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Metals and Materials International
Published in: Metals and Materials International 4/2021

31-03-2020

Cohesive Zone Modeling of Crack Propagation in FCC Single Crystals via Atomistic Simulations

Authors: Gi Hun Lee, Jang Hyun Kim, Hyeon Gyu Beom

Published in: Metals and Materials International | Issue 4/2021

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Abstract

This paper presents a cohesive zone model of fracture in Cu and Ni single crystals under tension, based on an atomistic analysis. The molecular-statics approach based on the conjugate-gradient method was used to investigate the crack-growth behavior at the atomic level. The fracture toughness was evaluated on the basis of energy considerations, and the cohesive traction was calculated using the J integral and the atomic-scale separation in the cohesive zone. The cohesive traction and separation curves obtained using computational data from atomistic simulations were compared with the exponential form of continuum mechanics. The results showed that the exponential form satisfactorily represented the cohesive zone properties of Cu. However, the cohesive traction and separation curves for Ni were found to deviate from the exponential form in the softening stage, owing to small-scale nonlinear features near the cohesive zone.

Graphic Abstract

previous article Current Review on the Research Status of Cemented Carbide Brazing: Filler Materials and Mechanical Properties
next article Effect of Microstructural Features on the High-Cycle Fatigue Behavior of CoCrFeMnNi High-Entropy Alloys Deformed at Room and Cryogenic Temperatures

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Metadata
Title
Cohesive Zone Modeling of Crack Propagation in FCC Single Crystals via Atomistic Simulations
Authors
Gi Hun Lee
Jang Hyun Kim
Hyeon Gyu Beom
Publication date
31-03-2020
Publisher
The Korean Institute of Metals and Materials
Published in
Metals and Materials International / Issue 4/2021
Print ISSN: 1598-9623
Electronic ISSN: 2005-4149
DOI
https://doi.org/10.1007/s12540-020-00693-x

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