Structure and Migration Mechanisms of Small Vacancy Clusters in Cu: A Combined EAM and DFT Study

Structure and Migration Mechanisms of Small Vacancy Clusters in Cu: A Combined EAM and DFT Study

Voids in face-centered cubic (fcc) metals are commonly assumed to form via the aggregation of vacancies; however, the mechanisms of vacancy clustering and diffusion are not fully understood. In this study, we use computational modeling to provide a detailed insight into the structures and formation...

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Bibliographic Details
Main Authors: Vasileios Fotopoulos, David Mora-Fonz, Manuel Kleinbichler, Rishi Bodlos, Ernst Kozeschnik, Lorenz Romaner, Alexander L. Shluger
Format: Article
Language:English
Published: MDPI AG 2023-04-01
Series:Nanomaterials
Subjects:
vacancies
diffusion
metals
density functional theory
embedded atom method
Online Access:https://www.mdpi.com/2079-4991/13/9/1464

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https://www.mdpi.com/2079-4991/13/9/1464

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