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快速碰撞纳米颗粒的强烈塑性变形与软化

Strong plastic deformation and softening of fast colliding nanoparticles.

作者信息

Takato Yoichi, Sen Surajit, Lechman Jeremy B

机构信息

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

Sandia National Laboratories, Albuquerque, New Mexico 87185, USA.

出版信息

Phys Rev E Stat Nonlin Soft Matter Phys. 2014 Mar;89(3):033308. doi: 10.1103/PhysRevE.89.033308. Epub 2014 Mar 17.

Abstract

Nanoparticles, with sizes ranging between 1 and ∼102 nm, show dynamical properties distinctly different than those of bulk materials. Due to their large surface area to volume ratio, their properties often depend on length scales. We investigate the size and the collision velocity (vcoll) dependence of the coefficient of restitution (COR) for nanoparticles made of a face-centered cubic lattice of Lennard-Jones atoms via nonequilibrium molecular dynamics simulations. A sharp crossover between elastic collision and plastic collision occurs when vcoll=vY, where vY is the size-dependent yield velocity. For high-collision velocities the COR ∼vcoll-α, α∼1. This result is in agreement with recent small system simulations and with experiments and is distinct from the elasticity-theory-based result for COR for inelastic collisions which behaves as vcoll-α, with α=14. We find that the size-dependent critical vY approaches the theoretical constant value for macroscopic spheres as our particle sizes grow. Possible insights into the origins of α∼1 and the size dependence of the yield velocity are suggested. The work also suggests that sufficiently fast moving nanoparticles traveling through vacuum could be sticky and hence could be of potential interest in many applications.

摘要

尺寸在1至约102纳米之间的纳米颗粒,其动力学性质与块状材料截然不同。由于它们具有很大的表面积与体积比,其性质往往取决于长度尺度。我们通过非平衡分子动力学模拟,研究了由 Lennard-Jones 原子的面心立方晶格构成的纳米颗粒的恢复系数(COR)对尺寸和碰撞速度(vcoll)的依赖性。当vcoll = vY时,弹性碰撞和塑性碰撞之间会发生急剧转变,其中vY是与尺寸相关的屈服速度。对于高碰撞速度,COR ∼ vcoll-α,α ∼ 1。这一结果与最近的小系统模拟以及实验结果一致,并且与基于弹性理论的非弹性碰撞COR结果不同,后者表现为vcoll-α,α = 14。我们发现,随着颗粒尺寸的增大,与尺寸相关的临界vY接近宏观球体的理论常数。文中对α ∼ 1的起源以及屈服速度的尺寸依赖性提出了可能的见解。这项工作还表明,在真空中快速移动的纳米颗粒可能具有粘性,因此在许多应用中可能具有潜在价值。

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