FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1970378001> ?p ?o ?g. }

• W1970378001 endingPage "7571" @default.
• W1970378001 startingPage "7564" @default.
• W1970378001 abstract "Predicting the properties of nonequilibrium systems from molecular simulations is a growing area of interest. One important class of problems involves steady-state diffusion. To study these cases, a grand canonical molecular dynamics approach has been developed by Heffelfinger and van Swol [J. Chem. Phys. 101, 5274 (1994)]. With this method, the flux of particles, the chemical potential gradients, and density gradients can all be measured in the simulation. In this paper, we present a complementary approach that couples a nonlocal density functional theory (DFT) with a transport equation describing steady-state flux of the particles. We compare transport-DFT predictions to GCMD results for a variety of ideal (color diffusion), and nonideal (uphill diffusion and convective transport) systems. In all cases, excellent agreement between transport-DFT and GCMD calculations is obtained with diffusion coefficients that are invariant with respect to density and external fields." @default.
• W1970378001 created "2016-06-24" @default.
• W1970378001 creator A5058200721 @default.
• W1970378001 creator A5063635634 @default.
• W1970378001 creator A5072573244 @default.
• W1970378001 date "2000-05-01" @default.
• W1970378001 modified "2023-09-27" @default.
• W1970378001 title "Applying molecular theory to steady-state diffusing systems" @default.
• W1970378001 cites W1845618662 @default.
• W1970378001 cites W1968012572 @default.
• W1970378001 cites W1970158816 @default.
• W1970378001 cites W1971634284 @default.
• W1970378001 cites W1972270832 @default.
• W1970378001 cites W1972345042 @default.
• W1970378001 cites W1975345869 @default.
• W1970378001 cites W1981647226 @default.
• W1970378001 cites W1982784903 @default.
• W1970378001 cites W1992037331 @default.
• W1970378001 cites W1994765267 @default.
• W1970378001 cites W2015178329 @default.
• W1970378001 cites W2024036701 @default.
• W1970378001 cites W2032879813 @default.
• W1970378001 cites W2036441926 @default.
• W1970378001 cites W2039833680 @default.
• W1970378001 cites W2046778474 @default.
• W1970378001 cites W2056293512 @default.
• W1970378001 cites W2057400401 @default.
• W1970378001 cites W2075632751 @default.
• W1970378001 cites W2080402433 @default.
• W1970378001 cites W2081894522 @default.
• W1970378001 cites W2090697769 @default.
• W1970378001 cites W2139620691 @default.
• W1970378001 cites W4236053091 @default.
• W1970378001 cites W4248788323 @default.
• W1970378001 doi "https://doi.org/10.1063/1.481376" @default.
• W1970378001 hasPublicationYear "2000" @default.
• W1970378001 type Work @default.
• W1970378001 sameAs 1970378001 @default.
• W1970378001 citedByCount "21" @default.
• W1970378001 countsByYear W19703780012012 @default.
• W1970378001 countsByYear W19703780012016 @default.
• W1970378001 countsByYear W19703780012017 @default.
• W1970378001 crossrefType "journal-article" @default.
• W1970378001 hasAuthorship W1970378001A5058200721 @default.
• W1970378001 hasAuthorship W1970378001A5063635634 @default.
• W1970378001 hasAuthorship W1970378001A5072573244 @default.
• W1970378001 hasConcept C10899652 @default.
• W1970378001 hasConcept C121332964 @default.
• W1970378001 hasConcept C121864883 @default.
• W1970378001 hasConcept C147597530 @default.
• W1970378001 hasConcept C147789679 @default.
• W1970378001 hasConcept C152365726 @default.
• W1970378001 hasConcept C159467904 @default.
• W1970378001 hasConcept C162324750 @default.
• W1970378001 hasConcept C17456955 @default.
• W1970378001 hasConcept C176217482 @default.
• W1970378001 hasConcept C185592680 @default.
• W1970378001 hasConcept C21547014 @default.
• W1970378001 hasConcept C57736034 @default.
• W1970378001 hasConcept C59593255 @default.
• W1970378001 hasConcept C69357855 @default.
• W1970378001 hasConcept C74859849 @default.
• W1970378001 hasConcept C8171440 @default.
• W1970378001 hasConcept C92718894 @default.
• W1970378001 hasConcept C97355855 @default.
• W1970378001 hasConceptScore W1970378001C10899652 @default.
• W1970378001 hasConceptScore W1970378001C121332964 @default.
• W1970378001 hasConceptScore W1970378001C121864883 @default.
• W1970378001 hasConceptScore W1970378001C147597530 @default.
• W1970378001 hasConceptScore W1970378001C147789679 @default.
• W1970378001 hasConceptScore W1970378001C152365726 @default.
• W1970378001 hasConceptScore W1970378001C159467904 @default.
• W1970378001 hasConceptScore W1970378001C162324750 @default.
• W1970378001 hasConceptScore W1970378001C17456955 @default.
• W1970378001 hasConceptScore W1970378001C176217482 @default.
• W1970378001 hasConceptScore W1970378001C185592680 @default.
• W1970378001 hasConceptScore W1970378001C21547014 @default.
• W1970378001 hasConceptScore W1970378001C57736034 @default.
• W1970378001 hasConceptScore W1970378001C59593255 @default.
• W1970378001 hasConceptScore W1970378001C69357855 @default.
• W1970378001 hasConceptScore W1970378001C74859849 @default.
• W1970378001 hasConceptScore W1970378001C8171440 @default.
• W1970378001 hasConceptScore W1970378001C92718894 @default.
• W1970378001 hasConceptScore W1970378001C97355855 @default.
• W1970378001 hasIssue "17" @default.
• W1970378001 hasLocation W19703780011 @default.
• W1970378001 hasOpenAccess W1970378001 @default.
• W1970378001 hasPrimaryLocation W19703780011 @default.
• W1970378001 hasRelatedWork W1610849092 @default.
• W1970378001 hasRelatedWork W2032151435 @default.
• W1970378001 hasRelatedWork W2068452861 @default.
• W1970378001 hasRelatedWork W2074847124 @default.
• W1970378001 hasRelatedWork W2080402433 @default.
• W1970378001 hasRelatedWork W2396237239 @default.
• W1970378001 hasRelatedWork W2809549133 @default.
• W1970378001 hasRelatedWork W2898285107 @default.
• W1970378001 hasRelatedWork W3105387127 @default.
• W1970378001 hasRelatedWork W4280535681 @default.

• next