Dislocation motion in BCC metals by molecular dynamics Export

@article{citeulike:6019906, abstract = {We performed molecular dynamics (MD) simulation of edge dislocations in BCC metal Mo with 1/2 1 1 1 Burgers vector gliding on (1 1 0) plane using the Finnis–Sinclair N-body empirical potential and periodic boundary conditions (PBC). The profile of dislocation line, extracted from atomic displacements during MD simulation, suggests a dominant mechanism of double-kink nucleation, without appreciable kink migration. This observation is consistent with further simulations in which dislocations with pre-existing kinks are observed to move at the same velocity as the initially straight dislocations. Our results show a linear stress dependence of the dislocation velocity and a decrease of mobility with increasing temperature, both features interpreted as signifying that the simulations pertain to the viscous phonon drag regime of dislocation mobility.}, author = {Chang, J. and Cai, W. and Bulatov, V. and Yip, S.}, citeulike-article-id = {6019906}, citeulike-linkout-0 = {http://dx.doi.org/10.1016/S0921-5093(00)01673-7}, citeulike-linkout-1 = {http://linkinghub.elsevier.com/retrieve/pii/S0921509300016737}, day = {15}, doi = {10.1016/S0921-5093(00)01673-7}, issn = {09215093}, journal = {Materials Science and Engineering A}, keywords = {modelling}, month = {July}, pages = {160--163}, posted-at = {2009-10-28 14:18:16}, priority = {0}, title = {Dislocation motion in BCC metals by molecular dynamics}, url = {http://dx.doi.org/10.1016/S0921-5093(00)01673-7}, volume = {309-310}, year = {2001} }

TY - JOUR ID - citeulike:6019906 L3 - citeulike-article-id:6019906 N2 - We performed molecular dynamics (MD) simulation of edge dislocations in BCC metal Mo with 1/2 1 1 1 Burgers vector gliding on (1 1 0) plane using the Finnis–Sinclair N-body empirical potential and periodic boundary conditions (PBC). The profile of dislocation line, extracted from atomic displacements during MD simulation, suggests a dominant mechanism of double-kink nucleation, without appreciable kink migration. This observation is consistent with further simulations in which dislocations with pre-existing kinks are observed to move at the same velocity as the initially straight dislocations. Our results show a linear stress dependence of the dislocation velocity and a decrease of mobility with increasing temperature, both features interpreted as signifying that the simulations pertain to the viscous phonon drag regime of dislocation mobility. JF - Materials Science and Engineering A SN - 09215093 EP - 163 TI - Dislocation motion in BCC metals by molecular dynamics VL - 309-310 SP - 160 KW - modelling AU - Chang, J AU - Cai, W AU - Bulatov, V AU - Yip, S PY - 2001/07/15/ UR - http://dx.doi.org/10.1016/S0921-5093(00)01673-7 ER -