{"id":"https://openalex.org/W4415952111","doi":"https://doi.org/10.32604/cmc.2025.071624","title":"Atomistic Simulation Study on Spall Failure and Damage Evolution in Single-Crystalline Ta at Elevated Temperatures","display_name":"Atomistic Simulation Study on Spall Failure and Damage Evolution in Single-Crystalline Ta at Elevated Temperatures","publication_year":2025,"publication_date":"2025-11-06","ids":{"openalex":"https://openalex.org/W4415952111","doi":"https://doi.org/10.32604/cmc.2025.071624"},"language":"en","primary_location":{"id":"doi:10.32604/cmc.2025.071624","is_oa":true,"landing_page_url":"https://doi.org/10.32604/cmc.2025.071624","pdf_url":null,"source":{"id":"https://openalex.org/S4210191605","display_name":"Computers, materials & continua/Computers, materials & continua (Print)","issn_l":"1546-2218","issn":["1546-2218","1546-2226"],"is_oa":true,"is_in_doaj":false,"is_core":true,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computers, Materials &amp; Continua","raw_type":"journal-article"},"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"diamond","oa_url":"https://doi.org/10.32604/cmc.2025.071624","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5101743453","display_name":"Yuntian Wang","orcid":"https://orcid.org/0000-0001-8214-6297"},"institutions":[{"id":"https://openalex.org/I150229711","display_name":"University of Electronic Science and Technology of China","ror":"https://ror.org/04qr3zq92","country_code":"CN","type":"education","lineage":["https://openalex.org/I150229711"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yuntian Wang","raw_affiliation_strings":["Sichuan Provincial Engineering Research Center of Thermoelectric Materials and Devices, Chengdu, 610041, China 2 Postdoctor Innovation and Practice Base, Chengdu Polytechnic, Chengdu, 610041, China 3 School of Civil Engineering, Changsha University of Science and Technology, Changsha, 410114, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Sichuan Provincial Engineering Research Center of Thermoelectric Materials and Devices, Chengdu, 610041, China 2 Postdoctor Innovation and Practice Base, Chengdu Polytechnic, Chengdu, 610041, China 3 School of Civil Engineering, Changsha University of Science and Technology, Changsha, 410114, China","institution_ids":["https://openalex.org/I150229711"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5034381899","display_name":"Taohua Liang","orcid":null},"institutions":[{"id":"https://openalex.org/I150229711","display_name":"University of Electronic Science and Technology of China","ror":"https://ror.org/04qr3zq92","country_code":"CN","type":"education","lineage":["https://openalex.org/I150229711"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Taohua Liang","raw_affiliation_strings":["Sichuan Provincial Engineering Research Center of Thermoelectric Materials and Devices, Chengdu, 610041, China 2 Postdoctor Innovation and Practice Base, Chengdu Polytechnic, Chengdu, 610041, China 3 School of Civil Engineering, Changsha University of Science and Technology, Changsha, 410114, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Sichuan Provincial Engineering Research Center of Thermoelectric Materials and Devices, Chengdu, 610041, China 2 Postdoctor Innovation and Practice Base, Chengdu Polytechnic, Chengdu, 610041, China 3 School of Civil Engineering, Changsha University of Science and Technology, Changsha, 410114, China","institution_ids":["https://openalex.org/I150229711"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100669962","display_name":"Yuan Zhou","orcid":"https://orcid.org/0000-0001-5645-9484"},"institutions":[{"id":"https://openalex.org/I150229711","display_name":"University of Electronic Science and Technology of China","ror":"https://ror.org/04qr3zq92","country_code":"CN","type":"education","lineage":["https://openalex.org/I150229711"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yuan Zhou","raw_affiliation_strings":["Sichuan Provincial Engineering Research Center of Thermoelectric Materials and Devices, Chengdu, 610041, China 2 Postdoctor Innovation and Practice Base, Chengdu Polytechnic, Chengdu, 610041, China 3 School of Civil Engineering, Changsha University of Science and Technology, Changsha, 410114, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Sichuan Provincial Engineering Research Center of Thermoelectric Materials and Devices, Chengdu, 610041, China 2 Postdoctor Innovation and Practice Base, Chengdu Polytechnic, Chengdu, 610041, China 3 School of Civil Engineering, Changsha University of Science and Technology, Changsha, 