2005/09/28 by Maciej Bobrowski, Bobrowski, Maciej, Jacek Dziedzic +4
Engineering · Materials Science · Physics and Astronomy · #Disordered Systems and Neural Networks (cond-mat.dis-nn) #FOS: Physical sciences #Force Microscopy Techniques and Applications #Materials Science (cond-mat.mtrl-sci) #Metal and Thin Film Mechanics #Microstructure and mechanical properties #cond-mat.dis-nn #cond-mat.mtrl-sci
paper · pdf · doi:10.48550/arxiv.cond-mat/0509738
arxiv created 2005/09/28 · openalex publication_date 2005/09/28 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
Ultra-precision machining of metals, the breaking of nanowires under tensile stress and fracture of nanoscale materials are examples of technologically important processes which are both extremely difficult and costly to investigate experimentally. We describe a multiscale method for the simulation of such systems in which the energetically active region is modelled using a robust tight-binding scheme developed at the Naval Research Laboratory (NRL-TB) and the rest of the system is treated with molecular dynamics. We present a computer code implementing the method, geared towards non-equilibrium, cross-scaled tight-binding and molecular dynamics simulations. Apart from the presentation of the method and implementation, we discuss preliminary physical results obtained and discuss their validity.