Molecular Dynamics Simulations of the Effect of Temperature and Strain Rate on the Plastic Deformation of Body-Centered Cubic Iron Nanowires

IF 1.5 4区 材料科学 Q3 ENGINEERING, MECHANICAL
Qian Wu, Yong Wang, T. Han, Hongtao Wang, Laihui Han, Liangliang Bao
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引用次数: 4

Abstract

The tensile tests of body-centered cubic (BCC) Fe nanowires were simulated through molecular dynamics methods. The temperature and strain rate effects on the mechanical properties as well as the orientation-dependent plastic deformation mechanism were analyzed. For [001]-oriented BCC Fe nanowires, as the temperature increased, the yield stress and Young’s modulus decreased. While the yield stress and Young’s modulus increased as the strain rate increased. With the increase in temperature, when the temperature was less than 400 K, the twin propagation stress decreased dramatically, and then tended to reach a saturation value at higher temperatures. Under different temperatures and strain rates, the [001]-oriented Fe nanowires all deformed by twinning. The oscillation stage in the stress–strain curve corresponds to the process from the nucleation of the twin to the reorientation of the nanowire. For [110]-oriented Fe nanowires, the plastic deformation is dominated by dislocation slip. The independent events such as the nucleation, slip, and annihilation of dislocations are the causes of the unsteady fluctuations in the stress–strain curve. The Fe nanowires eventually undergo shear damage along the dominant slip surface.
温度和应变速率对体心立方铁纳米线塑性变形影响的分子动力学模拟
采用分子动力学方法模拟了体心立方(BCC)铁纳米线的拉伸试验。分析了温度和应变速率对合金力学性能的影响以及取向相关的塑性变形机理。对于[001]取向的BCC Fe纳米线,随着温度的升高,屈服应力和杨氏模量减小。屈服应力和杨氏模量随应变速率的增大而增大。随着温度的升高,当温度低于400 K时,孪晶扩展应力急剧减小,并在较高温度下趋于饱和。在不同温度和应变速率下,[001]取向铁纳米线均发生孪晶变形。应力-应变曲线的振荡阶段对应于孪晶成核到纳米线重取向的过程。[110]取向铁纳米线的塑性变形主要是位错滑移。位错的形核、滑移和湮灭等独立事件是导致应力-应变曲线不稳定波动的原因。铁纳米线最终沿主要滑移面发生剪切损伤。
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来源期刊
CiteScore
3.00
自引率
0.00%
发文量
30
审稿时长
4.5 months
期刊介绍: Multiscale characterization, modeling, and experiments; High-temperature creep, fatigue, and fracture; Elastic-plastic behavior; Environmental effects on material response, constitutive relations, materials processing, and microstructure mechanical property relationships
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