{"id":"https://openalex.org/W7214340947","doi":"https://doi.org/10.48550/arxiv.2609.28926","title":"Teaching an LLM agent to fit XRR curves with X-Ray Calc 3","display_name":"Teaching an LLM agent to fit XRR curves with X-Ray Calc 3","publication_year":2026,"publication_date":"2026-09-24","ids":{"openalex":"https://openalex.org/W7214340947","doi":"https://doi.org/10.48550/arxiv.2609.28926"},"language":"en","primary_location":{"id":"pmh:oai:arXiv.org:2609.28926","doi":null,"is_oa":true,"landing_page_url":"https://arxiv.org/abs/2609.28926","pdf_url":"https://arxiv.org/pdf/2609.28926","source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"text"},"volume":null,"type":"preprint","indexed_in":["arxiv","datacite"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://arxiv.org/pdf/2609.28926","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5069861029","display_name":"Oleksiy V. Penkov","orcid":"https://orcid.org/0000-0003-3675-5301","observed_orcids":["https://orcid.org/0000-0003-3675-5301"]},"institutions":[{"id":"https://openalex.org/I157725225","display_name":"University of Illinois Urbana-Champaign","ror":"https://ror.org/047426m28","country_code":"US","type":"education","lineage":["https://openalex.org/I157725225"]},{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN","US"],"is_corresponding":false,"raw_author_name":"Penkov, Oleksiy V.","raw_affiliation_strings":["Department of Mechanical Science and Engineering , University of Illinois Urbana-Champaign , Urbana , IL 61801 , USA","ZJU-UIUC Institute , Zhejiang University , Haining , Zhejiang 314400 , People's Republic of China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Mechanical Science and Engineering , University of Illinois Urbana-Champaign , Urbana , IL 61801 , USA","institution_ids":["https://openalex.org/I157725225"]},{"raw_affiliation_string":"ZJU-UIUC Institute , Zhejiang University , Haining , Zhejiang 314400 , People's Republic of China","institution_ids":["https://openalex.org/I76130692"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5029919108","display_name":"Jingjing Peng","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Peng, Jingjing","raw_affiliation_strings":["School of Materials Science & Engineering , Zhejiang University , Hangzhou 310058 , China","ZJU-UIUC Institute , Zhejiang University , Haining , Zhejiang 314400 , People's Republic of China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Materials Science & Engineering , Zhejiang University , Hangzhou 310058 , China","institution_ids":["https://openalex.org/I76130692"]},{"raw_affiliation_string":"ZJU-UIUC Institute , Zhejiang University , Haining , Zhejiang 314400 , People's Republic of China","institution_ids":["https://openalex.org/I76130692"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5013839479","display_name":"Haoyu Fu","orcid":"https://orcid.org/0000-0002-2108-7729","observed_orcids":["https://orcid.org/0000-0002-2108-7729"]},"institutions":[{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Fu, Haoyu","raw_affiliation_strings":["School of Materials Science & Engineering , Zhejiang University , Hangzhou 310058 , China","ZJU-UIUC Institute , Zhejiang University , Haining , Zhejiang 314400 , People's Republic of China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Materials Science & Engineering , Zhejiang University , Hangzhou 310058 , China","institution_ids":["https://openalex.org/I76130692"]},{"raw_affiliation_string":"ZJU-UIUC Institute , Zhejiang University , Haining , Zhejiang 314400 , People's Republic of China","institution_ids":["https://openalex.org/I76130692"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":2,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":null,"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12613","display_name":"X-ray Diffraction in Crystallography","score":0.7103999853134155,"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"}},"topics":[{"id":"https://openalex.org/T12613","display_name":"X-ray