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李萍,储潜,严思梁,纪小虎,薛克敏.钛单晶纳米柱拉压不对称性的分子动力学模拟[J].稀有金属材料与工程(英文),2019,48(6):1835~1840.[Li Ping,Chu Qian,Yan Siliang,Ji Xiaohu and Xue Kemin.Study on the Unsymmetry of Tension and Compression in Titanium Single-crystal Nanopillars Based on Molecular Dynamics Simulation[J].Rare Metal Materials and Engineering,2019,48(6):1835~1840.]
Study on the Unsymmetry of Tension and Compression in Titanium Single-crystal Nanopillars Based on Molecular Dynamics Simulation
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Received:January 16, 2018  Revised:January 28, 2018
DOI:
Key words: Molecular dynamics  titanium single-crystal  reoriented crystal  twinning  dislocation
Foundation item:国家自然科学基金项目(51675154),
Author NameAffiliation
Li Ping,Chu Qian,Yan Siliang,Ji Xiaohu and Xue Kemin  
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Abstract:
      The plastic deformation mechanisms of the titanium single-crystal nanopillars under both tension and compression were studied with the molecular dynamics simulation method. In this work, the research focuses on two aspects around the microscopic deformation mechanisms: stress-strain analysis and the evolution of atomistic configuration. The results indicate that the {101 ?2} twinning and stacking fault dominate the tension deformation along the [0001] direction. The slip is the principal factor leading to the initial yielding and then the pyramidal slip occurs to coordinate both vertical and horizontal strains for the compression condition along the [0001] direction. Additionally, no twinning is found in compression. Besides the conventional {101 ?2} plane, semi-coherent basal-prismatic interfaces between parent and reoriented crystal were also observed under tensile loading.