MOLECULAR DYNAMICS OBSERVATION OF DISCRETENESS OF THE MASS DISTRIBUTION DURING NANOSCALE FRAGMENTATION

IF 0.5 Q4 ENGINEERING, MULTIDISCIPLINARY Journal of the Serbian Society for Computational Mechanics Pub Date : 2021-12-30 DOI:10.24874/jsscm.2021.15.02.02
S. Mastilovic
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Abstract

Molecular dynamics simulations of the rigid-anvil collision test are performed by using a two-dimensional computational setup that mimics the traditional ballistic Taylor test. In this extensively utilized computational setup, the slender nanoscale projectiles collide with a rigid wall with hypersonic striking velocities ranging from 3 km/s to 30 km/s. The projectiles used in these simulations are flat-ended, monocrystalline, nanoscale bars prepared at zero temperature. The Poisson hyper-exponential distribution with the logarithmic binning is used to capture the fragment mass (size) distribution under the constraint of the relatively small specimen size 15×100 nm. The objective is to highlight the occurrence of certain discreteness of the fragment mass distribution observed both in time (during the fragment debris evolution) and across the striking velocity field (for the final fragmentation states that correspond to the stationary distributions).
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纳米尺度破碎过程中质量分布离散性的分子动力学观察
采用模拟传统弹道泰勒试验的二维计算装置,对刚性砧碰撞试验进行了分子动力学模拟。在这个广泛使用的计算设置中,细长的纳米级弹丸以3公里/秒到30公里/秒的高超声速撞击刚性壁面。这些模拟中使用的弹丸是在零温度下制备的平端单晶纳米棒。在相对较小的试样尺寸15×100 nm的约束下,采用对数分形的泊松超指数分布来捕获碎片的质量(尺寸)分布。目的是强调在时间上(在碎片碎片演化过程中)和在撞击速度场上(对于与平稳分布相对应的最终破碎状态)观察到的碎片质量分布的某些离散性的发生。
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