A Method for Simulating Co-evolution of Irradiation Defects and Grain Boundaries

Abstract

The present invention disclosed a method of simulated radiation defects and the collaborative evolution of the crystal world, including the following steps: obtaining the relationship between the energy and the translation vector of the crystal world, the translation vector set between the translation vector corresponding to the base state and the transition of energy.The impact of inspection point defects on the process of crystal transition, the impact of the vacant cluster near the crystal world on the crystal transition process, the impact of radical defects on VTK, and the establishment of the rate table containing the crystal movement, radical defects and crystal deficit and crystalOKMC simulation of the collaborative evolution.The invention can handle the impact of radical defects on the crystal movement and the influence of radical dynamics of the splicter defect, the role of a low -level cluster or empty -hole in the crystal boundary and the crystal boundary near the crystal worldThe crystal boundaries of the crystal boundary and the evolution of radiation defects may occur during the evolution of micro -structural evolution of the microstructure of the micro -structures and their impact on the evolution of micro -structures; especially for simulation of complex defects. The process of radiation damage of nano -structural radiation damage under the interaction of the crystal boundary.

Description

technical field [0001] The invention relates to the field of radiation damage simulation of nuclear materials, in particular to a method for simulating the co-evolution of radiation defects and grain boundaries. Background technique [0002] When materials are irradiated with high-energy particles, point defects and their clusters with different diffusion activities will be generated, such as self-interstitial atoms, vacancies and clusters of these defects. Grain boundaries often serve as defect traps, absorbing irradiation defects, and affecting the evolution of the microstructure of irradiation defects and the final service performance of materials. It is of scientific and engineering significance to study the interaction between irradiation defects and grain boundaries. [0003] When studying the cross-scale interaction mechanism of irradiation defects and interfaces, people usually regard the grain boundary as a stable irradiation defect evolution environment, and pay a...

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Problems solved by technology

However, with the evolution of irradiation defects, such as diffusion and segregation, not only may change the grain boundary structure, but also change its thermodynamic and kinetic properties, induce grain boundary slip or migration, and in turn, be modified by irradiation defects. The grain boundaries of the grain boundaries may also interact with the low-activity defect clusters near the grain boundaries in a different way, that is, the radiation defects and the grain boundaries may undergo co-evolution

Since the grain boundary itself has many degrees of freedom and its potential energy surface is relatively complex, there is no good simulation technology to directly investigate this defect-grain boundary co-evolution process involving grain boundary movement or phase transition.

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