界面对复合材料静态及弯曲力学性能影响的分子动力学模拟
MOLECULAR DYNAMICS SIMULATION OF THE EFFECTS OF INTERFACE ON THE BENDING PROPERTIES OF COMPOSITE
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摘要: 选用A g, N i 两块理想金属, 用分子动力学模拟方法研究了以下两种情况下的弯曲过程,进而分析界面对复合材料力学性能的影响: (1) 二者在相距足够远以至于两类原子间无相互作用,不形成界面; (2) 二者迭放一起取向形成界面。通过模拟这两种情况下的静态弛豫和动态弯曲过程, 比较了它们的异同之处。结果表明, 界面的存在对复合材料的力学性能影响很大, 有时甚至起控制作用。Abstract: In this paper, two real crystals of Ag and Ni were selected. The following two conditions were studied by the Molecular Dynamics (MD) simulation method: the first one is that the two bulk metals are too far to form interface; the second one is that they form interface. By simulating the static relaxation and dynamics bending process, the differences between the two conditions were compared. The results show that the existence of interface affects greatly, sometimes even controls the mechanical properties of the composite.