{"id":"https://openalex.org/W2040705135","doi":"https://doi.org/10.1137/120864696","title":"A Molecular Dynamics-Continuum Coupled Model for Heat Transfer in Composite Materials","display_name":"A Molecular Dynamics-Continuum Coupled Model for Heat Transfer in Composite Materials","publication_year":2012,"publication_date":"2012-01-01","ids":{"openalex":"https://openalex.org/W2040705135","doi":"https://doi.org/10.1137/120864696","mag":"2040705135"},"language":"en","primary_location":{"id":"doi:10.1137/120864696","is_oa":false,"landing_page_url":"https://doi.org/10.1137/120864696","pdf_url":null,"source":{"id":"https://openalex.org/S4357572","display_name":"Multiscale Modeling and Simulation","issn_l":"1540-3459","issn":["1540-3459","1540-3467"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320508","host_organization_name":"Society for Industrial and Applied Mathematics","host_organization_lineage":["https://openalex.org/P4310320508"],"host_organization_lineage_names":["Society for Industrial and Applied Mathematics"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Multiscale Modeling & Simulation","raw_type":"journal-article"},"type":"article","indexed_in":["crossref"],"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/A5101808584","display_name":"Jizu Huang","orcid":"https://orcid.org/0000-0002-0778-3154"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210090176","display_name":"Institute of Computing Technology","ror":"https://ror.org/0090r4d87","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210090176"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jizu Huang","raw_affiliation_strings":["Institute of Computational Mathematics and Scientific/Engineering Computing of Chinese Academy of Sciences"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Computational Mathematics and Scientific/Engineering Computing of Chinese Academy of Sciences","institution_ids":["https://openalex.org/I19820366","https://openalex.org/I4210090176"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5041682711","display_name":"Liqun Cao","orcid":"https://orcid.org/0000-0003-2943-7057"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Liqun Cao","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"last","author":{"id":"https://openalex.org/A5057414674","display_name":"Sam Yang","orcid":"https://orcid.org/0000-0002-8565-6214"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Sam Yang","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.6472,"has_fulltext":false,"cited_by_count":3,"citation_normalized_percentile":{"value":0.70386542,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"10","issue":"4","first_page":"1292","last_page":"1316"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12100","display_name":"Advanced Mathematical Modeling in Engineering","score":1.0,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T12100","display_name":"Advanced Mathematical Modeling in Engineering","score":1.0,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11558","display_name":"Composite Material Mechanics","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/2211","display_name":"Mechanics of Materials"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10514","display_name":"Numerical methods in engineering","score":0.9970999956130981,"subfield":{"id":"https://openalex.org/subfields/2211","display_name":"Mechanics of Materials"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/homogenization","display_name":"Homogenization (climate)","score":0.8436331152915955},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.7139853835105896},{"id":"https://openalex.org/keywords/heat-transfer","display_name":"Heat transfer","score":0.6951847076416016},{"id":"https://openalex.org/keywords/composite-number","display_name":"Composite number","score":0.6816193461418152},{"id":"https://openalex.org/keywords/materials-science","display_name":"Materials science","score":0.6487732529640198},{"id":"https://openalex.org/keywords/non-equilibrium-thermodynamics","display_name":"Non-equilibrium thermodynamics","score":0.5704935193061829},{"id":"https://openalex.org/keywords/nanoscopic-scale","display_name":"Nanoscopic scale","score":0.5440501570701599},{"id":"https://openalex.org/keywords/thermal","display_name":"Thermal","score":0.5382821559906006},{"id":"https://openalex.org/keywords/thermal-conductivity","display_name":"Thermal conductivity","score":0.46191975474357605},{"id":"https://openalex.org/keywords/heat-equation","display_name":"Heat equation","score":0.42362964153289795},{"id":"https://openalex.org/keywords/mechanics","display_name":"Mechanics","score":0.41245365142822266},{"id":"https://openalex.org/keywords/statistical-physics","display_name":"Statistical physics","score":0.3774142861366272},{"id":"https://openalex.org/keywords/thermodynamics","display_name":"Thermodynamics","score":0.3238372802734375},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.261685311794281},{"id":"https://openalex.org/keywords/composite-material","display_name":"Composite material","score":0.24451464414596558},{"id":"https://openalex.org/keywords/nanotechnology","display_name":"Nanotechnology","score":0.20574888586997986}],"concepts":[{"id":"https://openalex.org/C2778722038","wikidata":"https://www.wikidata.org/wiki/Q17030643","display_name":"Homogenization (climate)","level":3,"score":0.8436331152915955},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.7139853835105896},{"id":"https://openalex.org/C50517652","wikidata":"https://www.wikidata.org/wiki/Q179635","display_name":"Heat transfer","level":2,"score":0.6951847076416016},{"id":"https://openalex.org/C104779481","wikidata":"https://www.wikidata.org/wiki/Q50707","display_name":"Composite number","level":2,"score":0.6816193461418152},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.6487732529640198},{"id":"https://openalex.org/C74859849","wikidata":"https://www.wikidata.org/wiki/Q2466686","display_name":"Non-equilibrium