{"id":"https://openalex.org/W2004471448","doi":"https://doi.org/10.1137/10080590x","title":"Bayesian Inference of Atomic Diffusivity in a Binary Ni/Al System Based on Molecular Dynamics","display_name":"Bayesian Inference of Atomic Diffusivity in a Binary Ni/Al System Based on Molecular Dynamics","publication_year":2011,"publication_date":"2011-01-01","ids":{"openalex":"https://openalex.org/W2004471448","doi":"https://doi.org/10.1137/10080590x","mag":"2004471448"},"language":"en","primary_location":{"id":"doi:10.1137/10080590x","is_oa":false,"landing_page_url":"https://doi.org/10.1137/10080590x","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/A5091149742","display_name":"Francesco Rizzi","orcid":"https://orcid.org/0000-0003-1529-6150"},"institutions":[{"id":"https://openalex.org/I145311948","display_name":"Johns Hopkins University","ror":"https://ror.org/00za53h95","country_code":"US","type":"education","lineage":["https://openalex.org/I145311948"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"F. Rizzi","raw_affiliation_strings":["Department of Mechanical Engineering, Johns Hopkins University, Baltimore, MD 21218"],"affiliations":[{"raw_affiliation_string":"Department of Mechanical Engineering, Johns Hopkins University, Baltimore, MD 21218","institution_ids":["https://openalex.org/I145311948"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5081500966","display_name":"Maher Salloum","orcid":"https://orcid.org/0000-0002-4257-7591"},"institutions":[{"id":"https://openalex.org/I145311948","display_name":"Johns Hopkins University","ror":"https://ror.org/00za53h95","country_code":"US","type":"education","lineage":["https://openalex.org/I145311948"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"M. Salloum","raw_affiliation_strings":["Department of Mechanical Engineering, Johns Hopkins University, Baltimore, MD 21218"],"affiliations":[{"raw_affiliation_string":"Department of Mechanical Engineering, Johns Hopkins University, Baltimore, MD 21218","institution_ids":["https://openalex.org/I145311948"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5071702167","display_name":"Youssef Marzouk","orcid":"https://orcid.org/0000-0001-8242-3290"},"institutions":[{"id":"https://openalex.org/I63966007","display_name":"Massachusetts Institute of Technology","ror":"https://ror.org/042nb2s44","country_code":"US","type":"education","lineage":["https://openalex.org/I63966007"]},{"id":"https://openalex.org/I46020346","display_name":"American Institute of Aeronautics and Astronautics","ror":"https://ror.org/00a1rzv11","country_code":"US","type":"other","lineage":["https://openalex.org/I46020346"]},{"id":"https://openalex.org/I145311948","display_name":"Johns Hopkins University","ror":"https://ror.org/00za53h95","country_code":"US","type":"education","lineage":["https://openalex.org/I145311948"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Y.M. Marzouk","raw_affiliation_strings":["Department of Aeronautics and Astronautics, Massachusetts Institute of Technology, Cambridge, MA 02139","Department of Materials Science and Engineering, Johns Hopkins University, Baltimore, MD 21218"],"affiliations":[{"raw_affiliation_string":"Department of Aeronautics and Astronautics, Massachusetts Institute of Technology, Cambridge, MA 02139","institution_ids":["https://openalex.org/I46020346","https://openalex.org/I63966007"]},{"raw_affiliation_string":"Department of Materials Science and Engineering, Johns Hopkins University, Baltimore, MD 21218","institution_ids":["https://openalex.org/I145311948"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5084279900","display_name":"Rong-Guang Xu","orcid":"https://orcid.org/0000-0002-0716-5831"},"institutions":[{"id":"https://openalex.org/I145311948","display_name":"Johns Hopkins University","ror":"https://ror.org/00za53h95","country_code":"US","type":"education","lineage":["https://openalex.org/I145311948"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"R.-G. Xu","raw_affiliation_strings":["Department of Physics and Astronomy, Johns Hopkins University, Baltimore, MD 21218","Department of Materials Science and Engineering, Johns Hopkins University, Baltimore, MD 21218"],"affiliations":[{"raw_affiliation_string":"Department of Physics and Astronomy, Johns Hopkins University, Baltimore, MD 21218","institution_ids":["https://openalex.org/I145311948"]},{"raw_affiliation_string":"Department of Materials Science and Engineering, Johns Hopkins University, Baltimore, MD 21218","institution_ids":["https://openalex.org/I145311948"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5059162717","display_name":"Michael L. Falk","orcid":"https://orcid.org/0000-0002-8383-4259"},"institutions":[{"id":"https://openalex.org/I4210158778","display_name":"Office