙形状得到了刻度。
We study the influence of the atomic structure in the vicinity of voids on their growth rate anisotropy. In the first part, we model the atomic structure in the vicinity of nanovoids in Fe and W using the advanced Molecular Statics method. In the second part, we use the earlier obtained equations that taking the influence of elastic fields into account to calculate the shifting rate of the void surface elements, and to evaluate the components of the strain tensor we use the atomic structure modeling results from the first part. The calculations are performed for voids of several sizes at certain oversaturation's in a wide temperature range. The simulation results for the mentioned metals with a bcc structure show that displacements of atoms located along the crystallographic directions of the 100, 110, 111 types in the vicinity of the voids are significantly different, and this anisotropy of atom displacements leads to a reduction of spherical symmetry for the shifting rate of the surface elements. As the result, the initially spherical void shape becomes faceted.
