PSI - Issue 23

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Available online at www.sciencedirect.com Structural Integrity Procedia 00 (2019) 000 – 000 Structural Integrity Procedia 00 (2019) 000 – 000

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ScienceDirect

Procedia Structural Integrity 23 (2019) 322–327

© 2019 The Authors. Published by Elsevier B.V. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/) Peer-review under responsibility of the scientific committee of the ICMSMF organizers © 201 9 The Authors. Published by Elsevier B.V. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/) Peer-review under responsibility of the scientific committee of the IC MSMF organizers. Keywords: Molecular dynamics approach; EAM; crack propagation direction angle; classical fracture mechanics; fracture criteria; maximum tangential stress criterion; maximum tangential strain; strain energy density criterion. Abstract The ver rching objective of the paper is to analysis the mixed-mode crack p opagation direction angles by molecular dynamic meth d and to investigate the validity of continuum- ased linear elastic fr cture m chanics crack growth criteria. For this purpose, an embedded tom potential (EAM) available in LAMMPS (Large-scale Atomic/Molecular Ma sively Parallel Simulator) molecular dynamics (MD) s ftware is utiliz d to accurately pinpoint mixed-m de crack growth. The study is focused on he application of the differe t approaches for t e determination of th initial crack prop gation angle. Copper and aluminum plates with the central crack under complex mechanica tresses (Mode I and Mode II loading) ar studi d by extensive MD s mulations. Williams ’ exp nsion for the crack tip fi lds containing the h gher-order t r s is used. The crack propag tion direction angles for combinations of Mode I and Mode II loadings are obtained by 1) the multi-par meter frac ure mechanics app oach based on three fr cture mechanics crite ia: maximu tangential stress (MTS), aximum tangential s in and strain energy density (SED); 2) atomistic modeling for the mixed-mode loading of the plane medi m with the central crack. The temp rature effects during frac ure processes in MD simulations are considered and the temperature field distributions for mixed mode crack propagation are obtained. © 201 9 The Authors. Published by Elsevier B.V. This is an ope acces article under CC BY-NC-ND lic nse (http://creativecommon org/licenses/by-nc-nd/4.0/) Peer-review under responsibility of the scientific committee of the IC MSMF organizers. Keywords: Mole ula dyna ics appro ch; EAM; crack propagation irec ion angle; classical fracture mechanics; fracture criteria; maximum tangential stress criterion; maximum tangential strain; strain energy density criterion. 9th International Conference on Materials Structure and Micromechanics of Fracture A computational study of the mixed-mode crack behavior by molecular dynamics method and the multi-parameter crack field description of classical fracture mechanics Stepanova Larisa a *, Bronnikov Sergey a a Samara National Research Univeristy, Moskovskoe shosse, 34, Samara 443086, Russia Abstract The overarching objective of the paper is to analysis the mixed-mode crack propagation direction angles by molecular dynamics method and to investigate the validity of continuum-based linear elastic fracture mechanics crack growth criteria. For this purpose, an embedded atom potential (EAM) available in LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) molecular dynamics (MD) software is utilized to accurately pinpoint mixed-mode crack growth. The study is focused on the application of the different approaches for the determination of the initial crack propagation angle. Copper and aluminum plates with the central crack under complex mechanical stresses (Mode I and Mode II loading) are studied by extensive MD simulations. Williams ’ expansion for the crack tip fields containing the higher-order terms is used. The crack propagation direction angles for combinations of Mode I and Mode II loadings are obtained by 1) the multi-parameter fracture mechanics approach based on three fracture mechanics criteria: maximum tangential stress (MTS), maximum tangential strain and strain energy density (SED); 2) atomistic modeling for the mixed-mode loading of the plane medium with the central crack. The temperature effects during fracture processes in MD simulations are considered and the temperature field distributions for mixed mode crack propagation are obtained. 9th International Conference on Materials Structure and Micromechanics of Fracture A computational study of the mixed-mode crack behavior by molecular dynamics method and the multi-parameter crack field description of classical fracture mechanics Stepanova Larisa a *, Bronnikov Sergey a a Samara National Research Univeristy, Moskovskoe shosse, 34, Samara 443086, Russia

* Corresponding author. Tel.: +7-927-752-2102. E-mail address: stepanovalv@samsu.ru * Correspon ing au hor. Tel.: +7-927-752-2102. E-mail address: stepanovalv@samsu.ru

2452-3216 © 2019 The Authors. Published by Elsevier B.V. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/) Peer-review under responsibility of the scientific committee of the IC MSMF organizers. 2452-3216 © 2019 The Authors. Published by Elsevier B.V. This is an ope acces article under CC BY-NC-ND lic nse (http://creativecommon org/licenses/by-nc-nd/4.0/)

Peer-review under responsibility of the scientific committee of the IC MSMF organizers.

2452-3216 © 2019 The Authors. Published by Elsevier B.V. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/) Peer-review under responsibility of the scientific committee of the ICMSMF organizers 10.1016/j.prostr.2020.01.107