物理学报Issue(9)：1-7,7.DOI:10.7498/aps.63.098106
双模晶体相场研究形变诱导的多级微结构演化
Multistage microstructural evolution caused by deformation in two-mo de phase field crystals
摘要
Abstract
The two-mode phase-field-crystal (PFC) method is used to calculate two-dimensional phase diagram and to simulate the process of multistage microstructural evolution in the transformation from hexagonal phase to square phase, which is induced by deformation. And the effect of misorientation and deformation on dislocation, grain boundary, crystal structure and morphology of the new phase is carefully analyzed. Simulation results show that both the nucleation site and growth direction of the square phase are affected by the direction of deformation. Under a tensile deformation, the nucleation of the square phase occurs preferentially in the deformation zone; while under compression deformation, the nucleation of the square phase may begin at dislocations and grain boundary. Moreover, the new phase grows towards the direction along which the degree of atomic mismatch decreases, i.e. the vertical direction of tensile deformation and the parallel direction of compressive deformation. Besides, the free energy varies with misorientation. In small misorientation, the dislocation climbing, slipping and annihilating will result in an energy peak; while in a big misorientation, the dislocation annihilates in several stages and thus offsetting the energy caused by deformation. Furthermore, the process of phase transformation is complex: It is not a pure phase transformation but a composite change of phase transformation and dynamic recrystallization.关键词
双模晶体相场法/六角相/正方相/相变Key words
two-mode phase field crystal method/hexagonal phase/square phase/phase transformation引用本文复制引用
员江娟,陈铮,李尚洁..双模晶体相场研究形变诱导的多级微结构演化[J].物理学报,2014,(9):1-7,7.基金项目
国家自然科学基金(批准号:51274167,51174168)和高等学校博士点专项科研基金(批准号:NDYD0008)资助的课题 （批准号:51274167,51174168）
