Atomistic simulations of Paidar-Pope-Vitek lock formation in Ni$_3$Al TeX

@article{NganWen, abstract = {The thermally activated process of Paidar-Pope-Vitek (PPV) lock formation in the L12 intermetallic Ni3Al is simulated using the ” nudged elastic band” method with an embedded atom potential. It is found that the one-step PPV lock is intrinsically unstable, but it can be stabilized by a large enough Escaig stress. The two-step PPV lock can be formed with a low activation energy when the one-step lock is involved as an intermediate step. In this case, the overall activation energy is about 1 eV, in reasonable agreement with the range of 0.5-0.9 eV expected from experimental observation of the flow stress anomaly in Ni3Al. High Escaig stresses are required to stabilize the one-step lock, and the absence of such high stresses in the micro-strain regime is thought to be the underlying reason for the absence of the flow stress anomaly in micro-strain conditions.}, author = {Ngan, A. H. W. and Wen, M. and Woo, C. H.}, citeulike-article-id = {572388}, doi = {10.1016/j.commatsci.2003.10.003}, journal = {Computational Materials Science}, keywords = {simulation}, month = {March}, number = {3}, pages = {259--269}, posted-at = {2006-04-01 17:04:47}, priority = {0}, title = {Atomistic simulations of Paidar-Pope-Vitek lock formation in Ni\$\_3\$Al}, url = {http://dx.doi.org/10.1016/j.commatsci.2003.10.003}, volume = {29}, year = {2004} }

TY - JOUR ID - NganWen L3 - citeulike-article-id:572388 N2 - The thermally activated process of Paidar-Pope-Vitek (PPV) lock formation in the L12 intermetallic Ni3Al is simulated using the “nudged elastic band” method with an embedded atom potential. It is found that the one-step PPV lock is intrinsically unstable, but it can be stabilized by a large enough Escaig stress. The two-step PPV lock can be formed with a low activation energy when the one-step lock is involved as an intermediate step. In this case, the overall activation energy is about 1 eV, in reasonable agreement with the range of 0.5-0.9 eV expected from experimental observation of the flow stress anomaly in Ni3Al. High Escaig stresses are required to stabilize the one-step lock, and the absence of such high stresses in the micro-strain regime is thought to be the underlying reason for the absence of the flow stress anomaly in micro-strain conditions. IS - 3 JF - Computational Materials Science EP - 269 TI - Atomistic simulations of Paidar-Pope-Vitek lock formation in Ni$_3$Al VL - 29 SP - 259 KW - simulation AU - Ngan, AHW AU - Wen, M AU - Woo, CH PY - 2004/03// UR - http://dx.doi.org/10.1016/j.commatsci.2003.10.003 ER -