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柔软且粘性的晶体纳米颗粒的丰富碰撞动力学:数值实验

Rich collision dynamics of soft and sticky crystalline nanoparticles: numerical experiments.

作者信息

Takato Yoichi, Benson Michael E, Sen Surajit

机构信息

Department of Physics, The State University of New York at Buffalo, Buffalo, New York 14260-1500.

出版信息

Phys Rev E Stat Nonlin Soft Matter Phys. 2015 Sep;92(3):032403. doi: 10.1103/PhysRevE.92.032403. Epub 2015 Sep 9.

Abstract

A molecular dynamics study on the collisional dynamics of soft and sticky single face-centered cubic crystal nanoparticles is presented. The softness and stickiness of the nanoparticles are controlled by varying parameters in the Lennard-Jones potential that is used to describe the interatomic interactions. Softening of nanoparticles due to extensive plastic deformations is observed as was previously found in hard nanoparticles. Further, two primary plastic deformation modes, slip and twinning, of the nanoparticles are found to play important roles in the temperature dependence of the coefficient of restitution. Additionally, we observe the effects of surface roughness, facets, and edges in the collisional behaviors of the sticky nanoparticles in low-velocity collisions. Nevertheless, the Johnson-Kendall-Roberts theory for macroscopic adhesive bodies still remains valid in nearly spherical nanoparticles.

摘要

本文介绍了关于软粘性单面心立方晶体纳米颗粒碰撞动力学的分子动力学研究。通过改变用于描述原子间相互作用的 Lennard-Jones 势中的参数来控制纳米颗粒的柔软性和粘性。正如之前在硬纳米颗粒中所发现的那样,观察到了由于广泛塑性变形导致的纳米颗粒软化现象。此外,发现纳米颗粒的两种主要塑性变形模式——滑移和孪生,在恢复系数的温度依赖性中起着重要作用。此外,我们观察了表面粗糙度、晶面和边缘对粘性纳米颗粒在低速碰撞中碰撞行为的影响。然而,宏观粘合体的 Johnson-Kendall-Roberts 理论在近球形纳米颗粒中仍然有效。

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