Abstract
Mechanical property of materials is intensively dependent on their atomic structures. In regions with disarranged atomic structures such as grain boundaries, the property can be much different from that in the single crystal. In this study, atomic simulations of a Σ5 tilt grain boundary in aluminum are conducted to elucidate distribution of residual stress and local elastic coefficient near the grain boundary. Local stress and elastic coefficient within the range of 0.7 nm from the grain boundary differ from those in grain. The grain boundary consists of two kinds of atomic layers with different elastic coefficient, and this causes the characteristic local stresses.
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