410114, China","institution_ids":["https://openalex.org/I150229711"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5016878232","display_name":"Weimei Shi","orcid":"https://orcid.org/0000-0002-1745-2172"},"institutions":[{"id":"https://openalex.org/I150229711","display_name":"University of Electronic Science and Technology of China","ror":"https://ror.org/04qr3zq92","country_code":"CN","type":"education","lineage":["https://openalex.org/I150229711"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Weimei Shi","raw_affiliation_strings":["Sichuan Provincial Engineering Research Center of Thermoelectric Materials and Devices, Chengdu, 610041, China 2 Postdoctor Innovation and Practice Base, Chengdu Polytechnic, Chengdu, 610041, China 3 School of Civil Engineering, Changsha University of Science and Technology, Changsha, 410114, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Sichuan Provincial Engineering Research Center of Thermoelectric Materials and Devices, Chengdu, 610041, China 2 Postdoctor Innovation and Practice Base, Chengdu Polytechnic, Chengdu, 610041, China 3 School of Civil Engineering, Changsha University of Science and Technology, Changsha, 410114, China","institution_ids":["https://openalex.org/I150229711"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5055367068","display_name":"Lijuan Huang","orcid":"https://orcid.org/0000-0003-2727-9454"},"institutions":[{"id":"https://openalex.org/I150229711","display_name":"University of Electronic Science and Technology of China","ror":"https://ror.org/04qr3zq92","country_code":"CN","type":"education","lineage":["https://openalex.org/I150229711"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Lijuan Huang","raw_affiliation_strings":["Sichuan Provincial Engineering Research Center of Thermoelectric Materials and Devices, Chengdu, 610041, China 2 Postdoctor Innovation and Practice Base, Chengdu Polytechnic, Chengdu, 610041, China 3 School of Civil Engineering, Changsha University of Science and Technology, Changsha, 410114, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Sichuan Provincial Engineering Research Center of Thermoelectric Materials and Devices, Chengdu, 610041, China 2 Postdoctor Innovation and Practice Base, Chengdu Polytechnic, Chengdu, 610041, China 3 School of Civil Engineering, Changsha University of Science and Technology, Changsha, 410114, China","institution_ids":["https://openalex.org/I150229711"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5034885233","display_name":"Yuzhu Guo","orcid":"https://orcid.org/0000-0002-8588-5172"},"institutions":[{"id":"https://openalex.org/I150229711","display_name":"University of Electronic Science and Technology of China","ror":"https://ror.org/04qr3zq92","country_code":"CN","type":"education","lineage":["https://openalex.org/I150229711"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yuzhu Guo","raw_affiliation_strings":["Sichuan Provincial Engineering Research Center of Thermoelectric Materials and Devices, Chengdu, 610041, China 2 Postdoctor Innovation and Practice Base, Chengdu Polytechnic, Chengdu, 610041, China 3 School of Civil Engineering, Changsha University of Science and Technology, Changsha, 410114, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Sichuan Provincial Engineering Research Center of Thermoelectric Materials and Devices, Chengdu, 610041, China 2 Postdoctor Innovation and Practice Base, Chengdu Polytechnic, Chengdu, 610041, China 3 School of Civil Engineering, Changsha University of Science and Technology, Changsha, 410114, China","institution_ids":["https://openalex.org/I150229711"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I150229711"],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.29309942,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"86","issue":"2","first_page":"1","last_page":"26"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10413","display_name":"High-pressure geophysics and materials","score":0.8647000193595886,"subfield":{"id":"https://openalex.org/subfields/1908","display_name":"Geophysics"},"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/T10413","display_name":"High-pressure geophysics and materials","score":0.8647000193595886,"subfield":{"id":"https://openalex.org/subfields/1908","display_name":"Geophysics"},"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/T10806","display_name":"Energetic Materials and Combustion","score":0.04529999941587448,"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/T11100","display_name":"Intermetallics and Advanced Alloy Properties","score":0.013199999928474426,"subfield":{"id":"https://openalex.org/subfields/2210","display_name":"Mechanical