of Basic Energy Sciences","ror":"https://ror.org/05mg91w61","country_code":"US","type":"government","lineage":["https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I4210158778"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"M. L. Falk","raw_affiliation_strings":["Basic Energy Sciences, Division of Materials Sciences and Engineering"],"affiliations":[{"raw_affiliation_string":"Basic Energy Sciences, Division of Materials Sciences and Engineering","institution_ids":["https://openalex.org/I4210158778"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5072245292","display_name":"Timothy P. Weihs","orcid":"https://orcid.org/0000-0002-2782-8890"},"institutions":[{"id":"https://openalex.org/I4210158778","display_name":"Office of Basic Energy Sciences","ror":"https://ror.org/05mg91w61","country_code":"US","type":"government","lineage":["https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I4210158778"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"T. P. Weihs","raw_affiliation_strings":["Basic Energy Sciences, Division of Materials Sciences and Engineering"],"affiliations":[{"raw_affiliation_string":"Basic Energy Sciences, Division of Materials Sciences and Engineering","institution_ids":["https://openalex.org/I4210158778"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5108395812","display_name":"Gregory M. Fritz","orcid":null},"institutions":[{"id":"https://openalex.org/I4210158778","display_name":"Office of Basic Energy Sciences","ror":"https://ror.org/05mg91w61","country_code":"US","type":"government","lineage":["https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I4210158778"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"G. Fritz","raw_affiliation_strings":["Basic Energy Sciences, Division of Materials Sciences and Engineering"],"affiliations":[{"raw_affiliation_string":"Basic Energy Sciences, Division of Materials Sciences and Engineering","institution_ids":["https://openalex.org/I4210158778"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5061770406","display_name":"Omar Knio","orcid":"https://orcid.org/0000-0002-0973-1112"},"institutions":[{"id":"https://openalex.org/I145311948","display_name":"Johns Hopkins University","ror":"https://ror.org/00za53h95","country_code":"US","type":"education","lineage":["https://openalex.org/I145311948"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"O. M. Knio","raw_affiliation_strings":["Department of Mechanical Engineering, Johns Hopkins University, Baltimore, MD 21218","Department of Materials Science and Engineering, Johns Hopkins University, Baltimore, MD 21218"],"affiliations":[{"raw_affiliation_string":"Department of Mechanical Engineering, Johns Hopkins University, Baltimore, MD 21218","institution_ids":["https://openalex.org/I145311948"]},{"raw_affiliation_string":"Department of Materials Science and Engineering, Johns Hopkins University, Baltimore, MD 21218","institution_ids":["https://openalex.org/I145311948"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":8,"corresponding_author_ids":["https://openalex.org/A5091149742"],"corresponding_institution_ids":["https://openalex.org/I145311948"],"apc_list":null,"apc_paid":null,"fwci":2.5432,"has_fulltext":false,"cited_by_count":34,"citation_normalized_percentile":{"value":0.87993314,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":"9","issue":"1","first_page":"486","last_page":"512"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12202","display_name":"nanoparticles nucleation surface interactions","score":0.998199999332428,"subfield":{"id":"https://openalex.org/subfields/1902","display_name":"Atmospheric Science"},"field":{"id":"https://openalex.org/fields/19","display_name":"Earth and Planetary Sciences"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T12202","display_name":"nanoparticles nucleation surface interactions","score":0.998199999332428,"subfield":{"id":"https://openalex.org/subfields/1902","display_name":"Atmospheric Science"},"field":{"id":"https://openalex.org/fields/19","display_name":"Earth and Planetary Sciences"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10204","display_name":"Microstructure and mechanical properties","score":0.9907000064849854,"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":0.9904000163078308,"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/statistical-physics","display_name":"Statistical physics","score":0.6780393123626709},{"id":"https://openalex.org/keywords/mean-squared-displacement","display_name":"Mean squared displacement","score":0.5596590638160706},{"id":"https://openalex.org/keywords/thermal-diffusivity","display_name":"Thermal