CAJ | 학술논문

基于连续介质位错理论提出一种新的位错原子分布构造方式,理论上可以构造出任意形状和任意Burgers矢量的位错结构.利用该方法,选用FCC单晶铜为模拟介质,构造Burgers矢量为6=[(-1) 1 0]/2的刃型全位错和Burgers矢量为6=[(-1) (-1) 2]/6圆环形不完全位错环,并使用分子动力学方法模拟全位错的扩展分解过程和不全位错环在自应力作用下的收缩过程,模拟结果与理论分析一致.该方法的优点在于可以方便地构造出其他传统方法难以构造的位错闭合结构--位错环,从而使位错环的细致研究成为可能.
기우련속개질위착이론제출일충신적위착원자분포구조방식,이론상가이구조출임의형상화임의Burgers시량적위착결구.이용해방법,선용FCC단정동위모의개질,구조Burgers시량위6=[(-1) 1 0]/2적인형전위착화Burgers시량위6=[(-1) (-1) 2]/6원배형불완전위착배,병사용분자동역학방법모의전위착적확전분해과정화불전위착배재자응력작용하적수축과정,모의결과여이론분석일치.해방법적우점재우가이방편지구조출기타전통방법난이구조적위착폐합결구--위착배,종이사위착배적세치연구성위가능.
A method constructing atom distribution of dislocation configurations based on dislocation theory of continuous medium is presented. Theoretically, this method can be used to construct dislocations with any shape and any Burgers vector. For verification purpose, we construct a linear edge perfect dislocation with Burgers vector b = [ (-1) 1 0 ]/2 and a partial dislocation ring with b = [ (-1) (-1) 2]/6 in FCC copper. Decomposition process of a edge perfect dislocation and contraction of a partial dislocation ring driven by self-force is simulated. Simulation results agree well with theoretical analysis. The method shows significant superiority in constructing glissile dislocation loops which are generally difficult in other schemes.