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A polynomial chaos expansion based molecular dynamics study for probabilistic strength analysis of nano-twinned copper

Avik Mahata, Tanmoy Mukhopadhyay, Sondipon Adhikari

Materials Research Express, Volume: 3, Issue: 3, Start page: 036501

Swansea University Author: Sondipon Adhikari

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DOI (Published version): 10.1088/2053-1591/3/3/036501

Abstract

Nano-twinned structures are mechanically stronger, ductile and stable than its non-twinned form. We have investigated the effect of varying twin spacing and twin boundary width (TBW) on the yield strength of the nano-twinned copper in a probabilistic framework. An efficient surrogate modelling appro...

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Published in: Materials Research Express
ISSN: 2053-1591
Published: 2016
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URI: https://cronfa.swan.ac.uk/Record/cronfa32190
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spelling 2017-03-02T10:14:02.9101435 v2 32190 2017-03-01 A polynomial chaos expansion based molecular dynamics study for probabilistic strength analysis of nano-twinned copper 4ea84d67c4e414f5ccbd7593a40f04d3 Sondipon Adhikari Sondipon Adhikari true false 2017-03-01 FGSEN Nano-twinned structures are mechanically stronger, ductile and stable than its non-twinned form. We have investigated the effect of varying twin spacing and twin boundary width (TBW) on the yield strength of the nano-twinned copper in a probabilistic framework. An efficient surrogate modelling approach based on polynomial chaos expansion has been proposed for the analysis. Effectively utilising 15 sets of expensive molecular dynamics simulations, thousands of outputs have been obtained corresponding to different sets of twin spacing and twin width using virtual experiments based on the surrogates. One of the major outcomes of this work is that there exists an optimal combination of twin boundary spacing and twin width until which the strength can be increased and after that critical point the nanowires weaken. This study also reveals that the yield strength of nano-twinned copper is more sensitive to TBW than twin spacing. Such robust inferences have been possible to be drawn only because of applying the surrogate modelling approach, which makes it feasible to obtain results corresponding to 40 000 combinations of different twin boundary spacing and twin width in a computationally efficient framework. Journal Article Materials Research Express 3 3 036501 2053-1591 7 3 2016 2016-03-07 10.1088/2053-1591/3/3/036501 http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&amp;SrcAuth=ORCID&amp;SrcApp=OrcidOrg&amp;DestLinkType=FullRecord&amp;DestApp=WOS_CPL&amp;KeyUT=WOS:000377811100040&amp;KeyUID=WOS:000377811100040 COLLEGE NANME Science and Engineering - Faculty COLLEGE CODE FGSEN Swansea University 2017-03-02T10:14:02.9101435 2017-03-01T11:12:52.8184153 Faculty of Science and Engineering School of Engineering and Applied Sciences - Uncategorised Avik Mahata 1 Tanmoy Mukhopadhyay 2 Sondipon Adhikari 3
title A polynomial chaos expansion based molecular dynamics study for probabilistic strength analysis of nano-twinned copper
spellingShingle A polynomial chaos expansion based molecular dynamics study for probabilistic strength analysis of nano-twinned copper
Sondipon Adhikari
title_short A polynomial chaos expansion based molecular dynamics study for probabilistic strength analysis of nano-twinned copper
title_full A polynomial chaos expansion based molecular dynamics study for probabilistic strength analysis of nano-twinned copper
title_fullStr A polynomial chaos expansion based molecular dynamics study for probabilistic strength analysis of nano-twinned copper
title_full_unstemmed A polynomial chaos expansion based molecular dynamics study for probabilistic strength analysis of nano-twinned copper
title_sort A polynomial chaos expansion based molecular dynamics study for probabilistic strength analysis of nano-twinned copper
author_id_str_mv 4ea84d67c4e414f5ccbd7593a40f04d3
author_id_fullname_str_mv 4ea84d67c4e414f5ccbd7593a40f04d3_***_Sondipon Adhikari
author Sondipon Adhikari
author2 Avik Mahata
Tanmoy Mukhopadhyay
Sondipon Adhikari
format Journal article
container_title Materials Research Express
container_volume 3
container_issue 3
container_start_page 036501
publishDate 2016
institution Swansea University
issn 2053-1591
doi_str_mv 10.1088/2053-1591/3/3/036501
college_str Faculty of Science and Engineering
hierarchytype
hierarchy_top_id facultyofscienceandengineering
hierarchy_top_title Faculty of Science and Engineering
hierarchy_parent_id facultyofscienceandengineering
hierarchy_parent_title Faculty of Science and Engineering
department_str School of Engineering and Applied Sciences - Uncategorised{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Engineering and Applied Sciences - Uncategorised
url http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&amp;SrcAuth=ORCID&amp;SrcApp=OrcidOrg&amp;DestLinkType=FullRecord&amp;DestApp=WOS_CPL&amp;KeyUT=WOS:000377811100040&amp;KeyUID=WOS:000377811100040
document_store_str 0
active_str 0
description Nano-twinned structures are mechanically stronger, ductile and stable than its non-twinned form. We have investigated the effect of varying twin spacing and twin boundary width (TBW) on the yield strength of the nano-twinned copper in a probabilistic framework. An efficient surrogate modelling approach based on polynomial chaos expansion has been proposed for the analysis. Effectively utilising 15 sets of expensive molecular dynamics simulations, thousands of outputs have been obtained corresponding to different sets of twin spacing and twin width using virtual experiments based on the surrogates. One of the major outcomes of this work is that there exists an optimal combination of twin boundary spacing and twin width until which the strength can be increased and after that critical point the nanowires weaken. This study also reveals that the yield strength of nano-twinned copper is more sensitive to TBW than twin spacing. Such robust inferences have been possible to be drawn only because of applying the surrogate modelling approach, which makes it feasible to obtain results corresponding to 40 000 combinations of different twin boundary spacing and twin width in a computationally efficient framework.
published_date 2016-03-07T03:39:24Z
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score 11.016258

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