Atomistic Study of Irradiation-Induced Plastic and Lattice Strain in Tungsten
We demonstrate a practical way to perform decomposition of the elasto-plastic deformation directly from atomistic simulation snapshots. Through molecular dynamics simulations on a large single crystal, we elucidate the intricate process of converting plastic strain, atomic strain, and rigid rotation...
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Published in | arXiv.org |
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Cornell University Library, arXiv.org
19.10.2023
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Abstract | We demonstrate a practical way to perform decomposition of the elasto-plastic deformation directly from atomistic simulation snapshots. Through molecular dynamics simulations on a large single crystal, we elucidate the intricate process of converting plastic strain, atomic strain, and rigid rotation during irradiation. Our study highlights how prismatic dislocation loops act as initiators of plastic strain effects in heavily irradiated metals, resulting in experimentally measurable alterations in lattice strain. We show the onset of plastic strain starts to emerge at high dose, leading to the spontaneous emergence of dislocation creep and irradiation-induced lattice swelling. This phenomenon arises from the agglomeration of dislocation loops into a dislocation network. Furthermore, our numerical framework enables us to categorize the plastic transformation into two distinct types: pure slip events and slip events accompanied by lattice swelling. The latter type is particularly responsible for the observed divergence in interstitial and vacancy counts, and also impacts the behavior of dislocations, potentially activating non-conventional slip systems. |
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AbstractList | We demonstrate a practical way to perform decomposition of the elasto-plastic deformation directly from atomistic simulation snapshots. Through molecular dynamics simulations on a large single crystal, we elucidate the intricate process of converting plastic strain, atomic strain, and rigid rotation during irradiation. Our study highlights how prismatic dislocation loops act as initiators of plastic strain effects in heavily irradiated metals, resulting in experimentally measurable alterations in lattice strain. We show the onset of plastic strain starts to emerge at high dose, leading to the spontaneous emergence of dislocation creep and irradiation-induced lattice swelling. This phenomenon arises from the agglomeration of dislocation loops into a dislocation network. Furthermore, our numerical framework enables us to categorize the plastic transformation into two distinct types: pure slip events and slip events accompanied by lattice swelling. The latter type is particularly responsible for the observed divergence in interstitial and vacancy counts, and also impacts the behavior of dislocations, potentially activating non-conventional slip systems. |
Author | Wu, Jintong Mason, Daniel R Granberg, Fredric |
Author_xml | – sequence: 1 givenname: Jintong surname: Wu fullname: Wu, Jintong – sequence: 2 givenname: Daniel surname: Mason middlename: R fullname: Mason, Daniel R – sequence: 3 givenname: Fredric surname: Granberg fullname: Granberg, Fredric |
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Copyright | 2023. This work is published under http://creativecommons.org/licenses/by/4.0/ (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License. |
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Snippet | We demonstrate a practical way to perform decomposition of the elasto-plastic deformation directly from atomistic simulation snapshots. Through molecular... |
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SubjectTerms | Dislocation loops Elastoplasticity Irradiation Lattice strain Molecular dynamics Plastic deformation Single crystals Slip Swelling |
Title | Atomistic Study of Irradiation-Induced Plastic and Lattice Strain in Tungsten |
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