diffusivity","score":0.548710823059082},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.49618393182754517},{"id":"https://openalex.org/keywords/dimensionless-quantity","display_name":"Dimensionless quantity","score":0.4711954593658447},{"id":"https://openalex.org/keywords/mixing","display_name":"Mixing (physics)","score":0.450234979391098},{"id":"https://openalex.org/keywords/work","display_name":"Work (physics)","score":0.42992085218429565},{"id":"https://openalex.org/keywords/bayesian-inference","display_name":"Bayesian inference","score":0.4222028851509094},{"id":"https://openalex.org/keywords/bayesian-probability","display_name":"Bayesian probability","score":0.40689629316329956},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.3708346486091614},{"id":"https://openalex.org/keywords/thermodynamics","display_name":"Thermodynamics","score":0.33648860454559326},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.30611956119537354},{"id":"https://openalex.org/keywords/statistics","display_name":"Statistics","score":0.18387669324874878},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.09725698828697205}],"concepts":[{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.6780393123626709},{"id":"https://openalex.org/C187128312","wikidata":"https://www.wikidata.org/wiki/Q1565055","display_name":"Mean squared displacement","level":3,"score":0.5596590638160706},{"id":"https://openalex.org/C37668627","wikidata":"https://www.wikidata.org/wiki/Q3381809","display_name":"Thermal diffusivity","level":2,"score":0.548710823059082},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.49618393182754517},{"id":"https://openalex.org/C24872484","wikidata":"https://www.wikidata.org/wiki/Q126818","display_name":"Dimensionless quantity","level":2,"score":0.4711954593658447},{"id":"https://openalex.org/C138777275","wikidata":"https://www.wikidata.org/wiki/Q6884054","display_name":"Mixing (physics)","level":2,"score":0.450234979391098},{"id":"https://openalex.org/C18762648","wikidata":"https://www.wikidata.org/wiki/Q42213","display_name":"Work (physics)","level":2,"score":0.42992085218429565},{"id":"https://openalex.org/C160234255","wikidata":"https://www.wikidata.org/wiki/Q812535","display_name":"Bayesian inference","level":3,"score":0.4222028851509094},{"id":"https://openalex.org/C107673813","wikidata":"https://www.wikidata.org/wiki/Q812534","display_name":"Bayesian probability","level":2,"score":0.40689629316329956},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.3708346486091614},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.33648860454559326},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.30611956119537354},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.18387669324874878},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.09725698828697205}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1137/10080590x","is_oa":false,"landing_page_url":"https://doi.org/10.1137/10080590x","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":[{"id":"https://openalex.org/G2329725004","display_name":null,"funder_award_id":"N00014-07-1-0740","funder_id":"https://openalex.org/F4320337345","funder_display_name":"Office of Naval Research"},{"id":"https://openalex.org/G7799399886","display_name":null,"funder_award_id":"00014-07-1-0740","funder_id":"https://openalex.org/F4320337345","funder_display_name":"Office of Naval Research"},{"id":"https://openalex.org/G8876996369","display_name":null,"funder_award_id":"N00014","funder_id":"https://openalex.org/F4320337345","funder_display_name":"Office of Naval Research"},{"id":"https://openalex.org/G911114865","display_name":null,"funder_award_id":"DE-SC0002509","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"}],"funders":[{"id":"https://openalex.org/F4320306084","display_name":"U.S. Department of Energy","ror":"https://ror.org/01bj3aw27"},{"id":"https://openalex.org/F4320337345","display_name":"Office of Naval Research","ror":"https://ror.org/00rk2pe57"},{"id":"https://openalex.org/F4320337480","display_name":"Basic Energy Sciences","ror":"https://ror.org/05mg91w61"},{"id":"https://openalex.org/F4320337506","display_name":"Advanced Scientific Computing Research","ror":"https://ror.org/0012c7r22"},{"id":"https://openalex.org/F4320338291","display_name":"Sandia National Laboratories","ror":"https://ror.org/01apwpt12"},{"id":"https://openalex.org/F4320338483","display_name":"Division of Materials Sciences and