Engineering"},"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/spall","display_name":"Spall","score":0.9309999942779541},{"id":"https://openalex.org/keywords/spallation","display_name":"Spallation","score":0.8080000281333923},{"id":"https://openalex.org/keywords/void","display_name":"Void (composites)","score":0.5724999904632568},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.5597000122070312},{"id":"https://openalex.org/keywords/drop","display_name":"Drop (telecommunication)","score":0.5390999913215637},{"id":"https://openalex.org/keywords/nucleation","display_name":"Nucleation","score":0.5339000225067139},{"id":"https://openalex.org/keywords/tantalum","display_name":"Tantalum","score":0.4925000071525574},{"id":"https://openalex.org/keywords/porosity","display_name":"Porosity","score":0.446399986743927},{"id":"https://openalex.org/keywords/thermal-shock","display_name":"Thermal shock","score":0.439300000667572}],"concepts":[{"id":"https://openalex.org/C64355373","wikidata":"https://www.wikidata.org/wiki/Q1024411","display_name":"Spall","level":2,"score":0.9309999942779541},{"id":"https://openalex.org/C11608111","wikidata":"https://www.wikidata.org/wiki/Q576621","display_name":"Spallation","level":3,"score":0.8080000281333923},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.7767999768257141},{"id":"https://openalex.org/C2779772531","wikidata":"https://www.wikidata.org/wiki/Q19689164","display_name":"Void (composites)","level":2,"score":0.5724999904632568},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.5597000122070312},{"id":"https://openalex.org/C2781345722","wikidata":"https://www.wikidata.org/wiki/Q5308388","display_name":"Drop (telecommunication)","level":2,"score":0.5390999913215637},{"id":"https://openalex.org/C61048295","wikidata":"https://www.wikidata.org/wiki/Q909022","display_name":"Nucleation","level":2,"score":0.5339000225067139},{"id":"https://openalex.org/C57879066","wikidata":"https://www.wikidata.org/wiki/Q41217","display_name":"Mechanics","level":1,"score":0.503000020980835},{"id":"https://openalex.org/C514619126","wikidata":"https://www.wikidata.org/wiki/Q1123","display_name":"Tantalum","level":2,"score":0.4925000071525574},{"id":"https://openalex.org/C6648577","wikidata":"https://www.wikidata.org/wiki/Q622669","display_name":"Porosity","level":2,"score":0.446399986743927},{"id":"https://openalex.org/C176177977","wikidata":"https://www.wikidata.org/wiki/Q960836","display_name":"Thermal shock","level":2,"score":0.439300000667572},{"id":"https://openalex.org/C159985019","wikidata":"https://www.wikidata.org/wiki/Q181790","display_name":"Composite material","level":1,"score":0.420199990272522},{"id":"https://openalex.org/C2781300812","wikidata":"https://www.wikidata.org/wiki/Q178061","display_name":"Shock (circulatory)","level":2,"score":0.4196999967098236},{"id":"https://openalex.org/C44280652","wikidata":"https://www.wikidata.org/wiki/Q104837","display_name":"Phase (matter)","level":2,"score":0.4018999934196472},{"id":"https://openalex.org/C2985276288","wikidata":"https://www.wikidata.org/wiki/Q16873139","display_name":"Melting temperature","level":2,"score":0.3937999904155731},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.38690000772476196},{"id":"https://openalex.org/C13530604","wikidata":"https://www.wikidata.org/wiki/Q15318","display_name":"Melting point","level":2,"score":0.38519999384880066},{"id":"https://openalex.org/C70836080","wikidata":"https://www.wikidata.org/wiki/Q837940","display_name":"Impulse (physics)","level":2,"score":0.34599998593330383},{"id":"https://openalex.org/C157116553","wikidata":"https://www.wikidata.org/wiki/Q898817","display_name":"Embedded atom model","level":3,"score":0.34470000863075256},{"id":"https://openalex.org/C2776372370","wikidata":"https://www.wikidata.org/wiki/Q3399989","display_name":"Interatomic potential","level":3,"score":0.3425000011920929},{"id":"https://openalex.org/C204530211","wikidata":"https://www.wikidata.org/wiki/Q752823","display_name":"Thermal","level":2,"score":0.3240000009536743},{"id":"https://openalex.org/C2779566948","wikidata":"https://www.wikidata.org/wiki/Q583365","display_name":"Manganin","level":3,"score":0.3222000002861023},{"id":"https://openalex.org/C171889981","wikidata":"https://www.wikidata.org/wiki/Q1454008","display_name":"Free surface","level":2,"score":0.3050000071525574},{"id":"https://openalex.org/C195065555","wikidata":"https://www.wikidata.org/wiki/Q214881","display_name":"Curvature","level":2,"score":0.30149999260902405},{"id":"https://openalex.org/C513153333","wikidata":"https://www.wikidata.org/wiki/Q663","display_name":"Aluminium","level":2,"score":0.2989000082015991},{"id":"https://openalex.org/C70477161","wikidata":"https://www.wikidata.org/wiki/Q190688","display_name":"Shock