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 }/{ ...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 analyzed 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.展开更多
Using molecular dynamics simulation method, the plastic deformation mechanism of Fe nanowires is studied by applying uniaxial tension along the [110] direction. The simulation result shows that the bcc-to-hcp martensi...Using molecular dynamics simulation method, the plastic deformation mechanism of Fe nanowires is studied by applying uniaxial tension along the [110] direction. The simulation result shows that the bcc-to-hcp martensitic phase transformation mechanism controls the plastic deformation of the nanowires at high strain rate or low temperature; however, the plastic deformation mechanism will transform into a dislocation nucleation mechanism at low strain rate and higher temperature. Furthermore, the underlying cause of why the bcc-to-hcp martensitic phase transition mechanism is related to high strain rate and low temperature is also carefully studied. Based on the present study, a strain rate-temperature plastic deformation map for Fe nanowires has been proposed.展开更多
文摘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 analyzed 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.
基金Project supported by the National Natural Science Foundation of China(Grant No.51571082)China Postdoctoral Science Foundation(Grant No.2015M580191)
文摘Using molecular dynamics simulation method, the plastic deformation mechanism of Fe nanowires is studied by applying uniaxial tension along the [110] direction. The simulation result shows that the bcc-to-hcp martensitic phase transformation mechanism controls the plastic deformation of the nanowires at high strain rate or low temperature; however, the plastic deformation mechanism will transform into a dislocation nucleation mechanism at low strain rate and higher temperature. Furthermore, the underlying cause of why the bcc-to-hcp martensitic phase transition mechanism is related to high strain rate and low temperature is also carefully studied. Based on the present study, a strain rate-temperature plastic deformation map for Fe nanowires has been proposed.
