TY - JOUR
T1 - Kinetics of dislocation cross-slip
T2 - A molecular dynamics study
AU - Oren, E.
AU - Yahel, E.
AU - Makov, G.
N1 - Publisher Copyright:
© 2017 Elsevier B.V.
PY - 2017/10/1
Y1 - 2017/10/1
N2 - The kinetics of cross-slip and annihilation of a screw dislocation dipole in face-centered cubic (FCC) copper crystals were studied by multiple molecular-dynamics simulations of long (200b) dislocations at selected stresses and temperatures with the aim to account for the thermally activated nature of the cross-slip process. A novel cross-slip mechanism was identified; this mechanism required the formation of a finite length constriction before cross-slip could be initiated. It was shown that point constrictions are not the transition state of cross-slip. A study of the kinetics confirmed that cross-slip is a first-order process. By fitting the rate constant to an Arrhenius form, the activation energy was found to be 1.05eV±15%. The activation volume for the Escaig stress in the glide plane was in the range of 5–40b3, and the prefactor for the rate constant was evaluated to be 1 THz/b.
AB - The kinetics of cross-slip and annihilation of a screw dislocation dipole in face-centered cubic (FCC) copper crystals were studied by multiple molecular-dynamics simulations of long (200b) dislocations at selected stresses and temperatures with the aim to account for the thermally activated nature of the cross-slip process. A novel cross-slip mechanism was identified; this mechanism required the formation of a finite length constriction before cross-slip could be initiated. It was shown that point constrictions are not the transition state of cross-slip. A study of the kinetics confirmed that cross-slip is a first-order process. By fitting the rate constant to an Arrhenius form, the activation energy was found to be 1.05eV±15%. The activation volume for the Escaig stress in the glide plane was in the range of 5–40b3, and the prefactor for the rate constant was evaluated to be 1 THz/b.
KW - Cross-slip
KW - Dislocations
KW - Kinetics
KW - Molecular dynamics simulations
KW - Thermally activated processes
UR - http://www.scopus.com/inward/record.url?scp=85022093304&partnerID=8YFLogxK
U2 - 10.1016/j.commatsci.2017.06.039
DO - 10.1016/j.commatsci.2017.06.039
M3 - Article
AN - SCOPUS:85022093304
VL - 138
SP - 246
EP - 254
JO - Computational Materials Science
JF - Computational Materials Science
SN - 0927-0256
ER -