液态金属大系统急冷过程中微结构转变机制的模拟研究

A Simulation Study on Transition Mechanism of Microstructures during Forming Processes of Amorphous Metals

摘要:

首次对于由50000个Al原子组成的液态金属系统在由急冷形成非晶态结构的过程中所出现的微观结构组织的变化进行了分子动力学模拟研究。探讨各种有关键型、原子团结构组态的转变机制，得到一幅十分清晰的关于金属原子成团及其演变的图景，同时也对模拟计算结果的微观机理给了相应的讨论。这对于深入理解非晶态结构的形成机制及其微观过程，将有重要的启示作用。

Abstract:

A molecular dynamics simulation is carried out for a 50 000-atom system to study the variation of microstructural configuration of liquid metal Al during a rapid cooling process. The transition mechanism is identified by various bond-types and cluster structures. A very clear picture of how metal atoms form clusters and how they evolve further has been obtained, which will give us an important enlightenment to understand the forming mechanism and microscopic process of an amorphous structure.