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Effects of the Addition of Al on Local Structure of AlxCoCrFeCu High-Entropy Alloys Studied by Molecular Dynamics Simulation

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The Al effect on the resulting structure of the AlxCoCrFeCu high-entropy alloys is studied by using molecular dynamic simulation method. Root-mean-square-distances (RMSD), the radial distribution function (RDF) and the Honeycutt-Andersen pair analysis (HA) were calculated to determine structure for these HEA systems. A mixture of bcc and amorphous was observed in these HEA systems. The increasing number of Al causes in the decreasing content of bcc structure in the mixture.

Keywords: Amorphous; Bcc; High-Entropy Alloy; Molecular Dynamic

Document Type: Research Article

Affiliations: 1: College of Mechanical Engineering, Taiyuan University of Technology, Taiyuan 030024, P. R. China 2: Department of Mechanical Engineering, Taiyuan Institute of Technology, Taiyuan 030008, P. R. China

Publication date: 01 May 2016

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  • Journal of Computational and Theoretical Nanoscience is an international peer-reviewed journal with a wide-ranging coverage, consolidates research activities in all aspects of computational and theoretical nanoscience into a single reference source. This journal offers scientists and engineers peer-reviewed research papers in all aspects of computational and theoretical nanoscience and nanotechnology in chemistry, physics, materials science, engineering and biology to publish original full papers and timely state-of-the-art reviews and short communications encompassing the fundamental and applied research.
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