{"id":"https://openalex.org/W7223123575","doi":"https://doi.org/10.48550/arxiv.2610.27136","title":"Ammonia-Hydrogen Phase Equilibria in Planetary Envelopes from First-Principles-Based Machine-Learning Molecular Dynamics","display_name":"Ammonia-Hydrogen Phase Equilibria in Planetary Envelopes from First-Principles-Based Machine-Learning Molecular Dynamics","publication_year":2026,"publication_date":"2026-10-19","ids":{"openalex":"https://openalex.org/W7223123575","doi":"https://doi.org/10.48550/arxiv.2610.27136"},"language":"en","primary_location":{"id":"pmh:oai:arXiv.org:2610.27136","doi":null,"is_oa":true,"landing_page_url":"https://arxiv.org/abs/2610.27136","pdf_url":"https://arxiv.org/pdf/2610.27136","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","is_traditional":true,"indexed_in":["arxiv","datacite"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://arxiv.org/pdf/2610.27136","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5159214826","display_name":"Akash Gupta","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I20089843","display_name":"Princeton University","ror":"https://ror.org/00hx57361","country_code":"US","type":"education","lineage":["https://openalex.org/I20089843"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Gupta, Akash","raw_affiliation_strings":["Department of Astrophysical Sciences , Princeton University , Princeton , NJ 08544 , USA;","Department of Geosciences , Princeton University , Princeton , NJ 08544 , USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Astrophysical Sciences , Princeton University , Princeton , NJ 08544 , USA;","institution_ids":["https://openalex.org/I20089843"]},{"raw_affiliation_string":"Department of Geosciences , Princeton University , Princeton , NJ 08544 , USA","institution_ids":["https://openalex.org/I20089843"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5159164553","display_name":"Austin Guo","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I20089843","display_name":"Princeton University","ror":"https://ror.org/00hx57361","country_code":"US","type":"education","lineage":["https://openalex.org/I20089843"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Guo, Austin","raw_affiliation_strings":["Department of Astrophysical Sciences , Princeton University , Princeton , NJ 08544 , USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Astrophysical Sciences , Princeton University , Princeton , NJ 08544 , USA","institution_ids":["https://openalex.org/I20089843"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5159162911","display_name":"Jie Deng","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I20089843","display_name":"Princeton University","ror":"https://ror.org/00hx57361","country_code":"US","type":"education","lineage":["https://openalex.org/I20089843"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Deng, Jie","raw_affiliation_strings":["Department of Geosciences , Princeton University , Princeton , NJ 08544 , USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Geosciences , Princeton University , Princeton , NJ 08544 , USA","institution_ids":["https://openalex.org/I20089843"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I20089843"],"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/T10413","display_name":"High-pressure geophysics and materials","score":0.923799991607666,"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":0.923799991607666,"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/T10325","display_name":"Astro and Planetary Science","score":0.06759999692440033,"subfield":{"id":"https://openalex.org/subfields/1912","display_name":"Space and Planetary 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/T10402","display_name":"Phase Equilibria and Thermodynamics","score":0.0017000000225380063,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/phase-equilibria","display_name":"phase equilibria","score":0.9010000228881836},{"id":"https://openalex.org/keywords/planetary-envelopes","display_name":"planetary envelopes","score":0.9399999976158142},{"id":"https://openalex.org/keywords/machine-learning-interatomic-potentials","display_name":"machine learning interatomic potentials","score":0.7400000095367432},{"id":"https://openalex.org/keywords/phase-separation","display_name":"phase