Molecular Dynamics-Based Cohesive Zone Model for Mg/Mg<sub>17</sub>Al<sub>12</sub> Interface

The fracture of the Mg/Mg<sub>17</sub>Al<sub>12</sub> interface was investigated by molecular dynamics simulations. The interface crack extends in a brittle manner without noticeable plasticity. The distributions of normal stress and separation along the interface were examin...

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Main Authors: Xiao Ru Zhuo, Aibin Ma
Format: Article
Language:English
Published: MDPI AG 2020-06-01
Series:Metals
Subjects:
Online Access:https://www.mdpi.com/2075-4701/10/6/836
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author Xiao Ru Zhuo
Aibin Ma
author_facet Xiao Ru Zhuo
Aibin Ma
author_sort Xiao Ru Zhuo
collection DOAJ
description The fracture of the Mg/Mg<sub>17</sub>Al<sub>12</sub> interface was investigated by molecular dynamics simulations. The interface crack extends in a brittle manner without noticeable plasticity. The distributions of normal stress and separation along the interface were examined to render a quantitative picture of the fracture process. A normal traction–separation curve was extracted from simulation and compared with three cohesive zone models, i.e., cubic polynomial cohesive zone model, exponential cohesive zone model, and bilinear cohesive zone model. The exponential cohesive zone model exhibits the best agreement with simulation results, followed by the bilinear cohesive zone model.
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spelling doaj.art-8eb769be444f4964b45ca58f6f34f2dd2023-11-20T04:50:01ZengMDPI AGMetals2075-47012020-06-0110683610.3390/met10060836Molecular Dynamics-Based Cohesive Zone Model for Mg/Mg<sub>17</sub>Al<sub>12</sub> InterfaceXiao Ru Zhuo0Aibin Ma1College of Mechanics and Materials, Hohai University, Nanjing 210098, ChinaCollege of Mechanics and Materials, Hohai University, Nanjing 210098, ChinaThe fracture of the Mg/Mg<sub>17</sub>Al<sub>12</sub> interface was investigated by molecular dynamics simulations. The interface crack extends in a brittle manner without noticeable plasticity. The distributions of normal stress and separation along the interface were examined to render a quantitative picture of the fracture process. A normal traction–separation curve was extracted from simulation and compared with three cohesive zone models, i.e., cubic polynomial cohesive zone model, exponential cohesive zone model, and bilinear cohesive zone model. The exponential cohesive zone model exhibits the best agreement with simulation results, followed by the bilinear cohesive zone model.https://www.mdpi.com/2075-4701/10/6/836molecular dynamics simulationcohesive zone modelMg/Mg<sub>17</sub>Al<sub>12</sub> interfacefracture
spellingShingle Xiao Ru Zhuo
Aibin Ma
Molecular Dynamics-Based Cohesive Zone Model for Mg/Mg<sub>17</sub>Al<sub>12</sub> Interface
Metals
molecular dynamics simulation
cohesive zone model
Mg/Mg<sub>17</sub>Al<sub>12</sub> interface
fracture
title Molecular Dynamics-Based Cohesive Zone Model for Mg/Mg<sub>17</sub>Al<sub>12</sub> Interface
title_full Molecular Dynamics-Based Cohesive Zone Model for Mg/Mg<sub>17</sub>Al<sub>12</sub> Interface
title_fullStr Molecular Dynamics-Based Cohesive Zone Model for Mg/Mg<sub>17</sub>Al<sub>12</sub> Interface
title_full_unstemmed Molecular Dynamics-Based Cohesive Zone Model for Mg/Mg<sub>17</sub>Al<sub>12</sub> Interface
title_short Molecular Dynamics-Based Cohesive Zone Model for Mg/Mg<sub>17</sub>Al<sub>12</sub> Interface
title_sort molecular dynamics based cohesive zone model for mg mg sub 17 sub al sub 12 sub interface
topic molecular dynamics simulation
cohesive zone model
Mg/Mg<sub>17</sub>Al<sub>12</sub> interface
fracture
url https://www.mdpi.com/2075-4701/10/6/836
work_keys_str_mv AT xiaoruzhuo moleculardynamicsbasedcohesivezonemodelformgmgsub17subalsub12subinterface
AT aibinma moleculardynamicsbasedcohesivezonemodelformgmgsub17subalsub12subinterface