About: Dissipative Particle Dynamics at Isothermal, Isobaric, Isoenergetic, and Isoenthalpic Conditions Using Shardlow-like Splitting Algorithms

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About: Dissipative Particle Dynamics at Isothermal, Isobaric, Isoenergetic, and Isoenthalpic Conditions Using Shardlow-like Splitting Algorithms Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Numerical integration schemes based upon the Shardlow-splitting algorithm (SSA) are presented for dissipative particle dynamics (DPD) approaches at various fixed conditions, including a constantenthalpy (DPD-H) method that is developed by combining the equations-of-motion for a barostat with the equations-of-motion for the constant-energy (DPD-E) method. The DPD-H variant is developed for both a deterministic (Hoover) and stochastic (Langevin) barostat, where a barostat temperature is defined to satisfy the fluctuation-dissipation theorem for the Langevin barostat. Numerical integration schemes based upon the Shardlow-splitting algorithm (SSA) are presented for dissipative particle dynamics (DPD) approaches at various fixed conditions, including a constantenthalpy (DPD-H) method that is developed by combining the equations-of-motion for a barostat with the equations-of-motion for the constant-energy (DPD-E) method. The DPD-H variant is developed for both a deterministic (Hoover) and stochastic (Langevin) barostat, where a barostat temperature is defined to satisfy the fluctuation-dissipation theorem for the Langevin barostat. (en)
Title	Dissipative Particle Dynamics at Isothermal, Isobaric, Isoenergetic, and Isoenthalpic Conditions Using Shardlow-like Splitting Algorithms Dissipative Particle Dynamics at Isothermal, Isobaric, Isoenergetic, and Isoenthalpic Conditions Using Shardlow-like Splitting Algorithms (en)
skos:prefLabel	Dissipative Particle Dynamics at Isothermal, Isobaric, Isoenergetic, and Isoenthalpic Conditions Using Shardlow-like Splitting Algorithms Dissipative Particle Dynamics at Isothermal, Isobaric, Isoenergetic, and Isoenthalpic Conditions Using Shardlow-like Splitting Algorithms (en)
skos:notation	RIV/67985858:_____/11:00368353!RIV12-AV0-67985858
http://linked.open...avai/predkladatel	Ústav chemických procesů Akademie Věd ČR, v.v.i.
http://linked.open...avai/riv/aktivita	I P Z
http://linked.open...avai/riv/aktivity	I, P(GA203/08/0094), P(KAN400720701), Z(AV0Z40720504)
http://linked.open...iv/cisloPeriodika	20
http://linked.open...vai/riv/dodaniDat	2012
http://linked.open...aciTvurceVysledku	Lísal, Martin
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Ústav chemických procesů AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	194875
http://linked.open...ai/riv/idVysledku	RIV/67985858:_____/11:00368353
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	dissipative particle dynamics; Shardlow-splitting algorithm; coarse-grain model (en)
http://linked.open.../riv/klicoveSlovo	Shardlow-splitting algorithm coarse-grain model dissipative particle dynamics
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[76204D97159E]
http://linked.open...i/riv/nazevZdroje	Journal of Chemical Physics
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...vavai/riv/projekt	Hierarchic nanosystems for microelektronics Computer modeling of structural, dynamical and transport properties of fluids in nanospace
http://linked.open...UplatneniVysledku	2011
http://linked.open...v/svazekPeriodika	135
http://linked.open...iv/tvurceVysledku	Lísal, Martin Bonet Avalos, J. Brennan, J. K.
http://linked.open...ain/vavai/riv/wos	000297944600009
http://linked.open...n/vavai/riv/zamer	Investigation of multiphase reacting systems for the design of processes important in synthesis and preparation of novel materials, in energy production and in environmental protection
issn	0021-9606
number of pages	18 (xsd:int)
http://bibframe.org/vocab/doi	10.1063/1.3660209
is http://linked.open...avai/riv/vysledek of	Dissipative Particle Dynamics at Isothermal, Isobaric, Isoenergetic, and Isoenthalpic Conditions Using Shardlow-like Splitting Algorithms Dissipative Particle Dynamics at Isothermal, Isobaric, Isoenergetic, and Isoenthalpic Conditions Using Shardlow-like Splitting Algorithms

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