材料的团簇动力学模型:优势与局限
Cluster Dynamics Modeling of Materials: Advantages and Limitations
摘要:
本文对材料中原子和点缺陷团簇的团簇动力学模型进行了简要的评述。结果表明,这种方法,由于其较低的计算机成本,可以处理长期的演变,不能,在许多情况下,通过晶格动力学蒙特卡罗方法。事实上,这种可能性是由于一个重要的缺点,即微观结构的元素的空间相关性的损失。列举了金属材料的沉淀和辐照领域中的一些实例。本文还讨论了这种方法的局限性和困难。毫不奇怪,它表明,它在一个非常令人满意的方式时,对象分布均匀。相反,描述辐照下的主要损伤的源项,在空间和时间上的性质异质性,是棘手的引入,特别是当位移级联产生。
英文摘要:
The aim of this paper is to give a short review on cluster dynamics modeling in the field of atoms and point defects clustering in materials. It is shown that this method, due to its low computer cost, can handle long term evolution that cannot, in many cases, be obtained by Lattice Kinetic Monte Carlo methods. Indeed, such a possibility is achieved thanks to an important drawback that is the loss of space correlations of the elements of the microstructures. Some examples, in the field of precipitation and irradiation of metallic materials are given. The limitations and difficulties of this method are also discussed. Unsurprisingly, it is shown that it goes in a very satisfactory way when the objects are distributed homogeneously. Conversely, the source term describing the primary damage under irradiation, by nature heterogeneous in space and time, is tricky to introduce especially when displacement cascades are produced.
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