separation","score":0.9129999876022339},{"id":"https://openalex.org/keywords/uranus","display_name":"Uranus","score":0.5490000247955322},{"id":"https://openalex.org/keywords/neptune","display_name":"Neptune","score":0.9990000128746033}],"concepts":[{"id":"https://openalex.org/C2780114079","wikidata":"https://www.wikidata.org/wiki/Q324","display_name":"Uranus","level":3,"score":0.8154000043869019},{"id":"https://openalex.org/C51244244","wikidata":"https://www.wikidata.org/wiki/Q634","display_name":"Planet","level":2,"score":0.7361000180244446},{"id":"https://openalex.org/C119094556","wikidata":"https://www.wikidata.org/wiki/Q380296","display_name":"Binodal","level":4,"score":0.6545000076293945},{"id":"https://openalex.org/C44280652","wikidata":"https://www.wikidata.org/wiki/Q104837","display_name":"Phase (matter)","level":2,"score":0.5357999801635742},{"id":"https://openalex.org/C65155139","wikidata":"https://www.wikidata.org/wiki/Q5380912","display_name":"Envelope (radar)","level":3,"score":0.516700029373169},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.48159998655319214},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.48069998621940613},{"id":"https://openalex.org/C512968161","wikidata":"https://www.wikidata.org/wiki/Q556","display_name":"Hydrogen","level":2,"score":0.48069998621940613},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.4641999900341034},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.43880000710487366},{"id":"https://openalex.org/C204530211","wikidata":"https://www.wikidata.org/wiki/Q752823","display_name":"Thermal","level":2,"score":0.42080000042915344},{"id":"https://openalex.org/C85906118","wikidata":"https://www.wikidata.org/wiki/Q186693","display_name":"Phase diagram","level":3,"score":0.41280001401901245},{"id":"https://openalex.org/C173740370","wikidata":"https://www.wikidata.org/wiki/Q121750","display_name":"Gas giant","level":4,"score":0.37220001220703125},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3601999878883362},{"id":"https://openalex.org/C188324986","wikidata":"https://www.wikidata.org/wiki/Q7180938","display_name":"Phase boundary","level":3,"score":0.35989999771118164},{"id":"https://openalex.org/C41999313","wikidata":"https://www.wikidata.org/wiki/Q489328","display_name":"Molecular physics","level":1,"score":0.32109999656677246},{"id":"https://openalex.org/C2776382133","wikidata":"https://www.wikidata.org/wiki/Q4087","display_name":"Ammonia","level":2,"score":0.32100000977516174},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.3206999897956848},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.3093999922275543},{"id":"https://openalex.org/C110884469","wikidata":"https://www.wikidata.org/wiki/Q906367","display_name":"Miscibility","level":3,"score":0.30730000138282776},{"id":"https://openalex.org/C154010619","wikidata":"https://www.wikidata.org/wiki/Q128207","display_name":"Terrestrial planet","level":3,"score":0.3034999966621399},{"id":"https://openalex.org/C118419359","wikidata":"https://www.wikidata.org/wiki/Q682585","display_name":"Supercritical fluid","level":2,"score":0.27459999918937683},{"id":"https://openalex.org/C5637370","wikidata":"https://www.wikidata.org/wiki/Q402478","display_name":"Thermal fluctuations","level":2,"score":0.273499995470047},{"id":"https://openalex.org/C2993084020","wikidata":"https://www.wikidata.org/wiki/Q556","display_name":"Hydrogen molecule","level":3,"score":0.2705000042915344},{"id":"https://openalex.org/C87355193","wikidata":"https://www.wikidata.org/wiki/Q411","display_name":"Astrobiology","level":1,"score":0.2671000063419342},{"id":"https://openalex.org/C177562468","wikidata":"https://www.wikidata.org/wiki/Q182893","display_name":"Dispersion (optics)","level":2,"score":0.25859999656677246},{"id":"https://openalex.org/C29234059","wikidata":"https://www.wikidata.org/wiki/Q2666979","display_name":"Spinodal decomposition","level":3,"score":0.2583000063896179},{"id":"https://openalex.org/C26148502","wikidata":"https://www.wikidata.org/wiki/Q2488752","display_name":"Earth (classical element)","level":2,"score":0.2524999976158142},{"id":"https://openalex.org/C539450922","wikidata":"https://www.wikidata.org/wiki/Q544","display_name":"Solar