Goswami Pragyan, Gupta Manoj, Pal Snehanshu
Department of Metallurgical and Materials Engineering, National Institute of Technology, Rourkela, Odisha, 769008, India.
Mechanical Engineering, National University of Singapore, Queenstown, 117575, Singapore.
J Mol Model. 2022 Oct 29;28(11):370. doi: 10.1007/s00894-022-05360-z.
In the present study, investigating the effect of ballistic penetration of spherical projectiles on a monocrystalline magnesium specimen is performed using embedded atom method (EAM) potential in molecular dynamics (MD) simulation. The dynamic investigations of structural evolution based on common neighbor analyses and Wigner-Seitz defect analysis are carried out for the varying depths of penetration and velocities of the projectile (v = 2 km s, 6 km s, and 10 km s). It is found that the extent of amorphization in the specimen is more in the case of higher depth and lower projectile velocity. Voronoi cluster analyses are also done to identify cluster distribution and their transformation during ballistic penetration, which is accompanied by atomic strain and displacement vector evaluation to give light to the effect of shear strain and displacement of atoms respectively. According to Voronoi cluster analysis, Voronoi polyhedra having < 0, 4, 4, 6 > and < 0, 6, 0, 8 > clusters exhibit a higher population during hypervelocity projectile penetration. The findings have potential applications in hypervelocity applications such as defense and space technologies.
在本研究中，利用分子动力学（MD）模拟中的嵌入原子方法（EAM）势，对球形射弹对单晶硅镁试样的弹道穿透效应进行了研究。基于共同邻域分析和维格纳-赛茨缺陷分析，对射弹在不同穿透深度和速度（v = 2 km/s、6 km/s和10 km/s）下的结构演化进行了动态研究。结果发现，在较高深度和较低射弹速度的情况下，试样中的非晶化程度更高。还进行了沃罗诺伊聚类分析，以识别弹道穿透过程中的聚类分布及其转变，同时进行原子应变和位移矢量评估，以分别揭示剪切应变和原子位移的影响。根据沃罗诺伊聚类分析，具有<0, 4, 4, 6>和<0, 6, 0, 8>聚类的沃罗诺伊多面体在超高速射弹穿透过程中表现出更高的数量。这些发现有望应用于国防和太空技术等超高速应用领域。
