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Computer Simulation of Nanoparticle Aggregate Fracture

机译:纳米粒子骨料骨折的计算机模拟

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Nanoparticle aggregates have been found to possess unique mechanical properties. Aggregates of metal nanoparticles can be strained up to 100% before failure, and even typically brittle materials are observed to have a ductile failure mode. In this effort two materials; namely silver and silicon, were chosen to represent ductile and brittle materials, respectively. Aggregates with 2 to 6 particles were simulated using the molecular dynamics (MD) algorithm to determine the stress-strain behavior of the aggregate. Many interesting observations are made including the negligible affect of strain rate on ultimate tensile strength, and the direct relationship between Young's modulus and nanoparticle size.
机译:已发现纳米粒子聚集体具有独特的机械性能。在发生故障之前,金属纳米颗粒的聚集可以应变至100%,并且甚至通常观察到脆性材料具有延性衰竭模式。在这项努力中的两种材料;选择银和硅,分别选择延性和脆性材料。使用分子动力学(MD)算法模拟具有2至6个颗粒的聚集体以确定聚集体的应力 - 应变行为。许多有趣的观察结果包括忽略不计的应变率对极限拉伸强度的影响,以及杨氏模量和纳米粒子尺寸之间的直接关系。

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