thermodynamics","level":2,"score":0.5704935193061829},{"id":"https://openalex.org/C45206210","wikidata":"https://www.wikidata.org/wiki/Q2415817","display_name":"Nanoscopic scale","level":2,"score":0.5440501570701599},{"id":"https://openalex.org/C204530211","wikidata":"https://www.wikidata.org/wiki/Q752823","display_name":"Thermal","level":2,"score":0.5382821559906006},{"id":"https://openalex.org/C97346530","wikidata":"https://www.wikidata.org/wiki/Q487005","display_name":"Thermal conductivity","level":2,"score":0.46191975474357605},{"id":"https://openalex.org/C202787564","wikidata":"https://www.wikidata.org/wiki/Q6510488","display_name":"Heat equation","level":2,"score":0.42362964153289795},{"id":"https://openalex.org/C57879066","wikidata":"https://www.wikidata.org/wiki/Q41217","display_name":"Mechanics","level":1,"score":0.41245365142822266},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.3774142861366272},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.3238372802734375},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.261685311794281},{"id":"https://openalex.org/C159985019","wikidata":"https://www.wikidata.org/wiki/Q181790","display_name":"Composite material","level":1,"score":0.24451464414596558},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.20574888586997986},{"id":"https://openalex.org/C130217890","wikidata":"https://www.wikidata.org/wiki/Q47041","display_name":"Biodiversity","level":2,"score":0.0},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0},{"id":"https://openalex.org/C18903297","wikidata":"https://www.wikidata.org/wiki/Q7150","display_name":"Ecology","level":1,"score":0.0},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1137/120864696","is_oa":false,"landing_page_url":"https://doi.org/10.1137/120864696","pdf_url":null,"source":{"id":"https://openalex.org/S4357572","display_name":"Multiscale Modeling and Simulation","issn_l":"1540-3459","issn":["1540-3459","1540-3467"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320508","host_organization_name":"Society for Industrial and Applied Mathematics","host_organization_lineage":["https://openalex.org/P4310320508"],"host_organization_lineage_names":["Society for Industrial and Applied Mathematics"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Multiscale Modeling & Simulation","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":38,"referenced_works":["https://openalex.org/W427661","https://openalex.org/W28106125","https://openalex.org/W580982675","https://openalex.org/W650857255","https://openalex.org/W1597209545","https://openalex.org/W1969448375","https://openalex.org/W1972160746","https://openalex.org/W1981210409","https://openalex.org/W1983597856","https://openalex.org/W1998491314","https://openalex.org/W2006335602","https://openalex.org/W2009350101","https://openalex.org/W2012703902","https://openalex.org/W2013979082","https://openalex.org/W2017334242","https://openalex.org/W2021669684","https://openalex.org/W2024213521","https://openalex.org/W2024809291","https://openalex.org/W2029484033","https://openalex.org/W2035146850","https://openalex.org/W2035266068","https://openalex.org/W2035720425","https://openalex.org/W2041450226","https://openalex.org/W2042290043","https://openalex.org/W2052541836","https://openalex.org/W2064378757","https://openalex.org/W2067243612","https://openalex.org/W2073575966","https://openalex.org/W2074245421","https://openalex.org/W2075811679","https://openalex.org/W2075912172","https://openalex.org/W2078045751","https://openalex.org/W2083651087","https://openalex.org/W2093777785","https://openalex.org/W2093879786","https://openalex.org/W2102948336","https://openalex.org/W2143726965","https://openalex.org/W2357540826"],"related_works":["https://openalex.org/W2104620528","https://openalex.org/W140119233","https://openalex.org/W2757910772","https://openalex.org/W4249473811","https://openalex.org/W2394422079","https://openalex.org/W2025913943","https://openalex.org/W2524071042","https://openalex.org/W2949634767","https://openalex.org/W2064035559","https://openalex.org/W4298700539"],"abstract_inverted_index":{"The":[0,29,59,74],"heat":[1,21,94],"transfer":[2,95],"problem":[3],"in":[4,77,113,124,171],"composite":[5,71,82,111,131,175],"materials":[6,83,132],"containing":[7],"nanoscale":[8,135],"interfaces":[9],"is":[10,17,43,62,84,103,141],"investigated.":[11],"A":[12,36,98],"molecular":[13,39,99,157],"dynamics-continuum":[14,100],"coupled":[15,101,150],"model":[16,30,102],"developed":[18,104],"to":[19,26,45,64,105],"study":[20],"transport":[22],"from":[23],"the":[24,27,52,56,66,78,87,92,107,115,120,134,144,148,155,161,164],"macro-":[25],"microscales.":[28],"includes":[31],"four":[32],"major":[33],"steps:":[34],"(1)":[35],"reverse":[37],"nonequilibrium":[38],"dynamics":[40,158],"(RNEMD)":[41],"method":[42,61,90,166],"used":[44],"calculate":[46],"some":[47],"physical":[48],"parameters":[49],"such":[50],"as":[51],"thermal":[53,68,172],"conductivities":[54,69],"on":[55],"interface.":[57,121],"(2)":[58],"homogenization":[60],"applied":[63],"compute":[65],"homogenized":[67],"of":[70,81,110,130,147,154,163,174],"materials.":[72,176],"(3)":[73],"temperature":[75,108,117],"field":[76,109,118],"global":[79],"structure":[80],"computed":[85],"with":[86],"multiscale":[88],"asymptotic":[89],"for":[91],"macroscopic":[93],"equation.":[96],"(4)":[97],"reevaluate":[106],"materials,":[112],"particular,":[114],"local":[116],"near":[119],"Numerical":[122],"results":[123,146],"one-,":[125],"two-,":[126],"and":[127,152,167],"three-dimensional":[128],"structures":[129],"including":[133],"interface":[136],"are":[137],"given.":[138],"Good":[139],"agreement":[140],"achieved":[142],"between":[143],"numerical":[145],"proposed":[149],"algorithm":[151],"those":[153],"full":[156],"simulation,":[159],"demonstrating":[160],"accuracy":[162],"present":[165],"its":[168],"potential":[169],"applications":[170],"engineering":[173]},"counts_by_year":[{"year":2021,"cited_by_count":1},{"year":2015,"cited_by_count":1},{"year":2014,"cited_by_count":1}],"updated_date":"2026-07-22T07:51:19.307946","created_date":"2025-10-10T00:00:00"}