System","level":2,"score":0.251800000667572},{"id":"https://openalex.org/C62354387","wikidata":"https://www.wikidata.org/wiki/Q875399","display_name":"Boundary (topology)","level":2,"score":0.2502000033855438}],"mesh":[],"locations_count":2,"locations":[{"id":"pmh:oai:arXiv.org:2610.27136","doi":null,"is_oa":true,"landing_page_url":"https://arxiv.org/abs/2610.27136","pdf_url":"https://arxiv.org/pdf/2610.27136","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.2610.27136","doi":"https://doi.org/10.48550/arxiv.2610.27136","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.2610.27136","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:2610.27136","doi":null,"is_oa":true,"landing_page_url":"https://arxiv.org/abs/2610.27136","pdf_url":"https://arxiv.org/pdf/2610.27136","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":[{"id":"https://openalex.org/F4320309292","display_name":"Princeton University","ror":"https://ror.org/00hx57361"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W7223123575.pdf","grobid_xml":"https://content.openalex.org/works/W7223123575.grobid-xml"},"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W1995476941","https://openalex.org/W4408773191","https://openalex.org/W1967348462","https://openalex.org/W3036866157","https://openalex.org/W2904182965","https://openalex.org/W1549154779","https://openalex.org/W2995626992","https://openalex.org/W2070258708","https://openalex.org/W856145041","https://openalex.org/W2040787637"],"abstract_inverted_index":{"Ammonia":[0],"and":[1,9,39,64,67,100,108,125,128,137,170,177,199,217,233],"hydrogen":[2,200,221],"are":[3,152,201],"major":[4],"constituents":[5],"of":[6,30,61,74,79,117,175],"planets":[7,187,225],"within":[8],"beyond":[10],"the":[11,31,59,68,118,129,160,164],"solar":[12],"system,":[13],"yet":[14],"how":[15],"they":[16],"interact":[17],"in":[18,185,191,204,222],"planetary":[19],"envelopes":[20],"is":[21],"poorly":[22],"known.":[23],"We":[24],"perform":[25],"large-scale":[26],"two-phase":[27],"coexistence":[28,150],"simulations":[29],"ammonia-hydrogen":[32],"system":[33],"from":[34,77,88,220],"500":[35,89],"to":[36,41,94,112,143,146],"4000":[37,109],"K":[38,90,96,110],"0.1":[40,92],"100":[42,113],"GPa,":[43,99,127],"driven":[44],"by":[45],"machine-learning":[46],"interatomic":[47],"potentials":[48],"trained":[49],"on":[50],"density":[51],"functional":[52],"theory":[53],"calculations.":[54],"From":[55],"these":[56,186],"we":[57,101],"map":[58],"compositions":[60],"coexisting":[62],"hydrogen-rich":[63],"ammonia-rich":[65,156],"phases,":[66],"critical":[69,83,119,157],"curve":[70,120,130],"that":[71,214],"separates":[72],"conditions":[73],"complete":[75],"miscibility":[76],"those":[78],"phase":[80,104,165],"separation.":[81],"The":[82,115,149],"temperature":[84],"increases":[85],"with":[86,154,208,227],"pressure,":[87],"at":[91,106],"GPa":[93,136],"2000":[95,138],"near":[97],"30":[98,126,135],"find":[102],"no":[103],"separation":[105],"3000":[107],"up":[111],"GPa.":[114],"slope":[116],"decreases":[121],"substantially":[122],"between":[123],"0.3":[124],"nearly":[131],"flattens":[132],"above":[133],"about":[134],"K,":[139],"where":[140],"molecules":[141],"begin":[142],"give":[144],"way":[145],"atomic":[147],"species.":[148],"curves":[151],"asymmetric":[153],"an":[155],"composition.":[158],"For":[159],"expected":[161],"envelope":[162],"compositions,":[163],"boundary":[166],"lies":[167],"close":[168],"to,":[169],"intersects,":[171],"published":[172],"thermal":[173,232],"profiles":[174],"Uranus":[176],"Neptune,":[178],"implying":[179],"ammonia":[180,198,218],"may":[181],"be":[182],"raining":[183],"out":[184],"today.":[188],"In":[189],"contrast,":[190],"warm":[192],"sub-Neptunes":[193],"such":[194],"as":[195,224],"TOI-270":[196],"d,":[197],"likely":[202],"miscible":[203],"all":[205],"proportions.":[206],"Together":[207],"previous":[209],"studies,":[210],"our":[211],"results":[212],"suggest":[213],"silicates,":[215],"water":[216],"separate":[219],"sequence":[223],"cool,":[226],"implications":[228],"for":[229],"their":[230],"compositional,":[231],"structural":[234],"evolution.":[235]},"counts_by_year":[],"updated_date":"2026-11-06T12:05:46.655746","created_date":"2026-10-22T00:00:00"}
