Matches in SemOpenAlex for { <https://semopenalex.org/work/W2086804535> ?p ?o ?g. }
Showing items 1 to 84 of
84
with 100 items per page.
- W2086804535 endingPage "5075" @default.
- W2086804535 startingPage "5070" @default.
- W2086804535 abstract "Using the self-diffusion as an example, we present a novel molecular dynamics method which fixes a transport property of the system to a prescribed value. We discuss the technical realization of the algorithm for this history dependent property. Owing to the monotonic temperature vs self-diffusion relationship for a given model substance at fixed density the system automatically chooses that temperature which corresponds to the input value of the self-diffusion coefficient. In principle, this approach can be applied to other transport coefficients too. In practice, however, the numerical calculation of transport properties expressed by the collective dynamics of particles is very time consuming from equilibrium molecular dynamics simulation. Our method being an equivalent of the Green–Kubo integral also performs poorly compared to nonequilibrium molecular dynamics techniques. We present details and results of model calculations for these two transport processes." @default.
- W2086804535 created "2016-06-24" @default.
- W2086804535 creator A5080918910 @default.
- W2086804535 date "1994-09-15" @default.
- W2086804535 modified "2023-10-16" @default.
- W2086804535 title "Calculation of transport properties from molecular dynamics simulation" @default.
- W2086804535 cites W1668732012 @default.
- W2086804535 cites W1985272737 @default.
- W2086804535 cites W1991794210 @default.
- W2086804535 cites W2005241888 @default.
- W2086804535 cites W2018763953 @default.
- W2086804535 cites W2041638382 @default.
- W2086804535 cites W2050818530 @default.
- W2086804535 cites W2076475989 @default.
- W2086804535 cites W2146462263 @default.
- W2086804535 cites W2164799663 @default.
- W2086804535 doi "https://doi.org/10.1063/1.467363" @default.
- W2086804535 hasPublicationYear "1994" @default.
- W2086804535 type Work @default.
- W2086804535 sameAs 2086804535 @default.
- W2086804535 citedByCount "8" @default.
- W2086804535 countsByYear W20868045352012 @default.
- W2086804535 countsByYear W20868045352016 @default.
- W2086804535 countsByYear W20868045352017 @default.
- W2086804535 countsByYear W20868045352021 @default.
- W2086804535 crossrefType "journal-article" @default.
- W2086804535 hasAuthorship W2086804535A5080918910 @default.
- W2086804535 hasConcept C105795698 @default.
- W2086804535 hasConcept C121332964 @default.
- W2086804535 hasConcept C121864883 @default.
- W2086804535 hasConcept C134306372 @default.
- W2086804535 hasConcept C147597530 @default.
- W2086804535 hasConcept C185592680 @default.
- W2086804535 hasConcept C192239200 @default.
- W2086804535 hasConcept C2775906791 @default.
- W2086804535 hasConcept C2781089630 @default.
- W2086804535 hasConcept C33923547 @default.
- W2086804535 hasConcept C38652104 @default.
- W2086804535 hasConcept C41008148 @default.
- W2086804535 hasConcept C59593255 @default.
- W2086804535 hasConcept C69357855 @default.
- W2086804535 hasConcept C72169020 @default.
- W2086804535 hasConcept C74859849 @default.
- W2086804535 hasConcept C92718894 @default.
- W2086804535 hasConcept C97355855 @default.
- W2086804535 hasConceptScore W2086804535C105795698 @default.
- W2086804535 hasConceptScore W2086804535C121332964 @default.
- W2086804535 hasConceptScore W2086804535C121864883 @default.
- W2086804535 hasConceptScore W2086804535C134306372 @default.
- W2086804535 hasConceptScore W2086804535C147597530 @default.
- W2086804535 hasConceptScore W2086804535C185592680 @default.
- W2086804535 hasConceptScore W2086804535C192239200 @default.
- W2086804535 hasConceptScore W2086804535C2775906791 @default.
- W2086804535 hasConceptScore W2086804535C2781089630 @default.
- W2086804535 hasConceptScore W2086804535C33923547 @default.
- W2086804535 hasConceptScore W2086804535C38652104 @default.
- W2086804535 hasConceptScore W2086804535C41008148 @default.
- W2086804535 hasConceptScore W2086804535C59593255 @default.
- W2086804535 hasConceptScore W2086804535C69357855 @default.
- W2086804535 hasConceptScore W2086804535C72169020 @default.
- W2086804535 hasConceptScore W2086804535C74859849 @default.
- W2086804535 hasConceptScore W2086804535C92718894 @default.
- W2086804535 hasConceptScore W2086804535C97355855 @default.
- W2086804535 hasIssue "6" @default.
- W2086804535 hasLocation W20868045351 @default.
- W2086804535 hasOpenAccess W2086804535 @default.
- W2086804535 hasPrimaryLocation W20868045351 @default.
- W2086804535 hasRelatedWork W1967152288 @default.
- W2086804535 hasRelatedWork W1971992730 @default.
- W2086804535 hasRelatedWork W1994726060 @default.
- W2086804535 hasRelatedWork W2000935229 @default.
- W2086804535 hasRelatedWork W2009816737 @default.
- W2086804535 hasRelatedWork W2068452861 @default.
- W2086804535 hasRelatedWork W2086804535 @default.
- W2086804535 hasRelatedWork W2090551774 @default.
- W2086804535 hasRelatedWork W2129203692 @default.
- W2086804535 hasRelatedWork W2757269437 @default.
- W2086804535 hasVolume "101" @default.
- W2086804535 isParatext "false" @default.
- W2086804535 isRetracted "false" @default.
- W2086804535 magId "2086804535" @default.
- W2086804535 workType "article" @default.