经激光束处理的金属Fe的分子动力学研究
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南京理工大学能源与动力工程学院,南京理工大学能源与动力工程学院,南京理工大学能源与动力工程学院

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O3

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江苏省普通高校研究生科研创新计划项目


Molecular dynamics simulation of metal Fe treated by laser beam
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School of Energy and Power Engineering,Nanjing University of Science and Technology

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Research and Innovation Program for Postgraduate of the Higher Education Institution of Jiangsu Province, China

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    摘要:

    采用分子动力学和EAM势函数,建立了金属Fe固液两相模型,实现了液态金属Fe在两种不同冷却速率下的凝固过程,用以模拟激光束对金属Fe的处理作用。通过原子势能、径向分布函数、共同近邻分析和原子构型演化等计算方法,研究了体系演化过程和终态结构特性,得到了在冷却速率为2K/ps和5K/ps时固液分界面稳定传播速度分别为1.74m/(s.K)和0.89m/(s.K);在终态时由于无序原子的存在,原固液分界面处存在能量起伏,同时在原液态部分发现了高能态的原子团簇,为研究经激光束处理后的金属Fe的力学性能提供了微观结构基础。

    Abstract:

    Based on the embedded-atom method, molecular dynamics simulations have been performed on solidification processes of liquid metal Fe by using crystal-liquid configuration method at two different cooling rates.In this way,it simulates the process that metal Fe is treated by laser beam. By the analyses of average atomic energy, pair correlation function, common neighbor analysis and atomic configuration, it is studied that the evolution process of system and the structure characteristic of final state.It is found that the transfer velocities of crystal-liquid interface are 1.74m/(s.K) and 0.89m/(s.K) at cooling rates of 2K/ps and 5K/ps. In the final state,owing to the disordered atoms, some atoms’ engrey are higher than the original state at the interface.And there are some high-energy nanoperticles in the original liquid part.It provides the microstructure foundation to study the mechanical property of metal Fe treated by laser beam.

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引用本文

闻鹏,陶钢,周佩杰. 经激光束处理的金属Fe的分子动力学研究[J]. 科学技术与工程, 2015, 15(12): .
Wen Peng,,Zhou Pei-jie. Molecular dynamics simulation of metal Fe treated by laser beam[J]. Science Technology and Engineering,2015,15(12).

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历史
  • 收稿日期:2014-12-17
  • 最后修改日期:2015-01-08
  • 录用日期:2015-01-26
  • 在线发布日期: 2015-04-27
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