Diffraction in Crystallography","score":0.7103999853134155,"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/T12039","display_name":"Electron and X-Ray Spectroscopy Techniques","score":0.1273999959230423,"subfield":{"id":"https://openalex.org/subfields/2508","display_name":"Surfaces, Coatings and Films"},"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/T11733","display_name":"X-ray Spectroscopy and Fluorescence Analysis","score":0.06560000032186508,"subfield":{"id":"https://openalex.org/subfields/3108","display_name":"Radiation"},"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/x-ray-reflectivity","display_name":"X-ray reflectivity","score":0.9729999899864197},{"id":"https://openalex.org/keywords/curve-fitting","display_name":"curve fitting","score":0.8930000066757202},{"id":"https://openalex.org/keywords/multilayer-films","display_name":"multilayer films","score":0.703000009059906},{"id":"https://openalex.org/keywords/thin-film-thickness-measurement","display_name":"thin film thickness measurement","score":0.5740000009536743},{"id":"https://openalex.org/keywords/surface-roughness","display_name":"surface roughness","score":0.5860000252723694},{"id":"https://openalex.org/keywords/graphical-user-interface","display_name":"graphical user interface","score":0.41600000858306885},{"id":"https://openalex.org/keywords/data-analysis-software","display_name":"data analysis software","score":0.4880000054836273}],"concepts":[{"id":"https://openalex.org/C55148256","wikidata":"https://www.wikidata.org/wiki/Q1382432","display_name":"X-ray reflectivity","level":3,"score":0.7426999807357788},{"id":"https://openalex.org/C184389593","wikidata":"https://www.wikidata.org/wiki/Q603159","display_name":"Curve fitting","level":2,"score":0.701200008392334},{"id":"https://openalex.org/C108597893","wikidata":"https://www.wikidata.org/wiki/Q663650","display_name":"Reflectivity","level":2,"score":0.6126999855041504},{"id":"https://openalex.org/C121684516","wikidata":"https://www.wikidata.org/wiki/Q7600677","display_name":"Computer graphics (images)","level":1,"score":0.5636000037193298},{"id":"https://openalex.org/C554936623","wikidata":"https://www.wikidata.org/wiki/Q199657","display_name":"Reading (process)","level":2,"score":0.47780001163482666},{"id":"https://openalex.org/C120665830","wikidata":"https://www.wikidata.org/wiki/Q14620","display_name":"Optics","level":1,"score":0.4507000148296356},{"id":"https://openalex.org/C2776760102","wikidata":"https://www.wikidata.org/wiki/Q5139990","display_name":"Code (set theory)","level":3,"score":0.4323999881744385},{"id":"https://openalex.org/C61423126","wikidata":"https://www.wikidata.org/wiki/Q187432","display_name":"Scripting language","level":2,"score":0.4163999855518341},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.38670000433921814},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.35510000586509705},{"id":"https://openalex.org/C2777904410","wikidata":"https://www.wikidata.org/wiki/Q7397","display_name":"Software","level":2,"score":0.32690000534057617},{"id":"https://openalex.org/C199639397","wikidata":"https://www.wikidata.org/wiki/Q1788588","display_name":"Engineering drawing","level":1,"score":0.30869999527931213},{"id":"https://openalex.org/C30475298","wikidata":"https://www.wikidata.org/wiki/Q909554","display_name":"Computational physics","level":1,"score":0.290800005197525},{"id":"https://openalex.org/C165838908","wikidata":"https://www.wikidata.org/wiki/Q736777","display_name":"Calibration","level":2,"score":0.2896000146865845},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.27149999141693115},{"id":"https://openalex.org/C198352243","wikidata":"https://www.wikidata.org/wiki/Q37105","display_name":"Line (geometry)","level":2,"score":0.26809999346733093},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.2662000060081482},{"id":"https://openalex.org/C21442007","wikidata":"https://www.wikidata.org/wiki/Q1027879","display_name":"Graphics","level":2,"score":0.26089999079704285},{"id":"https://openalex.org/C199289684","wikidata":"https://www.wikidata.org/wiki/Q83353","display_name":"Mineralogy","level":1,"score":0.25769999623298645},{"id":"https://openalex.org/C43126263","wikidata":"https://www.wikidata.org/wiki/Q128751","display_name":"Source code","level":2,"score":0.25119999051094055}],"mesh":[],"locations_count":2,"locations":[{"id":"pmh:oai:arXiv.org:2609.28926","doi":null,"is_oa":true,"landing_page_url":"https://arxiv.org/abs/2609.28926","pdf_url":"https://arxiv.org/pdf/2609.28926","source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"text"},{"id":"doi:10.48550/arxiv.2609.28926","doi":"https://doi.org/10.48550/arxiv.2609.28926","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.2609.28926","pdf_url":null,"source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Preprint"}],"best_oa_location":{"id":"pmh:oai:arXiv.org:2609.28926","doi":null,"is_oa":true,"landing_page_url":"https://arxiv.org/abs/2609.28926","pdf_url":"https://arxiv.org/pdf/2609.28926","source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"text"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W7214340947.pdf","grobid_xml":"https://content.openalex.org/works/W7214340947.grobid-xml"},"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W3031390124","https://openalex.org/W4392858704","https://openalex.org/W2724929425","https://openalex.org/W4974235","https://openalex.org/W7071060594","https://openalex.org/W2289474932","https://openalex.org/W2137687160","https://openalex.org/W2153156804","https://openalex.org/W2033657665","https://openalex.org/W2015833241"],"abstract_inverted_index":{"The":[0,36,101,140,159],"structure":[1],"of":[2,38,147,151,162,183,209],"a":[3,34,73,76,97,108,124,155],"periodic":[4],"multilayer":[5],"X-ray":[6,13],"mirror":[7],"is":[8,56],"obtained":[9],"by":[10],"fitting":[11,40,60,90],"its":[12,46],"reflectivity":[14],"(XRR)":[15],"curve,":[16,29,122],"and":[17,26,32,42,91,96,123,150,187,198,201],"the":[18,23,28,39,43,52,59,63,84,119,131,163,174,177,184,188,192,199],"result":[19],"depends":[20],"on":[21,144,167,194,207],"how":[22],"operator":[24],"normalizes":[25],"trims":[27],"frees":[30],"parameters,":[31],"accepts":[33],"fit.":[35],"manual":[37],"program":[41],"papers":[44],"describing":[45],"engine":[47],"leave":[48],"these":[49],"decisions":[50,86],"to":[51,71],"operator,":[53],"whose":[54],"practice":[55],"tacit,":[57],"so":[58],"stays":[61],"with":[62],"expert.":[64],"To":[65],"solve":[66],"this":[67],"problem,":[68],"we":[69],"proposed":[70],"develop":[72],"skill":[74,141,164,175],"for":[75],"large":[77],"language":[78],"model":[79],"(LLM)":[80],"agent":[81,102],"via":[82],"elicitation:":[83],"expert's":[85,185],"were":[87,127],"recorded":[88],"during":[89],"written":[92],"as":[93],"thirteen":[94],"steps":[95],"22-item":[98],"report":[99],"template.":[100],"runs":[103],"X-Ray":[104],"Calc":[105],"3":[106],"through":[107,191],"Model":[109],"Context":[110],"Protocol":[111],"(MCP)":[112],"tool":[113],"server.":[114],"Fresh":[115],"sessions,":[116],"each":[117],"given":[118],"skill,":[120],"one":[121,208],"nominal":[125],"design,":[126],"scored":[128],"against":[129],"fits":[130,186],"expert":[132],"had":[133],"withheld,":[134],"under":[135],"six":[136],"tolerances":[137],"fixed":[138],"beforehand.":[139],"was":[142,165,171],"developed":[143],"XRR":[145],"curves":[146],"Co/C":[148],"mirrors":[149,153],"Ru/C":[152],"from":[154],"public":[156],"data":[157],"deposit.":[158],"final":[160],"version":[161],"tested":[166],"W/B4C":[168,196],"multilayers.":[169],"It":[170],"demonstrated":[172],"that":[173],"recovered":[176],"mean":[178],"period":[179,189],"within":[180,204],"0.3":[181],"\u00c5":[182,206],"drift":[190],"stack":[193],"both":[195],"specimens,":[197],"W":[200],"B4C":[202],"thicknesses":[203],"1":[205],"them.":[210]},"counts_by_year":[],"updated_date":"2026-10-31T12:09:11.096373","created_date":"2026-09-26T00:00:00"}