简介: |
ABSTRACT：
We have developed a finite-temperature dynamic coupled atomistic/discrete dislocation method。 A thermostatting approach is applied to the motion of the atoms in a stadium region near the atom/continuum interface, while standard molecular dynamics algorithm is used in the interior region. FEM is adopted in the continuum region updated over time scales comparable to the Debye frequency. This approach, as well as Nose-Hoover thermostat, can achieve canonical-ensemble averages. The new multiscale modeling method has been used to study the behavior of ductile fracture in FCC aluminum with finite thickness along the crack front direction at finite temperature. Mode I fracture ({111}-type crack plane and <110>-type crack front) in FCC aluminum is studied using this new method with an EAM potential. It is shown that dislocations along the slip planes of the {112} type are available, which agrees with the observation from atomistic simulations. The hydrogen embrittlement effect on BCC iron is also investigated.
Brief Biography： Dr. Qu is currently a postdoc at Brown University. He got his BS in theoretical and applied mechanics from University of Science & Technology of China, his MS in Engineering Mechanics from Tsinghua University, Beijing and PhD in Mechanical Engineering from University of Illinois. |
