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Phase transformation path in Aluminum under ramp compression; simulation and experimental study
We present a framework based on non-equilibrium molecular dynamics (NEMD) to reproduce the phase transformation event of Aluminum under ramp compression loading. The simulated stress-density response, virtual x-ray diffraction patterns, and structure analysis are compared against the previously obse...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9643319/ https://www.ncbi.nlm.nih.gov/pubmed/36347919 http://dx.doi.org/10.1038/s41598-022-23785-7 |
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author | He, Lijie Polsin, Danae Zhang, Shuai Collins, Gilbert W. Abdolrahim, Niaz |
author_facet | He, Lijie Polsin, Danae Zhang, Shuai Collins, Gilbert W. Abdolrahim, Niaz |
author_sort | He, Lijie |
collection | PubMed |
description | We present a framework based on non-equilibrium molecular dynamics (NEMD) to reproduce the phase transformation event of Aluminum under ramp compression loading. The simulated stress-density response, virtual x-ray diffraction patterns, and structure analysis are compared against the previously observed experimental laser-driven ramp compression in-situ x-ray diffraction data. The NEMD simulations show the solid–solid phase transitions are consistent to experimental observations with a close-packed face-centered cubic (fcc) (111), hexagonal close-packed (hcp) structure (002), and body-centered cubic bcc (110) planes remaining parallel. The atomic-level analysis of NEMD simulations identifiy the exact phase transformation pathway happening via Bain transformation while the previous in situ x-ray diffraction data did not provide sufficient information for deducing the exact phase transformation path. |
format | Online Article Text |
id | pubmed-9643319 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | Nature Publishing Group UK |
record_format | MEDLINE/PubMed |
spelling | pubmed-96433192022-11-15 Phase transformation path in Aluminum under ramp compression; simulation and experimental study He, Lijie Polsin, Danae Zhang, Shuai Collins, Gilbert W. Abdolrahim, Niaz Sci Rep Article We present a framework based on non-equilibrium molecular dynamics (NEMD) to reproduce the phase transformation event of Aluminum under ramp compression loading. The simulated stress-density response, virtual x-ray diffraction patterns, and structure analysis are compared against the previously observed experimental laser-driven ramp compression in-situ x-ray diffraction data. The NEMD simulations show the solid–solid phase transitions are consistent to experimental observations with a close-packed face-centered cubic (fcc) (111), hexagonal close-packed (hcp) structure (002), and body-centered cubic bcc (110) planes remaining parallel. The atomic-level analysis of NEMD simulations identifiy the exact phase transformation pathway happening via Bain transformation while the previous in situ x-ray diffraction data did not provide sufficient information for deducing the exact phase transformation path. Nature Publishing Group UK 2022-11-08 /pmc/articles/PMC9643319/ /pubmed/36347919 http://dx.doi.org/10.1038/s41598-022-23785-7 Text en © The Author(s) 2022 https://creativecommons.org/licenses/by/4.0/Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) . |
spellingShingle | Article He, Lijie Polsin, Danae Zhang, Shuai Collins, Gilbert W. Abdolrahim, Niaz Phase transformation path in Aluminum under ramp compression; simulation and experimental study |
title | Phase transformation path in Aluminum under ramp compression; simulation and experimental study |
title_full | Phase transformation path in Aluminum under ramp compression; simulation and experimental study |
title_fullStr | Phase transformation path in Aluminum under ramp compression; simulation and experimental study |
title_full_unstemmed | Phase transformation path in Aluminum under ramp compression; simulation and experimental study |
title_short | Phase transformation path in Aluminum under ramp compression; simulation and experimental study |
title_sort | phase transformation path in aluminum under ramp compression; simulation and experimental study |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9643319/ https://www.ncbi.nlm.nih.gov/pubmed/36347919 http://dx.doi.org/10.1038/s41598-022-23785-7 |
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