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Multiscale multiphysics atomistic-meso-continuum critical dislocation method for hydrogen embrittlement

Sathiskumar Jothi Orcid Logo

14th International Symposium on Metal-Hydrogen Systems (MH2014), 20-25 July 2014, Salford, Manchester, UK.

Swansea University Author: Sathiskumar Jothi Orcid Logo

Abstract

Hydrogen embrittlement of polycrystalline metallic material such as nickel and nickel alloys in aerospace rocket launcher combustion chamber calls for efforts to develop multiscale atomic method (AM) -meso critical dislocation (MCD)-macro continuum (MC) method to understand the role of hydrogen play...

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Published in: 14th International Symposium on Metal-Hydrogen Systems (MH2014), 20-25 July 2014, Salford, Manchester, UK.
Published: Manchester,UK 2014
Online Access: http://mh2014.salford.ac.uk/cms/resources/uploads/files/MH2014%20Conference%20Brochure%20(web).pdf
URI: https://cronfa.swan.ac.uk/Record/cronfa30924
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fullrecord <?xml version="1.0"?><rfc1807><datestamp>2018-02-05T13:02:43.5316090</datestamp><bib-version>v2</bib-version><id>30924</id><entry>2016-11-03</entry><title>Multiscale multiphysics atomistic-meso-continuum critical dislocation method for hydrogen embrittlement</title><swanseaauthors><author><sid>6cd28300413d3e63178f0bf7e2130569</sid><ORCID>0000-0001-7328-1112</ORCID><firstname>Sathiskumar</firstname><surname>Jothi</surname><name>Sathiskumar Jothi</name><active>true</active><ethesisStudent>false</ethesisStudent></author></swanseaauthors><date>2016-11-03</date><deptcode>EEN</deptcode><abstract>Hydrogen embrittlement of polycrystalline metallic material such as nickel and nickel alloys in aerospace rocket launcher combustion chamber calls for efforts to develop multiscale atomic method (AM) -meso critical dislocation (MCD)-macro continuum (MC) method to understand the role of hydrogen plays in multiphysics problem. The authors propose a coupled atomistic-mesoscale-continuum critical dislocation (CAMCD) model based on the input obtained from critical dislocation site meso scale microstructural model and atomistic simulations. Initially the individual microstructural phase properties of materials are determined from atomistic simulations by the precise relationship between mechanical stresses, strains and the diffusion of hydrogen. Then the effective properties of materials are calculated using finite element microstructural homogenization simulations with the help of heterogeneous intergranular and intragranular polycrystalline microstructural Representative Volume Element (RVE) model[1], followed by the implementation of subroutine developed using FORTRAN compiled programming language for trap model coupled with the continuum component model using Python script language. The microstructures RVE models are developed based on the real microstructural morphology and crystallographic microtexture data collected from experimental characterization of textured polycrystalline material. The critical dislocation sites of meso scale model are coupled with macro scale model using cut boundary by employing submodelling technique. The space coupled model initially solves the mechanical problem which is coupled sequentially with the chemical problem, in the form of mass transport analysis employing stress assisted hydrogen diffusion, using the finite element method. Fick&#x2018;s diffusion law is extended in finite element code by including the pressure gradient factor and trap parameters to drive the mass diffusion by means of hydrostatic stresses and trap model . The motivation of this testing investigation is to evaluate the CAMCD model and the benefits of experimental, submodel, homogenization technique to bridge the gap between atomistic, microstructural and continuum space scale for the hydrogen embrittlement problem.</abstract><type>Conference Paper/Proceeding/Abstract</type><journal>14th International Symposium on Metal-Hydrogen Systems (MH2014), 20-25 July 2014, Salford, Manchester, UK.</journal><publisher/><placeOfPublication>Manchester,UK</placeOfPublication><keywords>Hydrogen embrittlement; CAMCD model; atomistic simulation; FE microstructural model; nickel and nickel based super alloys; aerospace components;</keywords><publishedDay>31</publishedDay><publishedMonth>7</publishedMonth><publishedYear>2014</publishedYear><publishedDate>2014-07-31</publishedDate><doi/><url>http://mh2014.salford.ac.uk/cms/resources/uploads/files/MH2014%20Conference%20Brochure%20(web).pdf</url><notes/><college>COLLEGE NANME</college><department>Engineering</department><CollegeCode>COLLEGE CODE</CollegeCode><DepartmentCode>EEN</DepartmentCode><institution>Swansea University</institution><apcterm/><lastEdited>2018-02-05T13:02:43.5316090</lastEdited><Created>2016-11-03T21:30:09.3037991</Created><path><level id="1">Faculty of Science and Engineering</level><level id="2">School of Engineering and Applied Sciences - Uncategorised</level></path><authors><author><firstname>Sathiskumar</firstname><surname>Jothi</surname><orcid>0000-0001-7328-1112</orcid><order>1</order></author></authors><documents/><OutputDurs/></rfc1807>
