{"data":{"id":"10.6084/m9.figshare.6693446","type":"dois","attributes":{"doi":"10.6084/m9.figshare.6693446","prefix":"10.6084","suffix":"m9.figshare.6693446","identifiers":[],"alternateIdentifiers":[],"creators":[{"name":"Gibala, Ronald","nameType":"Personal","givenName":"Ronald","familyName":"Gibala","affiliation":[],"nameIdentifiers":[]},{"name":"Counts, William Arthur","nameType":"Personal","givenName":"William Arthur","familyName":"Counts","affiliation":[],"nameIdentifiers":[]},{"name":"Wolverton, Christopher","nameType":"Personal","givenName":"Christopher","familyName":"Wolverton","affiliation":[],"nameIdentifiers":[]}],"titles":[{"title":"The Hydrogen Cold Work Peak in BCC Iron: Revisited, with First Principles Calculations and Implications for Hydrogen Embrittlement"}],"publisher":"SciELO journals","container":{},"publicationYear":2018,"subjects":[{"subject":"90499 Chemical Engineering not elsewhere classified","subjectScheme":"FOR"},{"subject":"FOS: Chemical engineering","schemeUri":"http://www.oecd.org/science/inno/38235147.pdf","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"FOS: Chemical engineering","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"91207 Metals and Alloy Materials","subjectScheme":"FOR"},{"subject":"FOS: Materials engineering","schemeUri":"http://www.oecd.org/science/inno/38235147.pdf","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"FOS: Materials engineering","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"91299 Materials Engineering not elsewhere classified","subjectScheme":"FOR"}],"contributors":[],"dates":[{"date":"2018-06-27","dateType":"Created"},{"date":"2018-06-27","dateType":"Updated"},{"date":"2018","dateType":"Issued"}],"language":null,"types":{"ris":"DATA","bibtex":"misc","citeproc":"dataset","schemaOrg":"Dataset","resourceType":"Dataset","resourceTypeGeneral":"Dataset"},"relatedIdentifiers":[{"relationType":"IsSupplementTo","relatedIdentifier":"10.1590/1980-5373-mr-2017-0868","relatedIdentifierType":"DOI"}],"relatedItems":[],"sizes":["844486 Bytes"],"formats":[],"version":null,"rightsList":[{"rights":"Creative Commons Attribution 4.0 International","rightsUri":"https://creativecommons.org/licenses/by/4.0/legalcode","schemeUri":"https://spdx.org/licenses/","rightsIdentifier":"cc-by-4.0","rightsIdentifierScheme":"SPDX"}],"descriptions":[{"description":"We examine experimental and theoretical results on the cold-work (Snoek-Köster) peak in bcc Fe due to H using density functional theory (DFT). We reaffirm that Seeger’s interpretation of the H cold-work peak (Hcwp), involving motion of H with kinks on non-screw dislocations associated with the intrinsic-dislocation α peak, has experimental backing. Use of the solute-dragging theory of Schoeck suggests a H-mixed dislocation binding energy of 0.3 eV. The theory of Hirth, that the Hcwp involves H-screw dislocation interaction manifested as the temperature-reduced intrinsic-dislocation γ peak by the presence of H, has merit in that our DFT calculations disclose a similar magnitude, 0.2 eV, of H-screw dislocation binding. This result offers support for models of H-enhanced localized plasticity of H embrittlement. We also explore possible roles of H-vacancy binding, shown by DFT to be characterized by a binding energy of 0.6 eV, in H trapping and H embrittlement and lesser effects of H-solute binding involving small binding energies of ~ 0.1 eV.","descriptionType":"Abstract"}],"geoLocations":[],"fundingReferences":[],"xml":"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","url":"https://scielo.figshare.com/articles/The_Hydrogen_Cold_Work_Peak_in_BCC_Iron_Revisited_with_First_Principles_Calculations_and_Implications_for_Hydrogen_Embrittlement/6693446","contentUrl":null,"metadataVersion":2,"schemaVersion":"http://datacite.org/schema/kernel-4","source":"mds","isActive":true,"state":"findable","reason":null,"viewCount":0,"viewsOverTime":[],"downloadCount":0,"downloadsOverTime":[],"referenceCount":1,"citationCount":0,"citationsOverTime":[],"partCount":0,"partOfCount":0,"versionCount":0,"versionOfCount":0,"created":"2018-06-27T02:43:33.000Z","registered":"2018-06-27T02:43:33.000Z","published":"2018","updated":"2020-08-28T22:46:43.000Z"},"relationships":{"client":{"da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