Engineering","ror":null}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":44,"referenced_works":["https://openalex.org/W32980360","https://openalex.org/W1969317607","https://openalex.org/W1976962685","https://openalex.org/W1977693356","https://openalex.org/W1978199429","https://openalex.org/W1979028326","https://openalex.org/W1980330974","https://openalex.org/W1982121452","https://openalex.org/W1991794210","https://openalex.org/W1995543824","https://openalex.org/W1999052075","https://openalex.org/W2003019061","https://openalex.org/W2006009797","https://openalex.org/W2008926233","https://openalex.org/W2009985525","https://openalex.org/W2011052445","https://openalex.org/W2011657230","https://openalex.org/W2013696827","https://openalex.org/W2017196167","https://openalex.org/W2019465613","https://openalex.org/W2022482766","https://openalex.org/W2025079053","https://openalex.org/W2025625972","https://openalex.org/W2025687238","https://openalex.org/W2029858734","https://openalex.org/W2033086537","https://openalex.org/W2034630611","https://openalex.org/W2040124994","https://openalex.org/W2041638382","https://openalex.org/W2046231727","https://openalex.org/W2048938657","https://openalex.org/W2062828966","https://openalex.org/W2077961771","https://openalex.org/W2078110508","https://openalex.org/W2081693079","https://openalex.org/W2084614475","https://openalex.org/W2091135630","https://openalex.org/W2093917113","https://openalex.org/W2108487867","https://openalex.org/W2118020555","https://openalex.org/W2119654072","https://openalex.org/W2126795354","https://openalex.org/W2328484999","https://openalex.org/W2606164571"],"related_works":["https://openalex.org/W2385382668","https://openalex.org/W2283102826","https://openalex.org/W2023596821","https://openalex.org/W2351460627","https://openalex.org/W2100701926","https://openalex.org/W1974236007","https://openalex.org/W1969098006","https://openalex.org/W2335514579","https://openalex.org/W2049599337","https://openalex.org/W3033671788"],"abstract_inverted_index":{"This":[0],"work":[1,198],"focuses":[2],"on":[3,15,23,50,78,166],"characterizing":[4],"the":[5,24,29,52,55,61,99,152,178,196],"integral":[6],"features":[7],"of":[8,27,54,60,85,124,146,185,195,202],"atomic":[9],"diffusion":[10,145],"in":[11,32,72,98],"Ni/Al":[12],"nanolaminates":[13],"based":[14,77,165],"molecular":[16],"dynamics":[17],"(MD)":[18],"computations.":[19],"Attention":[20],"is":[21,46,102,111,163,175],"focused":[22],"simplified":[25],"problem":[26],"extracting":[28],"diffusivity,":[30],"D,":[31],"an":[33,127],"isothermal":[34],"system":[35,130],"at":[36],"high":[37],"temperature.":[38],"To":[39],"this":[40,109],"end,":[41],"a":[42,73,86,92,105,114,118],"mixing":[43,64],"measure":[44],"theory":[45],"developed":[47],"that":[48],"relies":[49],"analyzing":[51],"moments":[53,84],"cumulative":[56],"distribution":[57],"functions":[58],"(CDFs)":[59],"constituents.":[62],"The":[63,95],"measures":[65,81],"obtained":[66],"from":[67],"replica":[68],"simulations":[69,101],"are":[70,136,159,190],"exploited":[71],"Bayesian":[74],"inference":[75],"framework,":[76],"contrasting":[79],"these":[80],"with":[82,141,156],"corresponding":[83],"dimensionless":[87],"concentration":[88],"evolving":[89],"according":[90],"to":[91,133,138],"Fickian":[93],"process.":[94],"noise":[96],"inherent":[97],"MD":[100],"described":[103],"as":[104],"Gaussian":[106],"process,":[107],"and":[108,116,172,199],"hypothesis":[110],"verified":[112],"both":[113],"priori":[115],"using":[117,177],"posterior":[119],"predictive":[120],"check.":[121],"Computed":[122],"values":[123],"D":[125,162],"for":[126,144],"initially":[128],"unmixed":[129],"rapidly":[131],"heated":[132],"1500":[134],"K":[135],"found":[137],"be":[139],"consistent":[140],"experimental":[142,157,183],"correlation":[143,180],"Ni":[147],"into":[148],"molten":[149],"Al.":[150],"On":[151],"contrary,":[153],"large":[154],"discrepancies":[155],"predictions":[158],"observed":[160],"when":[161,173],"estimated":[164],"large-time":[167],"mean-square":[168],"displacement":[169],"(MSD)":[170],"analysis,":[171],"it":[174],"evaluated":[176],"Arrhenius":[179],"calibrated":[181],"against":[182],"measurements":[184],"self-propagating":[186],"front":[187],"velocities.":[188],"Implications":[189],"finally":[191],"drawn":[192],"regarding":[193],"extension":[194],"present":[197],"potential":[200],"refinement":[201],"continuum":[203],"modeling":[204],"approaches.":[205]},"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2023,"cited_by_count":4},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":3},{"year":2019,"cited_by_count":1},{"year":2018,"cited_by_count":5},{"year":2017,"cited_by_count":3},{"year":2016,"cited_by_count":2},{"year":2015,"cited_by_count":2},{"year":2014,"cited_by_count":5},{"year":2013,"cited_by_count":4},{"year":2012,"cited_by_count":1}],"updated_date":"2026-04-21T08:09:41.155169","created_date":"2025-10-10T00:00:00"}