FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2079228930> ?p ?o ?g. }

• W2079228930 endingPage "3979" @default.
• W2079228930 startingPage "3967" @default.
• W2079228930 abstract "We examine the performance of various commonly used integration schemes in dissipative particle dynamics simulations. We consider this issue using three different model systems, which characterize a variety of different conditions often studied in simulations. Specifically, we clarify the performance of integration schemes in hybrid models, which combine microscopic and mesoscale descriptions of different particles using both soft and hard interactions. We find that in all three model systems many commonly used integrators may give rise to surprisingly pronounced artifacts in physical observables such as the radial distribution function, the compressibility, and the tracer diffusion coefficient. The artifacts are found to be strongest in systems, where interparticle interactions are soft and predominated by random and dissipative forces, while in systems governed by conservative interactions the artifacts are weaker. Our results suggest that the quality of any integration scheme employed is crucial in all cases where the role of random and dissipative forces is important, including hybrid models where the solvent is described in terms of soft potentials. Regarding the integration schemes, the best overall performance is found for integrators in which the velocity dependence of dissipative forces is taken into account, and particularly good performance is found for an approach in which velocities and dissipative forces are determined self-consistently. Remaining temperature deviations from the desired limit can be corrected by carrying out the self-consistent integration in conjunction with an auxiliary thermostat, in a manner that is similar in spirit to the well-known Nosé–Hoover thermostat. Further, we show that conservative interactions can play a significant role in describing the transport properties of simple fluids, in contrast to approximations often made in deriving analytical theories. In general, our results illustrate the main problems associated with simulation methods in which dissipative forces are velocity dependent, and point to the need to develop new techniques to resolve these issues." @default.
• W2079228930 created "2016-06-24" @default.
• W2079228930 creator A5034852833 @default.
• W2079228930 creator A5039246173 @default.
• W2079228930 creator A5082983574 @default.
• W2079228930 creator A5088288881 @default.
• W2079228930 date "2002-03-08" @default.
• W2079228930 modified "2023-10-18" @default.
• W2079228930 title "Integration schemes for dissipative particle dynamics simulations: From softly interacting systems towards hybrid models" @default.
• W2079228930 cites W1555307352 @default.
• W2079228930 cites W1967187649 @default.
• W2079228930 cites W1976933384 @default.
• W2079228930 cites W1981410769 @default.
• W2079228930 cites W1982787844 @default.
• W2079228930 cites W1988170528 @default.
• W2079228930 cites W2005081609 @default.
• W2079228930 cites W2009005140 @default.
• W2079228930 cites W2013161320 @default.
• W2079228930 cites W2013756607 @default.
• W2079228930 cites W2016895770 @default.
• W2079228930 cites W2020858488 @default.
• W2079228930 cites W2022167638 @default.
• W2079228930 cites W2029175512 @default.
• W2079228930 cites W2030841887 @default.
• W2079228930 cites W2030891958 @default.
• W2079228930 cites W2031086057 @default.
• W2079228930 cites W2032655419 @default.
• W2079228930 cites W2044924027 @default.
• W2079228930 cites W2049536801 @default.
• W2079228930 cites W2051596663 @default.
• W2079228930 cites W2054800985 @default.
• W2079228930 cites W2061848080 @default.
• W2079228930 cites W2069059493 @default.
• W2079228930 cites W2070210194 @default.
• W2079228930 cites W2073492796 @default.
• W2079228930 cites W2079017664 @default.
• W2079228930 cites W2082752515 @default.
• W2079228930 cites W2085282183 @default.
• W2079228930 cites W2093310284 @default.
• W2079228930 cites W2110859765 @default.
• W2079228930 cites W2119950184 @default.
• W2079228930 cites W2137280844 @default.
• W2079228930 cites W2142293622 @default.
• W2079228930 cites W2157387245 @default.
• W2079228930 cites W2170400704 @default.
• W2079228930 cites W2323178299 @default.
• W2079228930 cites W3102534980 @default.
• W2079228930 doi "https://doi.org/10.1063/1.1450554" @default.
• W2079228930 hasPublicationYear "2002" @default.
• W2079228930 type Work @default.
• W2079228930 sameAs 2079228930 @default.
• W2079228930 citedByCount "181" @default.
• W2079228930 countsByYear W20792289302012 @default.
• W2079228930 countsByYear W20792289302013 @default.
• W2079228930 countsByYear W20792289302014 @default.
• W2079228930 countsByYear W20792289302015 @default.
• W2079228930 countsByYear W20792289302016 @default.
• W2079228930 countsByYear W20792289302017 @default.
• W2079228930 countsByYear W20792289302018 @default.
• W2079228930 countsByYear W20792289302019 @default.
• W2079228930 countsByYear W20792289302020 @default.
• W2079228930 countsByYear W20792289302021 @default.
• W2079228930 countsByYear W20792289302022 @default.
• W2079228930 countsByYear W20792289302023 @default.
• W2079228930 crossrefType "journal-article" @default.
• W2079228930 hasAuthorship W2079228930A5034852833 @default.
• W2079228930 hasAuthorship W2079228930A5039246173 @default.
• W2079228930 hasAuthorship W2079228930A5082983574 @default.
• W2079228930 hasAuthorship W2079228930A5088288881 @default.
• W2079228930 hasBestOaLocation W20792289302 @default.
• W2079228930 hasConcept C111919701 @default.
• W2079228930 hasConcept C121332964 @default.
• W2079228930 hasConcept C121864883 @default.
• W2079228930 hasConcept C134306372 @default.
• W2079228930 hasConcept C151201525 @default.
• W2079228930 hasConcept C165801399 @default.
• W2079228930 hasConcept C179003449 @default.
• W2079228930 hasConcept C187819001 @default.
• W2079228930 hasConcept C33923547 @default.
• W2079228930 hasConcept C41008148 @default.
• W2079228930 hasConcept C45594756 @default.
• W2079228930 hasConcept C46141821 @default.
• W2079228930 hasConcept C521977710 @default.
• W2079228930 hasConcept C62520636 @default.
• W2079228930 hasConcept C74650414 @default.
• W2079228930 hasConcept C79518650 @default.
• W2079228930 hasConcept C97355855 @default.
• W2079228930 hasConcept C99692599 @default.
• W2079228930 hasConceptScore W2079228930C111919701 @default.
• W2079228930 hasConceptScore W2079228930C121332964 @default.
• W2079228930 hasConceptScore W2079228930C121864883 @default.
• W2079228930 hasConceptScore W2079228930C134306372 @default.
• W2079228930 hasConceptScore W2079228930C151201525 @default.
• W2079228930 hasConceptScore W2079228930C165801399 @default.
• W2079228930 hasConceptScore W2079228930C179003449 @default.
• W2079228930 hasConceptScore W2079228930C187819001 @default.
• W2079228930 hasConceptScore W2079228930C33923547 @default.
• W2079228930 hasConceptScore W2079228930C41008148 @default.

• next