Matches in SemOpenAlex for { <https://semopenalex.org/work/W599500802> ?p ?o ?g. }
Showing items 1 to 93 of
93
with 100 items per page.
- W599500802 abstract "Diffusive molecular dynamics is a novel model for materials with atomistic resolution that can reach diffusive time scales. The main ideas of diffusive molecular dynamics are to first minimize an approximate variational Gaussian free energy of the system with respect to the mean atomic coordinates (averaging over many vibrational periods), and to then to perform a diffusive step where atoms and vacancies (or two species in a binary alloy) flow on a diffusive time scale via a master equation. We present a mathematical framework for studying this algorithm based upon relative entropy, or Kullback-Leibler divergence. This adds flexibility in how the algorithm is implemented and interpreted. We then compare our formulation, relying on relative entropy and absolute continuity of measures, to existing formulations. The main difference amongst the equations appears in a model for vacancy diffusion, where additional entropic terms appear in our development." @default.
- W599500802 created "2016-06-24" @default.
- W599500802 creator A5007235018 @default.
- W599500802 creator A5036018970 @default.
- W599500802 creator A5068911239 @default.
- W599500802 date "2015-06-08" @default.
- W599500802 modified "2023-09-27" @default.
- W599500802 title "A Theoretical Examination of Diffusive Molecular Dynamics" @default.
- W599500802 cites W1973816063 @default.
- W599500802 cites W1975736346 @default.
- W599500802 cites W1977563461 @default.
- W599500802 cites W1980672660 @default.
- W599500802 cites W1990593157 @default.
- W599500802 cites W1997397055 @default.
- W599500802 cites W1999522888 @default.
- W599500802 cites W2000377910 @default.
- W599500802 cites W2006335602 @default.
- W599500802 cites W2007360367 @default.
- W599500802 cites W2032916024 @default.
- W599500802 cites W2033585740 @default.
- W599500802 cites W2039631289 @default.
- W599500802 cites W2046673114 @default.
- W599500802 cites W2049331633 @default.
- W599500802 cites W2053087016 @default.
- W599500802 cites W2060174126 @default.
- W599500802 cites W2104034321 @default.
- W599500802 cites W2107952203 @default.
- W599500802 cites W2963324644 @default.
- W599500802 hasPublicationYear "2015" @default.
- W599500802 type Work @default.
- W599500802 sameAs 599500802 @default.
- W599500802 citedByCount "0" @default.
- W599500802 crossrefType "posted-content" @default.
- W599500802 hasAuthorship W599500802A5007235018 @default.
- W599500802 hasAuthorship W599500802A5036018970 @default.
- W599500802 hasAuthorship W599500802A5068911239 @default.
- W599500802 hasConcept C105795698 @default.
- W599500802 hasConcept C106301342 @default.
- W599500802 hasConcept C121332964 @default.
- W599500802 hasConcept C121864883 @default.
- W599500802 hasConcept C138885662 @default.
- W599500802 hasConcept C163716315 @default.
- W599500802 hasConcept C171752962 @default.
- W599500802 hasConcept C207390915 @default.
- W599500802 hasConcept C33923547 @default.
- W599500802 hasConcept C41895202 @default.
- W599500802 hasConcept C48372109 @default.
- W599500802 hasConcept C59593255 @default.
- W599500802 hasConcept C62520636 @default.
- W599500802 hasConcept C94375191 @default.
- W599500802 hasConcept C97355855 @default.
- W599500802 hasConceptScore W599500802C105795698 @default.
- W599500802 hasConceptScore W599500802C106301342 @default.
- W599500802 hasConceptScore W599500802C121332964 @default.
- W599500802 hasConceptScore W599500802C121864883 @default.
- W599500802 hasConceptScore W599500802C138885662 @default.
- W599500802 hasConceptScore W599500802C163716315 @default.
- W599500802 hasConceptScore W599500802C171752962 @default.
- W599500802 hasConceptScore W599500802C207390915 @default.
- W599500802 hasConceptScore W599500802C33923547 @default.
- W599500802 hasConceptScore W599500802C41895202 @default.
- W599500802 hasConceptScore W599500802C48372109 @default.
- W599500802 hasConceptScore W599500802C59593255 @default.
- W599500802 hasConceptScore W599500802C62520636 @default.
- W599500802 hasConceptScore W599500802C94375191 @default.
- W599500802 hasConceptScore W599500802C97355855 @default.
- W599500802 hasLocation W5995008021 @default.
- W599500802 hasOpenAccess W599500802 @default.
- W599500802 hasPrimaryLocation W5995008021 @default.
- W599500802 hasRelatedWork W1501501128 @default.
- W599500802 hasRelatedWork W1551000618 @default.
- W599500802 hasRelatedWork W1666437463 @default.
- W599500802 hasRelatedWork W1965783834 @default.
- W599500802 hasRelatedWork W2030079594 @default.
- W599500802 hasRelatedWork W2040544435 @default.
- W599500802 hasRelatedWork W2049331633 @default.
- W599500802 hasRelatedWork W2062277796 @default.
- W599500802 hasRelatedWork W2068511532 @default.
- W599500802 hasRelatedWork W2155131711 @default.
- W599500802 hasRelatedWork W2212271535 @default.
- W599500802 hasRelatedWork W2522445766 @default.
- W599500802 hasRelatedWork W2600891644 @default.
- W599500802 hasRelatedWork W2963133235 @default.
- W599500802 hasRelatedWork W3102923280 @default.
- W599500802 hasRelatedWork W3104006204 @default.
- W599500802 hasRelatedWork W3141560361 @default.
- W599500802 hasRelatedWork W826831528 @default.
- W599500802 hasRelatedWork W1648815760 @default.
- W599500802 hasRelatedWork W1685445019 @default.
- W599500802 isParatext "false" @default.
- W599500802 isRetracted "false" @default.
- W599500802 magId "599500802" @default.
- W599500802 workType "article" @default.