Effect of grain boundary sliding on the toughness of ultrafine grain structure steel: A molecular dynamics simulation study |
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Authors: | Xie Hong-Xian a Liu Bo a Yin Fu-Xing b and Yu Tao |
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Affiliation: | c) a) School of Mechanical Engineering, Hebei University of Technology, Tianjin 300132, China b) Materials Research Institute for Energy Equipments, China First Heavy Industries, Qiqihar 161042, China c) Central Iron and Steel Research Institute, Beijing 100081, China |
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Abstract: | Molecular dynamics simulations are carried out to investigate the mechanisms of low-temperature impact toughness of the ultrafine grain structure steel. The simulation results suggest that the sliding of the {001}/{110} type and {110}/{111} type grain boundary can improve the impact toughness. Then, the mechanism of grain boundary sliding is studied and it is found that the motion of dislocations along the grain boundary is the underlying cause of the grain boundary sliding. Finally, the sliding of the grain boundary is analysed from the standpoint of the energy. We conclude that the measures which can increase the quantity of the {001}/{110} type and {110}/{111} type grain boundary and elongate the free gliding distance of dislocations along these grain boundaries will improve the low-temperature impact toughness of the ultrafine grain structure steel. |
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Keywords: | molecular dynamics simulations grain boundary crack ultrafine grain structure steel |
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