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温度对单晶镁拉伸性能影响的分子动力学研究
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1.太原科技大学 重型机械教育部工程研究中心 山西 太原;2.暨南大学 力学与建筑工程学院 广东 广州;3.江苏武进不锈股份有限公司 江苏 常州

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国家重点研发计划(2018YFB1307902);国家自然科学基金(U1710113);山西省研究生联合培养基地人才培养项目(2018JD33);山西省青年拔尖人才;山西省优秀青年基金(201901D211312);山西省高等学校创新人才优秀青年学术带头人;山西省高等学校科技成果转化培育项目(2019KJ028);山西省新兴产业领军人才;山西省研究生教育创新计划 (2019SY482)


Molecular dynamics study of the influence of temperature on tensile properties ofsingle crystal Magnesium
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Affiliation:

1.Heavy Machinery Engineering Research Centre,Taiyuan University of Science and Tech,Taiyuan;2.School of Mechanics and Civil Engineering, JiNan University, Guangzhou;3.Jiangsu Wujin Stainless Steel Co LTD,Jiangsu,Changzhou

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    摘要:

    镁作为一种优质的金属材料广泛的应用于各个领域,人们对于镁分子层面的研究很少。本文主要是运用分子动力学的模拟方法,研究了拉伸速率为10^10s^-1下温度对于单晶镁性能的影响,并对结果进行应力应变分析,势能应变分析,共近邻分析,位错密度分析等操作。结果表明:随着温度的升高,单晶镁的抗拉强度峰值降低,各峰值点产生时对应的应变值随着温度的升高在逐渐的减小;在应力峰值出现前HCP首先转化成Other结构且没有位错产生,在应力峰值过后FCC,BCC结构出现同时产生位错,其中位错主要为1/3<-1100>位错和未知结构位错,对应的晶体结构的转化与位错的产生大约滞后应力峰值点0.45%左右的应变值,并且温度对于滞后值的影响不大,晶体结构的转化和位错的产生也随着温度的升高提前发生。

    Abstract:

    As a kind of high quality metal material, magnesium is widely used in various fields. There is little research on the molecular level of magnesium. In this paper, the effect of temperature on the properties of single crystal magnesium at a tensile rate of 10^10s^-1 was studied by using molecular dynamics simulation method, and stress-strain analysis, potential energy strain analysis, common neighbor analysis, dislocation density analysis and other operations were performed on the results. The results show that the peak tensile strength of monocrystalline magnesium decreases with the increase of temperature, and the corresponding strain value of each peak point decreases with the increase of temperature. HCP before the peak stress appears first converted into Other structures without dislocation, after the peak stress in the FCC, BCC structure appeared at the same time produce dislocation, dislocation mainly for 1/3<-1100> dislocation and unknown dislocation structure, the corresponding crystal structure transformation and the generation of dislocation about lag strain values of stress peaks around 0.45%, and the effects of temperature on lag value is not big, crystal structure transformation and the generation of dislocation and with the increase of temperature in advance.

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薛春,杨千华,楚志兵,桂海莲,拓雷锋,高虹,沈卫强.温度对单晶镁拉伸性能影响的分子动力学研究[J].稀有金属材料与工程,2021,50(5):1812~1816.[Xue Chun, Yang Qianhua, Chun Zhibing, Gui Hailian, Tuo Leifeng, Gao Hong, Shen Weiqiang. Molecular dynamics study of the influence of temperature on tensile properties ofsingle crystal Magnesium[J]. Rare Metal Materials and Engineering,2021,50(5):1812~1816.]
DOI:10.12442/j. issn.1002-185X.20200471

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历史
  • 收稿日期:2020-07-03
  • 最后修改日期:2020-08-26
  • 录用日期:2020-08-28
  • 在线发布日期: 2021-06-09
  • 出版日期: 2021-05-25