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Molecular Dynamics Study on Bending No Defect Single CrystalSilver at Room Temperature

机译：室温弯曲无缺陷单晶银的分子动力学研究

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In order to research fcc metals micro-mechanism of bending and crack initiation and growth,molecular dynamics (MD) was employed to simulate the bending process of single crystal silver (Ag). Anew EAM potential was used in the simulation, the temperature was controlled at 298K by Nose-Hoovermethod. The results show that the bending process is divided into three stages. The deformation is elastic inthe initial stage. Then the deformation is in the flow of plasticity. Finally it is in the stage of crack initiationand growth. However dislocations are not found in the plastic stage of such high speed bending of singlecrystal silver. In the stage of crack initiation and growth, vacancies are produced, then dislocations areeasily formed near the vacancies, and vacancies combine to form crack initiation and growth. The potentialenergy of single crystal silver rises with line in the elastic and plastic stage, and the potential energy in theplastic stage rises with no fluctuation compared with the elastic stage, but the potential energy decreases inthe stage of crack initiation and growth.
机译：为了研究fcc金属弯曲和裂纹萌生与生长的微观机制， 分子动力学（MD）被用来模拟单晶银（Ag）的弯曲过程。一种 模拟中使用了新的EAM电位，Nose-Hoover将温度控制在298K 方法。结果表明，弯曲过程分为三个阶段。变形是弹性的 初始阶段。然后，变形发生在可塑性流中。终于到了裂纹萌生的阶段 和成长。但是，在这种高速弯曲的单层塑料阶段没有发现位错。 水晶银。在裂纹萌生和扩展的阶段，产生空位，然后产生位错。 容易在空位附近形成，并且空位结合形成裂纹萌生和扩展。潜力 在弹性和塑性阶段，单晶银的能量随线增加，而在 与弹性阶段相比，塑性阶段上升且没有波动，但在 裂纹萌生和扩展的阶段。

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