Matches in SemOpenAlex for { <https://semopenalex.org/work/W3207812703> ?p ?o ?g. }
Showing items 1 to 65 of
65
with 100 items per page.
- W3207812703 abstract "For classical discrete systems under constant composition typically refferred to substitutional alloys, we propose calculation method of Helmholtz free energy based on a set of special microscopic states. The advantage of the method is that configuration of the special states are essentially independent of energy and temperature, and they depend only on underlying lattice: The special states can be known a priori without any thermodynamic information, enabling systematic prediction of free energy for multicomponent alloys. We confirm that by comparing to conventional thermodynamic simulation, information about the special states provide reasonable predictive power above order-disorder and phase-separating transition temperature for alloys with many-body (up to 3-body) interactions." @default.
- W3207812703 created "2021-10-25" @default.
- W3207812703 creator A5027613620 @default.
- W3207812703 creator A5050657025 @default.
- W3207812703 creator A5090048793 @default.
- W3207812703 date "2021-10-20" @default.
- W3207812703 modified "2023-10-14" @default.
- W3207812703 title "Efficient, Systematic Estimation of Alloy Free Energy from Special Microscopic States" @default.
- W3207812703 doi "https://doi.org/10.48550/arxiv.2110.10839" @default.
- W3207812703 hasPublicationYear "2021" @default.
- W3207812703 type Work @default.
- W3207812703 sameAs 3207812703 @default.
- W3207812703 citedByCount "0" @default.
- W3207812703 crossrefType "posted-content" @default.
- W3207812703 hasAuthorship W3207812703A5027613620 @default.
- W3207812703 hasAuthorship W3207812703A5050657025 @default.
- W3207812703 hasAuthorship W3207812703A5090048793 @default.
- W3207812703 hasBestOaLocation W32078127031 @default.
- W3207812703 hasConcept C111472728 @default.
- W3207812703 hasConcept C121332964 @default.
- W3207812703 hasConcept C121864883 @default.
- W3207812703 hasConcept C138885662 @default.
- W3207812703 hasConcept C149288129 @default.
- W3207812703 hasConcept C186370098 @default.
- W3207812703 hasConcept C191897082 @default.
- W3207812703 hasConcept C192562407 @default.
- W3207812703 hasConcept C24890656 @default.
- W3207812703 hasConcept C27592594 @default.
- W3207812703 hasConcept C2780026712 @default.
- W3207812703 hasConcept C2781204021 @default.
- W3207812703 hasConcept C62520636 @default.
- W3207812703 hasConcept C75553542 @default.
- W3207812703 hasConcept C97355855 @default.
- W3207812703 hasConceptScore W3207812703C111472728 @default.
- W3207812703 hasConceptScore W3207812703C121332964 @default.
- W3207812703 hasConceptScore W3207812703C121864883 @default.
- W3207812703 hasConceptScore W3207812703C138885662 @default.
- W3207812703 hasConceptScore W3207812703C149288129 @default.
- W3207812703 hasConceptScore W3207812703C186370098 @default.
- W3207812703 hasConceptScore W3207812703C191897082 @default.
- W3207812703 hasConceptScore W3207812703C192562407 @default.
- W3207812703 hasConceptScore W3207812703C24890656 @default.
- W3207812703 hasConceptScore W3207812703C27592594 @default.
- W3207812703 hasConceptScore W3207812703C2780026712 @default.
- W3207812703 hasConceptScore W3207812703C2781204021 @default.
- W3207812703 hasConceptScore W3207812703C62520636 @default.
- W3207812703 hasConceptScore W3207812703C75553542 @default.
- W3207812703 hasConceptScore W3207812703C97355855 @default.
- W3207812703 hasLocation W32078127031 @default.
- W3207812703 hasOpenAccess W3207812703 @default.
- W3207812703 hasPrimaryLocation W32078127031 @default.
- W3207812703 hasRelatedWork W1991986159 @default.
- W3207812703 hasRelatedWork W2031731924 @default.
- W3207812703 hasRelatedWork W2032967918 @default.
- W3207812703 hasRelatedWork W2089251307 @default.
- W3207812703 hasRelatedWork W2095808657 @default.
- W3207812703 hasRelatedWork W2144155143 @default.
- W3207812703 hasRelatedWork W2963177834 @default.
- W3207812703 hasRelatedWork W2996358649 @default.
- W3207812703 hasRelatedWork W3145991592 @default.
- W3207812703 hasRelatedWork W4297580994 @default.
- W3207812703 isParatext "false" @default.
- W3207812703 isRetracted "false" @default.
- W3207812703 magId "3207812703" @default.
- W3207812703 workType "article" @default.