TY - JOUR
T1 - Atomistic simulations of Bauschinger effects of metals with high angle and low angle grain boundaries
AU - Fang, H.
AU - Horstemeyer, M. F.
AU - Baskes, M. I.
AU - Solanki, K.
N1 - Funding Information:
The work by Fang, Horstemeyer, and Solanki was sponsored by the Mississippi State University Center for Advanced Vehicular Systems, and the work by Baskes has been sponsored by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences. We would like to thank Dr. B. Zhang, Department of Mechanical Engineering, Mississippi State University, for his valuable comments and discussions on the work presented in this paper.
PY - 2004/5/7
Y1 - 2004/5/7
N2 - In this paper, we examined Bauschinger effects in nickel single crystals and nickel containing arrays of high angle or low angle grain boundaries under shear deformation using molecular dynamics with embedded atom method (EAM) potentials. In order to take into account dislocation nucleation under different boundary conditions and their effects on the stress-strain relationship, two limiting constraints were used to both high angle and low angle grain boundaries: fixed end on all sides and free ends on all sides. Stress-strain curves were then compared under these two boundary conditions for three cases: single crystal, high angle grain boundary arrays, and low angle grain boundary arrays. In each of the three cases, loading was reversed at different strain levels after yield and Bauschinger effects were examined on all the scenarios. The simulation results were also compared with macroscopic mechanics ideas for both high angle and low angle grain boundaries. The Bauschinger effect was found to be the largest for the case of high angle boundaries and the lowest for the single crystal.
AB - In this paper, we examined Bauschinger effects in nickel single crystals and nickel containing arrays of high angle or low angle grain boundaries under shear deformation using molecular dynamics with embedded atom method (EAM) potentials. In order to take into account dislocation nucleation under different boundary conditions and their effects on the stress-strain relationship, two limiting constraints were used to both high angle and low angle grain boundaries: fixed end on all sides and free ends on all sides. Stress-strain curves were then compared under these two boundary conditions for three cases: single crystal, high angle grain boundary arrays, and low angle grain boundary arrays. In each of the three cases, loading was reversed at different strain levels after yield and Bauschinger effects were examined on all the scenarios. The simulation results were also compared with macroscopic mechanics ideas for both high angle and low angle grain boundaries. The Bauschinger effect was found to be the largest for the case of high angle boundaries and the lowest for the single crystal.
KW - Atomistic simulations
KW - Bauschinger
KW - Embedded atom method
KW - Nanoscale
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U2 - 10.1016/j.cma.2003.12.052
DO - 10.1016/j.cma.2003.12.052
M3 - Article
AN - SCOPUS:1842686540
SN - 0045-7825
VL - 193
SP - 1789
EP - 1802
JO - Computer Methods in Applied Mechanics and Engineering
JF - Computer Methods in Applied Mechanics and Engineering
IS - 17-20
ER -