Computer simulation of vacancies in Al
Liu Wei-jie
Abstract
Liu Wei-jie
Abstract
In this paper,the vacancies in Al is simulated with the embedded atom method is calculated the vacancy formation energy.It is found that the vacancy atom energy is smaller in grain boundary than in grain.Vacancy suites in grain boundary.The smaller atom cohensive energy is,the smaller vacancy atom formation energy is.
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In this paper,the vacancies in Al is simulated with the embedded atom method is calculated the vacancy formation energy.It is found that the vacancy atom energy is smaller in grain boundary than in grain.Vacancy suites in grain boundary.The smaller atom cohensive energy is,the smaller vacancy atom formation energy is.
Key concepts: Vacancy defect, Atom (system on chip), Grain boundary, Materials science, Energy (signal processing), Atomic physics, Condensed matter physics, Crystallography