非晶Cu形成过程及其力学性能的微观机理研究

王广海; 潘晖; 柯孚久; 夏蒙棼; 白以龙

非晶Cu形成过程及其力学性能的微观机理研究

1.
北京航空航天大学理学院, 北京 100083
2. 北京大学物理系, 北京 100080
3. 中国科学院力学所非线性力学国家重点实验室, 北京100080

基金项目: 国家自然基金资助项目(10528205;10372012;10432050;10472118)

详细信息

作者简介:
王广海(1982-),男,山东济宁人,硕士生,chinawanggh@gmail.com.

中图分类号: O 469
计量
- 文章访问数: 2929
- HTML全文浏览量: 220
- PDF下载量: 1125
- 被引次数: 0
出版历程
- 收稿日期: 2006-08-23
- 网络出版日期: 2007-06-30

Microscopic study of formation and mechanical properties of amorphous Cu

1.
School of Science, Beijing University of Aeronautics and Astronautics, Beijing 100083, China
2. Deparment of Physics, Peking University, Beijing 100080, China
3. State Key Laboratory of Non-linear Mechanics (LNM), Institute of Mechanics, Chinese Academy of Sciences,Beijing,100080,China

摘要

摘要: 用分子动力学方法模拟了非晶Cu的形成过程,研究了非晶Cu力学性能的微观机理.用径向分布函数(RDF)和键对分析方法(PA),分析了快速冷却过程中系统内部结构的变化.非晶Cu径向分布函数第2个峰有明显的劈裂,键对分析表明,在快速降温过程中2331,2211和2101键对的增多是径向分布函数第2峰劈裂的原因.对非晶Cu进行拉伸、剪切加载模拟,结果表明,非晶Cu应力达到最大值之后,没有应力值的突降,宏观上出现类似塑性变形的行为.但是,非晶金属变形的微观机理不同于晶体.本文引入微观数密度统计分析,发现加载过程中微观密度呈现非均匀演化,这为理解宏观类似塑性行为的微观机理提供了线索和可能的分析方法.
- 分子动力学 /
- 非晶 /
- 拉伸 /
- 剪切
Abstract: The microscopic mechanism of the formation and mechanical behavior of amorphous Cu were studied by using molecular dynamics simulation method. The radial distribution function(RDF) and the pair analysis(PA) technique were used to characterize the structure of Cu during solidification. The splitting of the second peak of the RDF in amorphous state, is caused mainly by the increase of 2101, 2211, 2331 pairs. Simulations of tension and shear tests show that the deformation of the amorphous Cu is similar to that of crystalline metals. However, the microscopic mechanism of deformation of amorphous metal is different from that of crystals. In order to understand the microscopic mechanism, the statistical evolution of microscopic number density was analyzed. It was found that the evolution of microscopic density presents inhomogeneity, which may play an important role in the deformation.
- molecular dynamics /
- amorphous /
- tensile testing /
- shearing

HTML全文

参考文献(1)

[1] Klement W, Willens R, Duwez P.Non-crystalline structure in solidified gold-silicon alloys[J]. Nature,1960,187(4740):869 [2] Wang W H.Bulk metallic glasses [J]. Mater Sci Eng R ,2004,44:45-89 [3] Spapen F. A microscopic mechanism for steady state inhomogeneous flow in metallic glasses [J]. Acta Metall ,1977,25(4):407-415 [4] Argon A. Plastic deformation in metallic glasses [J]. Acta Metall, 1979,27(1):47-58 [5] Falk M L. Dynamics of viscoplastic deformation in amorphous solids[J]. Phys Rev E,1998, 57(6):7192-7205 [6] Ackland G J,Vitek V.Many-body potentials and atomic-scale relax-tions in noble-metal allys[J]. Phys Rev B,1990,41(15) :10324-10336 [7] 王海龙,王秀喜,梁海弋.金属Cu晶化与玻璃化行为的分子动力学模拟[J].化学物理学报,2005,18(6):987-992 Wang Hailong,Wang Xiuxi,Liang Haiyi.Molecular dynamics simula-tion of crystallizing and vitrifying process for metal Cu[J]. Chin J Chen Phys, 2005,18(6):987-992(in Chinese) [8] Ciccotti G, Guillope M,Pontikis V. High-angle grain- boundary premelting transition:a molecular-dynamics study [J]. Phys Rev B,1983, 27(9):5576-5585 [9] Honeycutt,Andersen.Molecular dynamics study of melting and freezing of small Lennard-Johes clusters[J].J Phys Chem,1987, 91(19):4950-4963 [10] Gang Duan,Donghua Xu. Molecular dynamics study of the binary Cu₄₆Zr₅₄ metallic glass motivated by experiments:glass formation and atomic-level structure [J]. Phys Rev B,2005, 71 (22):224208 [11] Li G X, Liang Y F. Microstructural analysis of the radial distribution function for liquid and amorphous Al[J].J Phys:Condens Matter, 2003, 15:2259-2267 [12] Nicholas P B.Atomic simulation of the shear-band deformation mechanism in Mg-Cu metallic glasses[J]. Phys Rev B, 2006, 73(6):064108 [13] 梁海弋,王秀喜.纳米铜丝尺寸效应的分子动力学模拟[J].力学学报,2002,34(2):208-215 Liang Haiyi,Wang Xiuxi.Molechular dynamics simulation of length scale effects on tension crystal line line copper line[J]. Acta Mecha-nica Sinica, 2002,34(2):208-215(in Chinese)

施引文献

资源附件(0)

访问统计