Matches in SemOpenAlex for { <https://semopenalex.org/work/W2014804207> ?p ?o ?g. }
- W2014804207 abstract "A rigorous theory of liquid-crystal transitions is developed starting from the Liouville equation. The starting point is an all-atom description and a set of order parameter field variables that are shown to evolve slowly via Newton's equations. The separation of timescales between that of atomic collisions and the order parameter fields enables the derivation of rigorous equations for stochastic order parameter field dynamics. When the fields provide a measure of the spatial profile of the probability of molecular position, orientation, and internal structure, a theory of liquid-crystal transitions emerges. The theory uses the all-atom/continuum approach developed earlier to obtain a functional generalization of the Smoluchowski equation wherein key atomic details are embedded. The equivalent non-local Langevin equations are derived and computational aspects are discussed. The theory enables simulations that are much less computationally intensive than molecular dynamics and thus does not require oversimplification of the system's constituent components. The equations obtained do not include factors that require calibration and can thus be applicable to various phase transitions which overcomes the limitations of phenomenological field models. The relation of the theory to phenomenological descriptions of Nematic and Smectic phase transitions, and the possible existence of other types of transitions involving intermolecular structural parameters are discussed." @default.
- W2014804207 created "2016-06-24" @default.
- W2014804207 creator A5025331603 @default.
- W2014804207 creator A5036033406 @default.
- W2014804207 creator A5043137910 @default.
- W2014804207 date "2009-09-10" @default.
- W2014804207 modified "2023-09-24" @default.
- W2014804207 title "Liquid-crystal transitions: A first-principles multiscale approach" @default.
- W2014804207 cites W196443381 @default.
- W2014804207 cites W1969718382 @default.
- W2014804207 cites W1970127243 @default.
- W2014804207 cites W1972280558 @default.
- W2014804207 cites W1977695418 @default.
- W2014804207 cites W1980234568 @default.
- W2014804207 cites W1986904270 @default.
- W2014804207 cites W1986975457 @default.
- W2014804207 cites W1991259159 @default.
- W2014804207 cites W1999138060 @default.
- W2014804207 cites W2012654389 @default.
- W2014804207 cites W2016101525 @default.
- W2014804207 cites W2016600861 @default.
- W2014804207 cites W2019078907 @default.
- W2014804207 cites W2022401457 @default.
- W2014804207 cites W2026092362 @default.
- W2014804207 cites W2027122845 @default.
- W2014804207 cites W2047408278 @default.
- W2014804207 cites W2050113551 @default.
- W2014804207 cites W2059332569 @default.
- W2014804207 cites W2061308254 @default.
- W2014804207 cites W2062894679 @default.
- W2014804207 cites W2078253946 @default.
- W2014804207 cites W2083357056 @default.
- W2014804207 cites W2095132758 @default.
- W2014804207 cites W2115510168 @default.
- W2014804207 cites W2122303070 @default.
- W2014804207 cites W2145763176 @default.
- W2014804207 cites W2162225616 @default.
- W2014804207 cites W2162488624 @default.
- W2014804207 cites W3099384820 @default.
- W2014804207 cites W4236599662 @default.
- W2014804207 cites W4253191191 @default.
- W2014804207 doi "https://doi.org/10.1103/physreve.80.031703" @default.
- W2014804207 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/19905127" @default.
- W2014804207 hasPublicationYear "2009" @default.
- W2014804207 type Work @default.
- W2014804207 sameAs 2014804207 @default.
- W2014804207 citedByCount "16" @default.
- W2014804207 countsByYear W20148042072012 @default.
- W2014804207 countsByYear W20148042072013 @default.
- W2014804207 countsByYear W20148042072014 @default.
- W2014804207 countsByYear W20148042072015 @default.
- W2014804207 countsByYear W20148042072017 @default.
- W2014804207 countsByYear W20148042072018 @default.
- W2014804207 countsByYear W20148042072020 @default.
- W2014804207 crossrefType "journal-article" @default.
- W2014804207 hasAuthorship W2014804207A5025331603 @default.
- W2014804207 hasAuthorship W2014804207A5036033406 @default.
- W2014804207 hasAuthorship W2014804207A5043137910 @default.
- W2014804207 hasBestOaLocation W20148042072 @default.
- W2014804207 hasConcept C120665830 @default.
- W2014804207 hasConcept C121332964 @default.
- W2014804207 hasConcept C121864883 @default.
- W2014804207 hasConcept C13274807 @default.
- W2014804207 hasConcept C134306372 @default.
- W2014804207 hasConcept C143002175 @default.
- W2014804207 hasConcept C149288129 @default.
- W2014804207 hasConcept C166950319 @default.
- W2014804207 hasConcept C177148314 @default.
- W2014804207 hasConcept C202444582 @default.
- W2014804207 hasConcept C32909587 @default.
- W2014804207 hasConcept C33923547 @default.
- W2014804207 hasConcept C62520636 @default.
- W2014804207 hasConcept C74650414 @default.
- W2014804207 hasConcept C9652623 @default.
- W2014804207 hasConceptScore W2014804207C120665830 @default.
- W2014804207 hasConceptScore W2014804207C121332964 @default.
- W2014804207 hasConceptScore W2014804207C121864883 @default.
- W2014804207 hasConceptScore W2014804207C13274807 @default.
- W2014804207 hasConceptScore W2014804207C134306372 @default.
- W2014804207 hasConceptScore W2014804207C143002175 @default.
- W2014804207 hasConceptScore W2014804207C149288129 @default.
- W2014804207 hasConceptScore W2014804207C166950319 @default.
- W2014804207 hasConceptScore W2014804207C177148314 @default.
- W2014804207 hasConceptScore W2014804207C202444582 @default.
- W2014804207 hasConceptScore W2014804207C32909587 @default.
- W2014804207 hasConceptScore W2014804207C33923547 @default.
- W2014804207 hasConceptScore W2014804207C62520636 @default.
- W2014804207 hasConceptScore W2014804207C74650414 @default.
- W2014804207 hasConceptScore W2014804207C9652623 @default.
- W2014804207 hasIssue "3" @default.
- W2014804207 hasLocation W20148042071 @default.
- W2014804207 hasLocation W20148042072 @default.
- W2014804207 hasLocation W20148042073 @default.
- W2014804207 hasLocation W20148042074 @default.
- W2014804207 hasOpenAccess W2014804207 @default.
- W2014804207 hasPrimaryLocation W20148042071 @default.
- W2014804207 hasRelatedWork W1984034223 @default.
- W2014804207 hasRelatedWork W2033928191 @default.
- W2014804207 hasRelatedWork W2043807079 @default.
- W2014804207 hasRelatedWork W2043930649 @default.