A metastable phase of shocked bulk single crystal copper: an atomistic simulation study

A metastable phase of shocked bulk single crystal copper: an atomistic simulation study

Abstract Structural phase transformation in bulk single crystal Cu in different orientation under shock loading of different intensities has been investigated in this article. Atomistic simulations, such as, classical molecular dynamics using embedded atom method (EAM) interatomic potential and ab-i...

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Main Authors: Anupam Neogi, Nilanjan Mitra
Format: Article
Language:English
Published: Nature Publishing Group 2017-08-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-017-07809-1
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spelling doaj-7b9ee24348af4101adfc3a83c06e6ab32020-12-08T02:26:53ZengNature Publishing GroupScientific Reports2045-23222017-08-017111110.1038/s41598-017-07809-1A metastable phase of shocked bulk single crystal copper: an atomistic simulation studyAnupam Neogi0Nilanjan Mitra1Advanced Technology Development Centre, Indian Institute of Technology KharagpurCenter for Theoretical Studies, Indian Institute of Technology KharagpurAbstract Structural phase transformation in bulk single crystal Cu in different orientation under shock loading of different intensities has been investigated in this article. Atomistic simulations, such as, classical molecular dynamics using embedded atom method (EAM) interatomic potential and ab-initio based molecular dynamics simulations, have been carried out to demonstrate FCC-to-BCT phase transformation under shock loading of 〈100〉 oriented bulk single crystal copper. Simulated x-ray diffraction patterns have been utilized to confirm the structural phase transformation before shock-induced melting in Cu(100).https://doi.org/10.1038/s41598-017-07809-1
collection DOAJ
language English
format Article
sources DOAJ
author Anupam Neogi
Nilanjan Mitra
spellingShingle Anupam Neogi
Nilanjan Mitra
A metastable phase of shocked bulk single crystal copper: an atomistic simulation study
Scientific Reports
author_facet Anupam Neogi
Nilanjan Mitra
author_sort Anupam Neogi
title A metastable phase of shocked bulk single crystal copper: an atomistic simulation study
title_short A metastable phase of shocked bulk single crystal copper: an atomistic simulation study
title_full A metastable phase of shocked bulk single crystal copper: an atomistic simulation study
title_fullStr A metastable phase of shocked bulk single crystal copper: an atomistic simulation study
title_full_unstemmed A metastable phase of shocked bulk single crystal copper: an atomistic simulation study
title_sort metastable phase of shocked bulk single crystal copper: an atomistic simulation study
publisher Nature Publishing Group
series Scientific Reports
issn 2045-2322
publishDate 2017-08-01
description Abstract Structural phase transformation in bulk single crystal Cu in different orientation under shock loading of different intensities has been investigated in this article. Atomistic simulations, such as, classical molecular dynamics using embedded atom method (EAM) interatomic potential and ab-initio based molecular dynamics simulations, have been carried out to demonstrate FCC-to-BCT phase transformation under shock loading of 〈100〉 oriented bulk single crystal copper. Simulated x-ray diffraction patterns have been utilized to confirm the structural phase transformation before shock-induced melting in Cu(100).
url https://doi.org/10.1038/s41598-017-07809-1
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