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国家自然科学基金(11002011)

作品数:4 被引量:21H指数:3
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Cu/SiC复合材料界面力学行为的多尺度模拟
本文建立了Cu/SiC复合材料有限厚度的界面模型,采用Tersoff势函数和嵌入原子方法(EAM)分别描述Cu/SiC复合材料中各组分材料的原子间作用,并通过Morse势函数建立界面原子间相互作用关系。基于对Cu/SiC...
周艳光杨振宇
关键词:分子动力学多尺度
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Coupling effects of stress and ion irradiation on the mechanical behaviors of copper nanowires被引量:6
2013年
By using molecular dynamics simulations,we studied the ion irradiation induced damage in mechanically strained Cu nanowires and evaluated the effects of damage on the mechanical properties of nanowires.The stresses in the pre-strained nanowires can be released significantly by the dislocation emission from the cascade core when the strain is greater than 1%.In addition,comparison of the stress-strain relationships between the defect-free nanowire and the irradiated ones indicates that ion irradiation reduces the yield strength of the Cu nanowires,and both the yield stress and strain decrease with the increase of irradiation energy.The results are consistent with the microscopic mechanism of damage production by ion irradiation and provide quantitative information required for accessing the stability of nanomaterials subjected to mechanical loading and irradiation coupling effects.
YANG ZhenYuJIAO FeiFeLU ZiXingWANG ZhiQiao
关键词:离子辐射纳米线分子动力学模拟胁迫机械性能
How to identify dislocations in molecular dynamics simulations?被引量:11
2014年
Dislocations are of great importance in revealing the underlying mechanisms of deformed solid crystals.With the development of computational facilities and technologies,the observations of dislocations at atomic level through numerical simulations are permitted.Molecular dynamics(MD)simulation suggests itself as a powerful tool for understanding and visualizing the creation of dislocations as well as the evolution of crystal defects.However,the numerical results from the large-scale MD simulations are not very illuminating by themselves and there exist various techniques for analyzing dislocations and the deformed crystal structures.Thus,it is a big challenge for the beginners in this community to choose a proper method to start their investigations.In this review,we summarized and discussed up to twelve existing structure characterization methods in MD simulations of deformed crystal solids.A comprehensive comparison was made between the advantages and disadvantages of these typical techniques.We also examined some of the recent advances in the dynamics of dislocations related to the hydraulic fracturing.It was found that the dislocation emission has a significant effect on the propagation and bifurcation of the crack tip in the hydraulic fracturing.
LI DuoWANG Feng ChaoYANG Zhen YuZHAO Ya Pu
关键词:分子动力学模拟位错发射水力压裂计算设备
Effect of the size and pressure on the modified viscosity of water in microchannels被引量:4
2015年
The phenomenon that flow resistances are higher in micro scale flow than in normal flow is clarified through the liquid viscosity. Based on the experimental results of deionized water flow in fused silica microtubes with the inner radii of 2.5 μm, 5 μm, 7.5 μm, and 10 μm, respectively,the relationship between water flow velocity and pressure gradient along the axis of tube is analyzed, which gradually becomes nonlinear as the radius of the microtube decreases.From the correlation, a viscosity model of water flow derived from the radius of microtube and the pressure gradient is proposed. The flow results modified by the viscosity model are in accordance with those of experiments, which are verified by numerical simulation software and the Hagen–Poiseuille equation. The experimental water flow velocity in a fused silica microtube with diameter of 5.03 μm, which has not been used in the fitting and derivation of the viscosity model,is proved to be comsistent with the viscosity model, showing a rather good match with a relative difference of 5.56%.
Zhao-Miao LiuYan Pang
关键词:压力梯度液体粘度微通道数值模拟软件
Strenghening mechanism of graphene/Ni nanolayered composite nanowires under uniaxial compression
2016年
Dear Editors,Graphene exhibits excellent mechanical properties and attracts great attention and intensive study in applied physics and material science[1].In particular,the extreme surface-to-volume ratio of graphene makes it possible to be an ideal reinforcement for nanocomposites.Over the past decade,researchers have synthesized graphene-based nanocomposites with superior mechanical properties[2].Kim et al.[3]recently successfully fabricated Cu-and Ni-matrices nanolayered composites reinforced by only a single layer
Zhen Yu YangJian SunZi Xing LuWen Jun Hu
关键词:纳米线单轴
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