TY - GEN
T1 - Molecular dynamics simulations for a nickel metal with an edge dislocation and some impurities
AU - Sakai, Takayuki
AU - Murakami, Hideyuki
AU - Harada, Hiroshi
PY - 2002
Y1 - 2002
N2 - Examination of dislocation behavior in the level of atomic scale is one of effective approaches for understanding inelastic deformation behavior of engineering materials. In this study, a molecular dynamics code incorporated with a modified EAM (MEAM) potential proposed by Baskes was developed to investigate the dislocation behavior in nickel alloys. As verification of the code, molecular dynamics simulations for a nickel metal containing with an edge dislocation and an impurity element were carried out. Consequently, it was shown that the dislocation behavior had some temperature dependences in terms of dislocation velocity and Peiers stress. Then, it was demonstrated that the edge dislocation was made transferred under the influence of some kinds of element that seemed to be effective for solid-solution strengthening of nickel alloys. Therefore, it was proved that the MEAM potential was effective for at least qualitative evaluation of dislocation behavior.
AB - Examination of dislocation behavior in the level of atomic scale is one of effective approaches for understanding inelastic deformation behavior of engineering materials. In this study, a molecular dynamics code incorporated with a modified EAM (MEAM) potential proposed by Baskes was developed to investigate the dislocation behavior in nickel alloys. As verification of the code, molecular dynamics simulations for a nickel metal containing with an edge dislocation and an impurity element were carried out. Consequently, it was shown that the dislocation behavior had some temperature dependences in terms of dislocation velocity and Peiers stress. Then, it was demonstrated that the edge dislocation was made transferred under the influence of some kinds of element that seemed to be effective for solid-solution strengthening of nickel alloys. Therefore, it was proved that the MEAM potential was effective for at least qualitative evaluation of dislocation behavior.
UR - http://www.scopus.com/inward/record.url?scp=0141432127&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0141432127&partnerID=8YFLogxK
M3 - Conference contribution
AN - SCOPUS:0141432127
SN - 7506255715
T3 - Proceedings of Asian Simulation Conference; System Simulation and Scientific Computing (Shanghai)
SP - 239
EP - 243
BT - Proceedings of Asian Simulation Conference; System Simulation and Scientific Computing (Shanghai)
A2 - Zongij, C.
A2 - Minrui, F.
A2 - Guosen, H.
A2 - Xiaoyuan, P.
A2 - Guangleng, X.
A2 - Zongji, C.
A2 - Minrui, F.
A2 - Guosen, H.
A2 - Xiaoyuan, P.
A2 - Guangleng, X.
T2 - Proceedings of Asian Simulation Conference/the 5th International Conference on: System Simulation and Scientific Computing (Shanghai)
Y2 - 3 November 2002 through 6 November 2002
ER -