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Báo cáo hóa học: " Study of Materials Deformation in Nanometric Cutting by Large-scale Molecular Dynamics Simulations"

Tuyển tập báo cáo các nghiên cứu khoa học quốc tế ngành hóa học dành cho các bạn yêu hóa học tham khảo đề tài: Study of Materials Deformation in Nanometric Cutting by Large-scale Molecular Dynamics Simulations | Nanoscale Res Lett 2009 4 444-451 DOI 10.1007 s11671-009-9268-z NANO EXPRESS Study of Materials Deformation in Nanometric Cutting by Large-scale Molecular Dynamics Simulations Q. X. Pei C. Lu H. P. Lee Y. W. Zhang Received 22 December 2008 Accepted 27 January 2009 Published online 18 February 2009 to the authors 2009 Abstract Nanometric cutting involves materials removal and deformation evolution in the surface at nanometer scale. At this length scale atomistic simulation is a very useful tool to study the cutting process. In this study large-scale molecular dynamics MD simulations with the model size up to 10 millions atoms have been performed to study three-dimensional nanometric cutting of copper. The EAM potential and Morse potential are used respectively to compute the interaction between workpiece atoms and the interactions between workpiece atoms and tool atoms. The material behavior surface and subsurface deformation dislocation movement and cutting forces during the cutting processes are studied. We show that the MD simulation model of nanometric cutting has to be large enough to eliminate the boundary effect. Moreover the cutting speed and the cutting depth have to be considered in determining a suitable model size for the MD simulations. We have observed that the nanometric cutting process is accompanied with complex material deformation dislocation formation and movement. We find that as the cutting depth decreases the tangential cutting force decreases faster than the normal cutting force. The simulation results reveal that as the cutting depth decreases the specific cutting force increases i.e. size effect exists in nanometric cutting. Keywords Molecular dynamics Nanometric cutting Materials deformation Large-scale simulation Q. X. Pei H C. Lu H. P. Lee Y. W. Zhang Institute of High Performance Computing 1 Fusionopolis Way Singapore 138632 Singapore e-mail peiqx@ihpc.a-star.edu.sg Introduction Nanometric cutting is a tool-based materials removal .