<> <http://www.w3.org/2000/01/rdf-schema#comment> "The repository administrator has not yet configured an RDF license."^^<http://www.w3.org/2001/XMLSchema#string> . <> <http://xmlns.com/foaf/0.1/primaryTopic> <https://discovery.ucl.ac.uk/id/eprint/1415892> . <https://discovery.ucl.ac.uk/id/eprint/1415892> <http://www.w3.org/1999/02/22-rdf-syntax-ns#type> <http://purl.org/ontology/bibo/AcademicArticle> . <https://discovery.ucl.ac.uk/id/eprint/1415892> <http://www.w3.org/1999/02/22-rdf-syntax-ns#type> <http://purl.org/ontology/bibo/Article> . <https://discovery.ucl.ac.uk/id/eprint/1415892> <http://purl.org/dc/terms/title> "Melting curve of face-centered-cubic nickel from first-principles calculations"^^<http://www.w3.org/2001/XMLSchema#string> . <https://discovery.ucl.ac.uk/id/eprint/1415892> <http://purl.org/ontology/bibo/abstract> "The melting curve of Ni up to 100 GPa has been calculated using first-principles methods based on density functional theory (DFT). We used two complementary approaches: (i) coexistence simulations with a reference system and then free-energy corrections between DFT and the reference system, and (ii) direct DFT coexistence using simulation cells including 1000 atoms. The calculated zero pressure melting temperature is slightly underestimated at 1637±10 K (experimental value is 1728 K), and at high pressure is significantly higher than recent measurements in diamond-anvil cell experiments [ Phys. Rev. B 87 054108 (2013)]. The zero pressure DFT melting slope is calculated to be 30±2 K, in good agreement with the experimental value of 28 K."^^<http://www.w3.org/2001/XMLSchema#string> . <https://discovery.ucl.ac.uk/id/eprint/1415892> <http://purl.org/dc/terms/date> "2013-07-17" . <https://discovery.ucl.ac.uk/id/document/50427> <http://www.w3.org/1999/02/22-rdf-syntax-ns#type> <http://purl.org/ontology/bibo/Document> . <https://discovery.ucl.ac.uk/id/eprint/1415892> <http://purl.org/ontology/bibo/volume> "88" . <https://discovery.ucl.ac.uk/id/eprint/1415892> <http://purl.org/ontology/bibo/issue> "2" . <https://discovery.ucl.ac.uk/id/publication/ext-10980121> <http://www.w3.org/1999/02/22-rdf-syntax-ns#type> <http://purl.org/ontology/bibo/Collection> . <https://discovery.ucl.ac.uk/id/publication/ext-10980121> <http://xmlns.com/foaf/0.1/name> "Physical Review B"^^<http://www.w3.org/2001/XMLSchema#string> . <https://discovery.ucl.ac.uk/id/eprint/1415892> <http://purl.org/dc/terms/isPartOf> <https://discovery.ucl.ac.uk/id/publication/ext-10980121> . <https://discovery.ucl.ac.uk/id/publication/ext-10980121> <http://www.w3.org/2002/07/owl#sameAs> <urn:issn:10980121> . <https://discovery.ucl.ac.uk/id/publication/ext-10980121> <http://purl.org/ontology/bibo/issn> "10980121" . <https://discovery.ucl.ac.uk/id/eprint/1415892> <http://purl.org/ontology/bibo/status> <http://purl.org/ontology/bibo/status/published> . <https://discovery.ucl.ac.uk/id/eprint/1415892> <http://purl.org/dc/terms/creator> <https://discovery.ucl.ac.uk/id/person/ext-5264c2b9e40b1c593af24d697f232a82> . <https://discovery.ucl.ac.uk/id/eprint/1415892> <http://purl.org/ontology/bibo/authorList> <https://discovery.ucl.ac.uk/id/eprint/1415892#authors