Molecular dynamics modeling of the Hugoniot states of aluminum
Source abstract
Abstract
In this study, molecular dynamics (MD) simulations coupled with multi-scale shock technique (MSST) are used to predict the Hugoniot curve PH, Grüneisen coefficient γ and melting temperature Tm of single crystal (SC) and nanocrystalline (NC) aluminum (Al) with grain sizes of 6 and 60 nm at dynamic high pressure. The linear relation between the shock wave velocity and particle velocity is reproduced, and the results indicate that there is nearly no difference for the Hugoniot of SC and NC Al, which could be explained by the fact that the grain size effect on PH can be negligible at high pressure. Some empirical models are used to predict γ and Tm, which exhibit an opposite behavior. In addition, it is found that the melting pressure and temperature are 107.5 GPa, 3063 K for SC Al, while they are 109.5 GPa, 3082 K for NC Al, which have a reasonable agreement with the published work.
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Research context
OpenAlex topics: High-pressure geophysics and materials · Energetic Materials and Combustion · Boron and Carbon Nanomaterials Research
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
College of Architecture and Environment, Sichuan University 1 , Chengdu 610065, PR China
School of Environment and Resource, Southwest University of Science and Technology 2 , Mianyang 621000, PR China
Shock and Vibration of Engineering Materials and Structures Key Laboratory of Sichuan Province 3 , Mianyang 621000, PR China
Faculty of Materials and Energy, Southwest University 4 , Chongqing 400715, PR China
Funding
Key Foundation of the Sichuan Provience Education Department · NSAF · the Beijing Institute of Applied Physics and Computational Mathematics · the Natural Science Foundation Project of CQ CSTC · the Science and Technology on Reactor System Design Technology Laboratory · the Venture & Innovation Support Program of Chongqing Overseas Returnees
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Show source-provided references
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