{"id":"https://openalex.org/W2022031361","doi":"https://doi.org/10.1103/physreve.67.011505","title":"Improved simulation method for the calculation of the elastic constants of crystalline and amorphous systems using strain fluctuations","display_name":"Improved simulation method for the calculation of the elastic constants of crystalline and amorphous systems using strain fluctuations","publication_year":2003,"publication_date":"2003-01-22","ids":{"openalex":"https://openalex.org/W2022031361","doi":"https://doi.org/10.1103/physreve.67.011505","mag":"2022031361","pmid":"https://pubmed.ncbi.nlm.nih.gov/12636504"},"language":"en","primary_location":{"id":"doi:10.1103/physreve.67.011505","doi":"https://doi.org/10.1103/physreve.67.011505","is_oa":false,"landing_page_url":"https://doi.org/10.1103/physreve.67.011505","pdf_url":null,"source":{"id":"https://openalex.org/S4210224030","display_name":"Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics","issn_l":"1063-651X","issn":["1063-651X","1095-3787","1538-4519"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core"],"host_organization":"https://openalex.org/P4310320261","host_organization_name":"American Physical Society","host_organization_lineage":["https://openalex.org/P4310320261"],"host_organization_lineage_names":["American Physical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Physical Review E","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5023304618","display_name":"Kevin Van Workum","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I135310074","display_name":"University of Wisconsin\u2013Madison","ror":"https://ror.org/01y2jtd41","country_code":"US","type":"education","lineage":["https://openalex.org/I135310074"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Kevin Van Workum","raw_affiliation_strings":["Department of Chemical Engineering, University of Wisconsin-Madison, Madison, Wisconsin 53706, USA","Department of Chemical Engineering, University of Wisconsin\u2212Madison, Madison, Wisconsin 53706"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemical Engineering, University of Wisconsin-Madison, Madison, Wisconsin 53706, USA","institution_ids":["https://openalex.org/I135310074"]},{"raw_affiliation_string":"Department of Chemical Engineering, University of Wisconsin\u2212Madison, Madison, Wisconsin 53706","institution_ids":["https://openalex.org/I135310074"]}]},{"author_position":"last","author":{"id":null,"display_name":"Juan J. de Pablo","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I135310074","display_name":"University of Wisconsin\u2013Madison","ror":"https://ror.org/01y2jtd41","country_code":"US","type":"education","lineage":["https://openalex.org/I135310074"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Juan J. de Pablo","raw_affiliation_strings":["Department of Chemical Engineering, University of Wisconsin\u2013Madison, Madison, Wisconsin 53706"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemical Engineering, University of Wisconsin\u2013Madison, Madison, Wisconsin 53706","institution_ids":["https://openalex.org/I135310074"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I135310074"],"apc_list":null,"apc_paid":null,"fwci":1.1627,"has_fulltext":false,"cited_by_count":33,"citation_normalized_percentile":{"value":0.72279229,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":98},"biblio":{"volume":"67","issue":"1","first_page":"011505","last_page":"011505"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12044","display_name":"Advanced Physical and Chemical Molecular Interactions","score":0.6714000105857849,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T12044","display_name":"Advanced Physical and Chemical Molecular Interactions","score":0.6714000105857849,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10474","display_name":"Material Dynamics and Properties","score":0.10029999911785126,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10591","display_name":"Theoretical and Computational Physics","score":0.06759999692440033,"subfield":{"id":"https://openalex.org/subfields/3104","display_name":"Condensed Matter Physics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/elastic-constants","display_name":"elastic constants","score":0.9990000128746033},{"id":"https://openalex.org/keywords/strain-fluctuations","display_name":"strain fluctuations","score":0.9940000176429749},{"id":"https://openalex.org/keywords/amorphous-polymers","display_name":"amorphous polymers","score":0.9070000052452087},{"id":"https://openalex.org/keywords/soft-materials","display_name":"soft materials","score":0.5370000004768372},{"id":"https://openalex.org/keywords/convergence-acceleration","display_name":"convergence acceleration","score":0.5759999752044678},{"id":"https://openalex.org/keywords/crystalline-systems","display_name":"crystalline systems","score":0.527999997138977}],"concepts":[{"id":"https://openalex.org/C56052488","wikidata":"https://www.wikidata.org/wiki/Q103382","display_name":"Amorphous solid","level":2,"score":0.7367090582847595},{"id":"https://openalex.org/C2777303404","wikidata":"https://www.wikidata.org/wiki/Q759757","display_name":"Convergence (economics)","level":2,"score":0.6449679136276245},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.6279503107070923},{"id":"https://openalex.org/C133347239","wikidata":"https://www.wikidata.org/wiki/Q486921","display_name":"Isothermal process","level":2,"score":0.553296685218811},{"id":"https://openalex.org/C2777027219","wikidata":"https://www.wikidata.org/wiki/Q1284190","display_name":"Constant (computer programming)","level":2,"score":0.5018932819366455},{"id":"https://openalex.org/C2778022156","wikidata":"https://www.wikidata.org/wiki/Q576145","display_name":"Strain (injury)","level":2,"score":0.48574692010879517},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.4388566017150879},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.43124476075172424},{"id":"https://openalex.org/C74650414","wikidata":"https://www.wikidata.org/wiki/Q11397","display_name":"Classical mechanics","level":1,"score":0.3362044095993042},{"id":"https://openalex.org/C26873012","wikidata":"https://www.wikidata.org/wiki/Q214781","display_name":"Condensed matter physics","level":1,"score":0.334450364112854},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.287685364484787},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.15650153160095215},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.09961184859275818},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.09090554714202881},{"id":"https://openalex.org/C162324750","wikidata":"https://www.wikidata.org/wiki/Q8134","display_name":"Economics","level":0,"score":0.0},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0},{"id":"https://openalex.org/C126322002","wikidata":"https://www.wikidata.org/wiki/Q11180","display_name":"Internal medicine","level":1,"score":0.0},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0},{"id":"https://openalex.org/C50522688","wikidata":"https://www.wikidata.org/wiki/Q189833","display_name":"Economic growth","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1103/physreve.67.011505","doi":"https://doi.org/10.1103/physreve.67.011505","is_oa":false,"landing_page_url":"https://doi.org/10.1103/physreve.67.011505","pdf_url":null,"source":{"id":"https://openalex.org/S4210224030","display_name":"Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics","issn_l":"1063-651X","issn":["1063-651X","1095-3787","1538-4519"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core"],"host_organization":"https://openalex.org/P4310320261","host_organization_name":"American Physical Society","host_organization_lineage":["https://openalex.org/P4310320261"],"host_organization_lineage_names":["American Physical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Physical Review E","raw_type":"journal-article"},{"id":"pmid:12636504","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/12636504","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Physical review. E, Statistical, nonlinear, and soft matter physics","raw_type":"Journal Article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"},{"id":"https://openalex.org/F4320306087","display_name":"Semiconductor Research Corporation","ror":"https://ror.org/047z4n946"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":12,"referenced_works":["https://openalex.org/W1978712371","https://openalex.org/W1989792754","https://openalex.org/W1993177346","https://openalex.org/W2015993320","https://openalex.org/W2019313753","https://openalex.org/W2023295616","https://openalex.org/W2026105178","https://openalex.org/W2045352868","https://openalex.org/W2081693079","https://openalex.org/W2082966600","https://openalex.org/W2120840993","https://openalex.org/W2146462263"],"related_works":["https://openalex.org/W1965862594","https://openalex.org/W2067222009","https://openalex.org/W1533066253","https://openalex.org/W1999332276","https://openalex.org/W1997367168","https://openalex.org/W2023295616","https://openalex.org/W2019313753","https://openalex.org/W2037822278","https://openalex.org/W2804150328","https://openalex.org/W2059661864"],"abstract_inverted_index":{"In":[0],"this":[1],"paper,":[2],"a":[3,63],"method":[4],"is":[5],"proposed":[6],"for":[7,24,37,62],"calculating":[8],"the":[9,38,43,48],"elastic":[10,35,45],"constants":[11,36,46,61],"of":[12,34,42,47],"arbitrarily":[13],"soft":[14],"or":[15],"stiff":[16,22],"systems":[17],"using":[18],"strain":[19,26],"fluctuations.":[20],"For":[21],"materials,":[23],"example,":[25],"fluctuations":[27],"may":[28],"be":[29],"enhanced":[30],"by":[31],"appropriate":[32],"choice":[33],"bath.":[39],"Example":[40],"calculations":[41],"isothermal":[44],"nearest-neighbor":[49],"Lennard-Jones":[50],"fcc":[51],"crystal":[52],"demonstrate":[53],"improved":[54],"convergence":[55],"properties":[56],"over":[57],"standard":[58],"techniques.":[59],"Elastic":[60],"model":[64],"amorphous":[65],"polymer":[66],"system":[67],"are":[68],"also":[69],"presented.":[70]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2021,"cited_by_count":2},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":1},{"year":2018,"cited_by_count":1},{"year":2017,"cited_by_count":3},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":4},{"year":2014,"cited_by_count":1},{"year":2013,"cited_by_count":3},{"year":2012,"cited_by_count":1}],"updated_date":"2026-10-30T12:39:25.321706","created_date":"2016-06-24T00:00:00"}