wave","level":2,"score":0.2987000048160553},{"id":"https://openalex.org/C79186407","wikidata":"https://www.wikidata.org/wiki/Q472074","display_name":"Plasticity","level":2,"score":0.28700000047683716},{"id":"https://openalex.org/C26873012","wikidata":"https://www.wikidata.org/wiki/Q214781","display_name":"Condensed matter physics","level":1,"score":0.27950000762939453},{"id":"https://openalex.org/C191897082","wikidata":"https://www.wikidata.org/wiki/Q11467","display_name":"Metallurgy","level":1,"score":0.26910001039505005},{"id":"https://openalex.org/C112964491","wikidata":"https://www.wikidata.org/wiki/Q213659","display_name":"Supercooling","level":2,"score":0.26460000872612},{"id":"https://openalex.org/C44255700","wikidata":"https://www.wikidata.org/wiki/Q978423","display_name":"Hardening (computing)","level":3,"score":0.2581000030040741}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.32604/cmc.2025.071624","is_oa":true,"landing_page_url":"https://doi.org/10.32604/cmc.2025.071624","pdf_url":null,"source":{"id":"https://openalex.org/S4210191605","display_name":"Computers, materials & continua/Computers, materials & continua (Print)","issn_l":"1546-2218","issn":["1546-2218","1546-2226"],"is_oa":true,"is_in_doaj":false,"is_core":true,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computers, Materials &amp; Continua","raw_type":"journal-article"}],"best_oa_location":{"id":"doi:10.32604/cmc.2025.071624","is_oa":true,"landing_page_url":"https://doi.org/10.32604/cmc.2025.071624","pdf_url":null,"source":{"id":"https://openalex.org/S4210191605","display_name":"Computers, materials & continua/Computers, materials & continua (Print)","issn_l":"1546-2218","issn":["1546-2218","1546-2226"],"is_oa":true,"is_in_doaj":false,"is_core":true,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computers, Materials &amp; Continua","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":[],"abstract_inverted_index":{"This":[0,165],"investigation":[1],"utilizes":[2],"non-equilibrium":[3],"molecular":[4],"dynamics":[5],"(NEMD)":[6],"simulations":[7],"to":[8,26,47,90],"explore":[9],"shock-induced":[10,70],"spallation":[11,30,34],"in":[12,134,170,176],"single-crystal":[13],"tantalum":[14],"across":[15],"shock":[16,36,63,178],"velocities":[17],"of":[18,80],"0.75\u20134":[19],"km/s":[20],"and":[21,57,72,104,120,141,160],"initial":[22],"temperatures":[23,94],"from":[24],"300":[25],"2000":[27],"K.":[28],"Two":[29],"modes":[31],"emerge:":[32],"classical":[33,135],"for":[35,62],"velocity":[37,64,130],"below":[38],"1.5":[39],"km/s,":[40,67],"with":[41,74,87,108,126],"solid-state":[42],"reversible":[43],"Body-Centered":[44],"Cubic":[45,49],"(BCC)":[46],"Face-Centered":[48],"(FCC)":[50],"or":[51],"Hexagonal":[52],"Close-Packed":[53],"(HCP)":[54],"phase":[55],"transformations":[56],"discrete":[58],"void":[59,96],"nucleation-coalescence;":[60],"micro-spallation":[61],"above":[65],"3.0":[66],"featuring":[68],"complete":[69],"melting":[71,114],"fragmentation,":[73],"a":[75],"transitional":[76],"regime":[77],"(2.0\u20132.5":[78],"km/s)":[79],"partial":[81],"melting.":[82],"Spall":[83],"strength":[84],"decreases":[85],"monotonically":[86],"temperature":[88],"due":[89],"thermal":[91],"softening.":[92],"Elevated":[93],"delay":[95],"nucleation":[97],"but":[98,153],"increase":[99],"density,":[100],"expanding":[101],"spall":[102,144],"regions":[103],"enhancing":[105],"structural":[106],"disorder":[107],"reduced":[109],"BCC":[110],"recovery.":[111],"For":[112],"micro-spallation,":[113,147],"exacerbates":[115],"damage,":[116],"causing":[117],"smaller":[118],"voids":[119],"intensified":[121],"atomic":[122],"ejection,":[123],"which":[124],"increases":[125],"temperature.":[127],"Free":[128],"surface":[129],"profiles":[131],"indicate":[132],"damage:":[133],"spallation,":[136,172],"first":[137,149],"drop":[138,150],"marks":[139],"nucleation,":[140],"pullback":[142,158],"signals":[143,159],"layers.":[145],"In":[146],"the":[148],"is":[151],"irrelevant,":[152],"remains":[154],"valid.":[155],"Temperature":[156],"delays":[157],"weakens":[161],"Hugoniot":[162],"Elastic":[163],"Limit.":[164],"study":[166],"clarifies":[167],"temperature-shock":[168],"coupling":[169],"Ta":[171],"aiding":[173],"failure":[174],"prediction":[175],"high-temperature":[177],"environments.":[179]},"counts_by_year":[],"updated_date":"2026-06-25T06:16:34.145877","created_date":"2025-11-06T00:00:00"}
