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Potential Energy/Volume Evolution and Atomic Trajectories Analysis of Amorphous Alloys in Nanometric Cutting Process: A Molecular Dynamic Simulation Approach

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Amorphous alloys are subjected to extreme deformation conditions during machining operation. Currently their deformation mechanism at micro-scale during cutting process is still unclear. Based on the changes of potential energy and volume for the cutting layer and the workpiece layer, the deformation behavior of amorphous in the nanometric cutting process was investigated using molecular dynamics simulation. In the cutting layer, various stages of the cutting were analyzed, and it is found that the potential energy of yielding is approximately equal to the value near the glass transition temperature in the cooling process, which supports the view that the yielding is a stress-induced glass transition phenomenon. Further, the free volume at yielding was also calculated (about 3.9%). In the workpiece layer, the potential energy slope of elastic recovery is larger than the system relaxation, which indicates that the effect of stress to amorphous is faster than the temperature. It is also observed that the slopes of potential energy and volume have a strong correlation with stress or strain rate. Finally, the deformation process was further investigated by studying single-atom trajectory.

Keywords: Amorphous Alloys; Atomic Trajectories; Molecular Dynamics; Nanometric Cutting Process; Potential Energy; Volume

Document Type: Research Article

Affiliations: 1: School of Mechanical Engineering, Yanshan University, 066004, China 2: School of Mechanical and Systems Engineering, Newcastle University, Newcastle Upon Tyne, NE7 7QH, UK

Publication date: January 1, 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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