首页|基于分子动力学模拟的Cu-Zr/Al复合材料的变形行为

基于分子动力学模拟的Cu-Zr/Al复合材料的变形行为

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采用分子动力学模拟方法研究了 Zr含量对Cu/Al层状复合材料拉伸变形行为的影响,使用取代掺杂的方式用Zr取代Cu/Al层状复合材料中的Cu,取代比例分别为0.25%、0.45%、0.65%、0.85%和1.05%.结果表明:随着Zr取代比例的增加,Cu-Zr/Al复合材料的极限拉伸强度和最大拉伸应变呈现波动变化的趋势.当Zr的取代比例为0.85%时,复合材料的极限抗拉强度和最大拉伸应变最大,继续增加Zr的含量则会使极限拉伸强度和最大拉伸应变都减小.随着应变的增加,FCC结构、BCC结构以及HCP结构会发生相互转化,沿Y轴进行拉伸时,初始阶段相结构转变更加明显;随着Zr取代比例的增加,塑性变形过程中复合材料的晶型转变将会推迟进行,Shockley不全位错在塑性变形过程中起主导作用,且沿Y轴拉伸时的位错线长度大于沿Z轴拉伸时的位错线长度,同时由于Zr元素的加入,影响位错的扩散,导致复合材料的位错密度降低,从而提高其强度.
Deformation behaviour of Cu-Zr/Al composites based on molecular dynamics simulation
Effect of Zr content on tensile deformation behavior of Cu/Al layered composites was studied using molecular dynamics simulation method.Cu in Cu/Al layered composites was replaced by Zr through substitution doping,with substitution ratios of 0.25%,0.45%,0.65%,0.85%and 1.05%,respectively.The results show that with the increase of Zr substitution ratios,the ultimate tensile strength and maximum tensile strain of the Cu-Zr/Al composites exhibit a fluctuating trend.When the substitution ratio of Zr is 0.85%,the ultimate tensile strength and maximum tensile strain of the composites are maximum.Continuing to increase the content of Zr will reduce both the ultimate tensile strength and maximum tensile strain.As the strain increases,the FCC structure,BCC structure,and HCP structure undergo mutual transformation.When tensile along the Y-axis,the initial phase structure transformation becomes more pronounced.With the increase of Zr substitution ratios,the crystal transformation of the composites during plastic deformation will be delayed.Shockley incomplete dislocations play a dominant role in the plastic deformation process,and the length of the dislocation line when tensile along the Y-axis is greater than that when tensile along the Z-axis.At the same time,the addition of Zr element affects the diffusion of dislocations,leading to a decrease in dislocation density of the composites and an increase in its strength.

Cu-Zr/Al compositesmolecular dynamics simulationtensile deformation mechanism

张飞扬、王文焱、谢敬佩、王爱琴、朱晓龙、崔云峰

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河南科技大学材料科学与工程学院,河南洛阳 471023

有色金属新材料与先进加工技术省部共建协同创新中心,河南洛阳 471023

洛阳双瑞万基钛业有限公司,河南洛阳 471832

Cu-Zr/Al复合材料 分子动力学模拟 拉伸变形机制

国家重点研发计划

2021YFB3701300

2024

材料热处理学报
中国机械工程学会

材料热处理学报

CSTPCD北大核心
影响因子:0.958
ISSN:1009-6264
年,卷(期):2024.45(10)