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PHASE STRUCTURE TRANSITION OF LIQUID COPPER DURING RAPID COOLING BY MD SIMULATION |
LI Xiaoping; HAN Qiyong (University of Science and Technology Beijing;Beijing 100083); LIU Hongbo; CHEN Kuiying;HU Zhuangqi(State Key Laboratory of RSA ;Institute of Metal Research; Chinese Academy of Sciences;Shenyang 110015) |
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Cite this article:
LI Xiaoping; HAN Qiyong (University of Science and Technology Beijing;Beijing 100083); LIU Hongbo; CHEN Kuiying;HU Zhuangqi(State Key Laboratory of RSA ;Institute of Metal Research; Chinese Academy of Sciences;Shenyang 110015). PHASE STRUCTURE TRANSITION OF LIQUID COPPER DURING RAPID COOLING BY MD SIMULATION. Acta Metall Sin, 1995, 31(8): 356-362.
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Abstract The structural characteristics of liquid Cu and structural evolution during rapid cooling have been simulated by MD technique. EAM was used as many-body interaction.Bond orientational order parameters and pair analysis technique were applied to detect the microstructure of liquid, supercooled liquid. non- crystalline and crystalline states. It was shown that EAM is able to describe the complicated disorder system. The calculated pair distribution function was almost the same as the experimental result.The calculated critical point of non-crystalline transition was in reasonable agreement with theoretical value.LI Xiaoping,Department of Physical Chemistry, University of Science and Technology Beijing,Beijing 100083
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Received: 18 August 1995
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