spelling 2018-02-05T13:02:43.5316090 v2 30924 2016-11-03 Multiscale multiphysics atomistic-meso-continuum critical dislocation method for hydrogen embrittlement 6cd28300413d3e63178f0bf7e2130569 0000-0001-7328-1112 Sathiskumar Jothi Sathiskumar Jothi true false 2016-11-03 EEN Hydrogen embrittlement of polycrystalline metallic material such as nickel and nickel alloys in aerospace rocket launcher combustion chamber calls for efforts to develop multiscale atomic method (AM) -meso critical dislocation (MCD)-macro continuum (MC) method to understand the role of hydrogen plays in multiphysics problem. The authors propose a coupled atomistic-mesoscale-continuum critical dislocation (CAMCD) model based on the input obtained from critical dislocation site meso scale microstructural model and atomistic simulations. Initially the individual microstructural phase properties of materials are determined from atomistic simulations by the precise relationship between mechanical stresses, strains and the diffusion of hydrogen. Then the effective properties of materials are calculated using finite element microstructural homogenization simulations with the help of heterogeneous intergranular and intragranular polycrystalline microstructural Representative Volume Element (RVE) model[1], followed by the implementation of subroutine developed using FORTRAN compiled programming language for trap model coupled with the continuum component model using Python script language. The microstructures RVE models are developed based on the real microstructural morphology and crystallographic microtexture data collected from experimental characterization of textured polycrystalline material. The critical dislocation sites of meso scale model are coupled with macro scale model using cut boundary by employing submodelling technique. The space coupled model initially solves the mechanical problem which is coupled sequentially with the chemical problem, in the form of mass transport analysis employing stress assisted hydrogen diffusion, using the finite element method. Fick‘s diffusion law is extended in finite element code by including the pressure gradient factor and trap parameters to drive the mass diffusion by means of hydrostatic stresses and trap model . The motivation of this testing investigation is to evaluate the CAMCD model and the benefits of experimental, submodel, homogenization technique to bridge the gap between atomistic, microstructural and continuum space scale for the hydrogen embrittlement problem. Conference Paper/Proceeding/Abstract 14th International Symposium on Metal-Hydrogen Systems (MH2014), 20-25 July 2014, Salford, Manchester, UK. Manchester,UK Hydrogen embrittlement; CAMCD model; atomistic simulation; FE microstructural model; nickel and nickel based super alloys; aerospace components; 31 7 2014 2014-07-31 http://mh2014.salford.ac.uk/cms/resources/uploads/files/MH2014%20Conference%20Brochure%20(web).pdf COLLEGE NANME Engineering COLLEGE CODE EEN Swansea University 2018-02-05T13:02:43.5316090 2016-11-03T21:30:09.3037991 Faculty of Science and Engineering School of Engineering and Applied Sciences - Uncategorised Sathiskumar Jothi 0000-0001-7328-1112 1
title Multiscale multiphysics atomistic-meso-continuum critical dislocation method for hydrogen embrittlement
spellingShingle Multiscale multiphysics atomistic-meso-continuum critical dislocation method for hydrogen embrittlement
Sathiskumar Jothi
title_short Multiscale multiphysics atomistic-meso-continuum critical dislocation method for hydrogen embrittlement
title_full Multiscale multiphysics atomistic-meso-continuum critical dislocation method for hydrogen embrittlement
title_fullStr Multiscale multiphysics atomistic-meso-continuum critical dislocation method for hydrogen embrittlement
title_full_unstemmed Multiscale multiphysics atomistic-meso-continuum critical dislocation method for hydrogen embrittlement
title_sort Multiscale multiphysics atomistic-meso-continuum critical dislocation method for hydrogen embrittlement
author_id_str_mv 6cd28300413d3e63178f0bf7e2130569
author_id_fullname_str_mv 6cd28300413d3e63178f0bf7e2130569_***_Sathiskumar Jothi
author Sathiskumar Jothi
author2 Sathiskumar Jothi
format Conference Paper/Proceeding/Abstract
container_title 14th International Symposium on Metal-Hydrogen Systems (MH2014), 20-25 July 2014, Salford, Manchester, UK.
publishDate 2014
institution Swansea University
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://mh2014.salford.ac.uk/cms/resources/uploads/files/MH2014%20Conference%20Brochure%20(web).pdf
document_store_str 0
active_str 0
description Hydrogen embrittlement of polycrystalline metallic material such as nickel and nickel alloys in aerospace rocket launcher combustion chamber calls for efforts to develop multiscale atomic method (AM) -meso critical dislocation (MCD)-macro continuum (MC) method to understand the role of hydrogen plays in multiphysics problem. The authors propose a coupled atomistic-mesoscale-continuum critical dislocation (CAMCD) model based on the input obtained from critical dislocation site meso scale microstructural model and atomistic simulations. Initially the individual microstructural phase properties of materials are determined from atomistic simulations by the precise relationship between mechanical stresses, strains and the diffusion of hydrogen. Then the effective properties of materials are calculated using finite element microstructural homogenization simulations with the help of heterogeneous intergranular and intragranular polycrystalline microstructural Representative Volume Element (RVE) model[1], followed by the implementation of subroutine developed using FORTRAN compiled programming language for trap model coupled with the continuum component model using Python script language. The microstructures RVE models are developed based on the real microstructural morphology and crystallographic microtexture data collected from experimental characterization of textured polycrystalline material. The critical dislocation sites of meso scale model are coupled with macro scale model using cut boundary by employing submodelling technique. The space coupled model initially solves the mechanical problem which is coupled sequentially with the chemical problem, in the form of mass transport analysis employing stress assisted hydrogen diffusion, using the finite element method. Fick‘s diffusion law is extended in finite element code by including the pressure gradient factor and trap parameters to drive the mass diffusion by means of hydrostatic stresses and trap model . The motivation of this testing investigation is to evaluate the CAMCD model and the benefits of experimental, submodel, homogenization technique to bridge the gap between atomistic, microstructural and continuum space scale for the hydrogen embrittlement problem.
published_date 2014-07-31T03:37:42Z
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score 11.012924

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