张瀛， 曲绍兴^*

（  浙江大学航空航天学院；  ）

摘要： 多尺度建模与模拟是研究金属及合金特别是纳米结构晶体材料力学性能的重要手段。最近发展的"有限温度下动态原子/离散位错耦合材料模拟方法"，可进行跨原子、细观、宏观尺度的含缺陷晶体材料力学性能研究。应用该方法进行了微米尺寸含裂纹的f.c.c.铝单晶材料在I型断裂过程中的变形情况，获得了导致裂纹尖端发射位错的临界应力强度因子与温度及裂纹前端厚度之间的关系。
关键词： 固体力学；多尺度耦合；离散位错；分子动力学；有限元

Zhang Ying， Qu Shaoxing^*

（  School of Aeronautics and Astronautics, Zhejiang University；  ）

Abstract： Multiscale modeling and simulation belongs to one important method to study the mechanical properties of metals and alloys, especially nanostructured crystals. The newly developed finite-temperature dynamic coupled atomistic/discrete dislocation method can be used to study the mechanical properties of crystalline materials with defects across micro, meso and macro scales. The above method is applied to investigate the deformation process of micro-sized single crystalline fcc. aluminum with a through-thickness crack subjected to remote tensile loading. The relationship between the depth-dependent critical stress intensity factor for dislocation nucleation from the crack tip and the temperature is obtained for single crystalline fcc aluminum.

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