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Modeling and simulating of high chromium alloy based on Molecular Dynamics

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Indexed by:会议论文

Date of Publication:2017-05-29

Journal:17th International Conference of the European Society for Precision Engineering and Nanotechnology, EUSPEN 2017

Included Journals:EI、Scopus

Page Number:313-314

Abstract:Based on manufacturing process of alloys, a method for constructing the molecular dynamics (MD) model was proposed to study the machinability of a new type of high chromium. The MD model of high chromium alloy was established based on alloy structure with twice atomic random permutation. And then, according to the actual manufacturing process of the high chromium, a quenching process was introduced to simulate the high chromium alloy. The accuracy of the model was verified by calculating the nanohardness and density of the high chromium alloy model after adequate relaxation. Using the new MD model, a series of MD simulations was performed to investigate the nanomechanical property of the high chromium alloy. The results showed that the nanohardness is about 6.951 GPa - 8.095 GPa, and the density is about 7.549 g/cm3, which agreed with the results of actual experimental measurement. The material and the deformation property of the high chromium alloy were stable during the indentation process.

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