> . <https://discovery.ucl.ac.uk/id/eprint/1415892#authors> <http://www.w3.org/1999/02/22-rdf-syntax-ns#_1> <https://discovery.ucl.ac.uk/id/person/ext-5264c2b9e40b1c593af24d697f232a82> . <https://discovery.ucl.ac.uk/id/eprint/1415892> <http://purl.org/dc/terms/creator> <https://discovery.ucl.ac.uk/id/person/ext-237f037bdaede07dd602df1bed585e9a> . <https://discovery.ucl.ac.uk/id/eprint/1415892> <http://purl.org/ontology/bibo/authorList> <https://discovery.ucl.ac.uk/id/eprint/1415892#authors> . <https://discovery.ucl.ac.uk/id/eprint/1415892#authors> <http://www.w3.org/1999/02/22-rdf-syntax-ns#_2> <https://discovery.ucl.ac.uk/id/person/ext-237f037bdaede07dd602df1bed585e9a> . <https://discovery.ucl.ac.uk/id/person/ext-5264c2b9e40b1c593af24d697f232a82> <http://www.w3.org/1999/02/22-rdf-syntax-ns#type> <http://xmlns.com/foaf/0.1/Person> . <https://discovery.ucl.ac.uk/id/person/ext-5264c2b9e40b1c593af24d697f232a82> <http://xmlns.com/foaf/0.1/givenName> "M"^^<http://www.w3.org/2001/XMLSchema#string> . <https://discovery.ucl.ac.uk/id/person/ext-5264c2b9e40b1c593af24d697f232a82> <http://xmlns.com/foaf/0.1/familyName> "Pozzo"^^<http://www.w3.org/2001/XMLSchema#string> . <https://discovery.ucl.ac.uk/id/person/ext-5264c2b9e40b1c593af24d697f232a82> <http://xmlns.com/foaf/0.1/name> "M Pozzo"^^<http://www.w3.org/2001/XMLSchema#string> . <https://discovery.ucl.ac.uk/id/person/ext-237f037bdaede07dd602df1bed585e9a> <http://www.w3.org/1999/02/22-rdf-syntax-ns#type> <http://xmlns.com/foaf/0.1/Person> . <https://discovery.ucl.ac.uk/id/person/ext-237f037bdaede07dd602df1bed585e9a> <http://xmlns.com/foaf/0.1/givenName> "D"^^<http://www.w3.org/2001/XMLSchema#string> . <https://discovery.ucl.ac.uk/id/person/ext-237f037bdaede07dd602df1bed585e9a> <http://xmlns.com/foaf/0.1/familyName> "Alfe"^^<http://www.w3.org/2001/XMLSchema#string> . <https://discovery.ucl.ac.uk/id/person/ext-237f037bdaede07dd602df1bed585e9a> <http://xmlns.com/foaf/0.1/name> "D Alfe"^^<http://www.w3.org/2001/XMLSchema#string> . <https://discovery.ucl.ac.uk/id/eprint/1415892> <http://www.w3.org/1999/02/22-rdf-syntax-ns#type> <http://eprints.org/ontology/EPrint> . <https://discovery.ucl.ac.uk/id/eprint/1415892> <http://www.w3.org/1999/02/22-rdf-syntax-ns#type> <http://eprints.org/ontology/ArticleEPrint> . <https://discovery.ucl.ac.uk/id/eprint/1415892> <http://purl.org/dc/terms/isPartOf> <https://discovery.ucl.ac.uk/id/repository> . <https://discovery.ucl.ac.uk/id/eprint/1415892> <http://eprints.org/ontology/hasDocument> <https://discovery.ucl.ac.uk/id/document/50427> . <https://discovery.ucl.ac.uk/id/document/50427> <http://www.w3.org/1999/02/22-rdf-syntax-ns#type> <http://eprints.org/ontology/Document> . <https://discovery.ucl.ac.uk/id/document/50427> <http://www.w3.org/2000/01/rdf-schema#label> "Melting curve of face-centered-cubic nickel from first-principles calculations (PDF)"^^<http://www.w3.org/2001/XMLSchema#string> . <https://discovery.ucl.ac.uk/id/document/50427> <http://eprints.org/ontology/hasFile> <https://discovery.ucl.ac.uk/id/eprint/1415892/1/PhysRevB.88.024111.pdf> . <https://discovery.ucl.ac.uk/id/document/50427> 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