TY - JOUR
T1 - Atomistic simulation of the interaction between mobile edge dislocations and radiation-induced defects in Fe-Ni-Cr austenitic alloys
AU - Bakaev, Alexander
AU - Terentyev, Dmitry
AU - Grigorev, Petr
AU - Zhurkin, Evgeni E.
N1 - Score=10
PY - 2014
Y1 - 2014
N2 - The classical molecular dynamics method is employed to simulate the interaction of edge dislocations with interstitial Frank loops (2 and 5 nm in diameter) in the Fe-Ni10-Cr20 model alloy at the temperatures T = 300-900 K. The examined Frank loops are typical extended radiation-induced defects in austenitic steels adapted to nuclear reactors, while the chosen triple alloy (Fe-Ni10-Cr20) has the alloying element concentration maximally resembling these steels. The dislocation-defect interaction mechanisms are ascertained and classified, and their comparison with the previously published data concerning screw dislocations is carried out. The detachment stress needed for a dislocation to overcome the defect acting as an obstacle is calculated depending on the material temperature, defect size, and interaction geometry. It is revealed that edge dislocations more efficiently absorb small loops than screw ones. It is demonstrated that, in the case of small loops, the number of reactions accompanied by loop absorption increases with temperature upon interaction with both edge and screw dislocations. It is established that Frank loops are stronger obstacles to the movement of screw dislocations than to the movement of edge ones.
AB - The classical molecular dynamics method is employed to simulate the interaction of edge dislocations with interstitial Frank loops (2 and 5 nm in diameter) in the Fe-Ni10-Cr20 model alloy at the temperatures T = 300-900 K. The examined Frank loops are typical extended radiation-induced defects in austenitic steels adapted to nuclear reactors, while the chosen triple alloy (Fe-Ni10-Cr20) has the alloying element concentration maximally resembling these steels. The dislocation-defect interaction mechanisms are ascertained and classified, and their comparison with the previously published data concerning screw dislocations is carried out. The detachment stress needed for a dislocation to overcome the defect acting as an obstacle is calculated depending on the material temperature, defect size, and interaction geometry. It is revealed that edge dislocations more efficiently absorb small loops than screw ones. It is demonstrated that, in the case of small loops, the number of reactions accompanied by loop absorption increases with temperature upon interaction with both edge and screw dislocations. It is established that Frank loops are stronger obstacles to the movement of screw dislocations than to the movement of edge ones.
KW - Atomistic simulations
KW - Classical molecular dynamics
KW - Edge and screw dislocations
KW - Element concentrations
KW - Interaction geometries
KW - Interaction mechanisms
KW - Material temperature
KW - Radiation induced defects
UR - http://ecm.sckcen.be/OTCS/llisapi.dll?func=ll&objaction=overview&objid=28559444
U2 - 10.1134/S1027451014020062
DO - 10.1134/S1027451014020062
M3 - Article
SN - 1027-4510
VL - 8
SP - 220
EP - 228
JO - Journal of Surface Investigation. X-ray, Synchrotron and Neutron Techniques
JF - Journal of Surface Investigation. X-ray, Synchrotron and Neutron Techniques
IS - 2
ER -