Molecular dynamics study on the formation of stacking fault tetrahedra and unfaulting of Frank loops in FCC metals

分子動力学法によるFCC金属中の積層欠陥正四面体の形成及びフランクループの完全転位化

門吉 朋子; 蕪木 英雄; 清水 大志 ; 君塚 肇*; 實川 資朗; Li, J.*

Kadoyoshi, Tomoko; Kaburaki, Hideo; Shimizu, Futoshi; Kimizuka, Hajime*; Jitsukawa, Shiro; Li, J.*

分子動力学法により、FCC金属中の積層欠陥正四面体が、不等辺六角形転位ループから形成されることを確かめた。また、格子間原子型のフランクループ及び原子空孔型のフランクループが、外部せん断応力や温度によって完全転位ループに遷移する過程を詳細に解析し、完全転位化に温度が重要な役割を果たしていることを明らかにした。

Critical conditions have been determined for intrinsic transformation of a vacancy Frank loop into a stacking fault tetrahedron in a face centered cubic metal by the molecular dynamics method. We found that a stacking fault tetrahedron can be formed from the scalene hexagonal vacancy Frank loops of wide range of sizes due to the dissociation of dislocations. We have also found atomistically the dynamical process in which vacancy and interstitial faulted Frank loops transform into perfect loops by the application of the external shear stress or by raising the temperature. We have determined numerically the critical shear stress and temperature for the initiation of unfaulting. The simulation results clearly unveiled the important role of temperature in the unfaulting mechanism of an interstitial Frank loop.