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纳米晶体钒热稳定性的分子动力学模拟

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摘要 用分子动力学技术,结合分析型嵌入原子方法模拟计算了平均晶粒尺寸为2.86~7.50nm的纳米晶体钒的微观结构及其热稳定性.用原子键对分析技术区分了晶粒与晶界原子,发现晶界原子所占的比例随晶粒尺寸的减小明显提高,晶体中原子的平均能量要较普通单晶的高.从原子平均势能、晶界原子比率以及径向分布函数随温度的变化关系得出纳米晶体钒的热稳定温度,发现随晶粒尺寸的减小纳米晶体钒的热稳定温度明显降低.最后还讨论了引起这种热稳定温度降低的原因.
出处 《中国科学(E辑)》 CSCD 北大核心 2006年第9期960-968,共9页 Science in China(Series E)
基金 国家自然科学基金资助项目(批准号:50371026)
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参考文献17

  • 1Natter H,L(o)ffler M S,Krill C E,et al.Crystallite growth of nanocrystalline transition metals studied in situ by high Temperature synchrotron X-ray diffraction.Scripta Mater,2001,44:2321-2325
  • 2Gleiter H.Nanocrystalline materials.Prog Mater Sci,1989,33:223-315
  • 3Würschum R,Gruss S,Gissibl B,et al.Free volumes and thermal stability of electro-deposited nanocrystalline Pd.Nanostruct Mater,1997,9:615-618
  • 4Wu¨rschum R,Reimann K,Gruss S,et al.Structure and diffusional properties of nanocrystalline Pd.Phil Mag B,1997,76:407-417
  • 5Inami T,Okuda S,Maeta H,et al.Thermal stability of nanocrystalline gold studied by X-ray diffraction method.Mater Trans JIM,1998,39:1029-1032
  • 6Inami T,Kobiyama M,Okuda S,et al.Grain size measurement of nanocrystalline gold by X-ray diffraction method.Nanostruct Mater,1999,12:657-660
  • 7Moldovan D,Yamakov V,Wolf D,et al.Scaling behavior of grain-rotation-induced grain growth.Phys Rev L,2002,89:206101/1-4
  • 8Haslam A J,Phillpot S R,Wolf D,et al.Mechanisms of grain growth in nanocrystalline fcc metals by molecular-dynamics simulation.Materials Science and Engineering A,2001,318:293-312
  • 9Honeycutt J D,Andersen H C.Molecular dynamics study of melting and freezing of small Lennard-Jones clusters.J Phys Chem,1987,91:4950-4963
  • 10Hu W Y,Xiao S F,Yang J Y,et al.Melting evolution and diffusion behavior of vanadium nanoparticles.The European Physical Journal B,2005,45:547-554

二级参考文献2

  • 1常明,物理学报,1997年,46卷,1319页
  • 2常明,物理学报,1993年,42卷,446页

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