FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2020199654> ?p ?o ?g. }

• W2020199654 abstract "Previous equilibrium-based density-functional theory (DFT) analyses of cavity formation in the pure component superheated Lennard-Jones (LJ) liquid [S. Punnathanam and D. S. Corti, J. Chem. Phys. 119, 10224 (2003); M. J. Uline and D. S. Corti, Phys. Rev. Lett. 99, 076102 (2007)] revealed that a thermodynamic limit of stability appears in which no liquidlike density profile can develop for cavity radii greater than some critical size (being a function of temperature and bulk density). The existence of these stability limits was also verified using isothermal-isobaric Monte Carlo (MC) simulations. To test the possible relevance of these limits of stability to a dynamically evolving system, one that may be important for homogeneous bubble nucleation, we perform isothermal-isobaric molecular dynamics (MD) simulations in which cavities of different sizes are placed within the superheated LJ liquid. When the impermeable boundary utilized to generate a cavity is removed, the MD simulations show that the cavity collapses and the overall density of the system remains liquidlike, i.e., the system is stable, when the initial cavity radius is below some certain value. On the other hand, when the initial radius is large enough, the cavity expands and the overall density of the system rapidly decreases toward vaporlike densities, i.e., the system is unstable. Unlike the DFT predictions, however, the transition between stability and instability is not infinitely sharp. The fraction of initial configurations that generate an instability (or a phase separation) increases from zero to unity as the initial cavity radius increases over a relatively narrow range of values, which spans the predicted stability limit obtained from equilibrium MC simulations. The simulation results presented here provide initial evidence that the equilibrium-based stability limits predicted in the previous DFT and MC simulation studies may play some role, yet to be fully determined, in the homogeneous nucleation and growth of embryos within metastable fluids." @default.
• W2020199654 created "2016-06-24" @default.
• W2020199654 creator A5025731480 @default.
• W2020199654 creator A5056789136 @default.
• W2020199654 date "2010-10-06" @default.
• W2020199654 modified "2023-09-27" @default.
• W2020199654 title "Molecular simulation study of cavity-generated instabilities in the superheated Lennard-Jones liquid" @default.
• W2020199654 cites W1966100644 @default.
• W2020199654 cites W1969504704 @default.
• W2020199654 cites W1970304778 @default.
• W2020199654 cites W1976989132 @default.
• W2020199654 cites W1985729062 @default.
• W2020199654 cites W1986976141 @default.
• W2020199654 cites W1987441841 @default.
• W2020199654 cites W1988046354 @default.
• W2020199654 cites W2001759223 @default.
• W2020199654 cites W2013020529 @default.
• W2020199654 cites W2015891365 @default.
• W2020199654 cites W2019005630 @default.
• W2020199654 cites W2024876603 @default.
• W2020199654 cites W2036510701 @default.
• W2020199654 cites W2039511936 @default.
• W2020199654 cites W2073014538 @default.
• W2020199654 cites W2074706835 @default.
• W2020199654 cites W2081442189 @default.
• W2020199654 cites W2084343596 @default.
• W2020199654 cites W2094683518 @default.
• W2020199654 cites W2098689615 @default.
• W2020199654 cites W2163606233 @default.
• W2020199654 cites W2168725496 @default.
• W2020199654 doi "https://doi.org/10.1063/1.3486086" @default.
• W2020199654 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/20942544" @default.
• W2020199654 hasPublicationYear "2010" @default.
• W2020199654 type Work @default.
• W2020199654 sameAs 2020199654 @default.
• W2020199654 citedByCount "7" @default.
• W2020199654 countsByYear W20201996542012 @default.
• W2020199654 countsByYear W20201996542013 @default.
• W2020199654 countsByYear W20201996542015 @default.
• W2020199654 countsByYear W20201996542017 @default.
• W2020199654 crossrefType "journal-article" @default.
• W2020199654 hasAuthorship W2020199654A5025731480 @default.
• W2020199654 hasAuthorship W2020199654A5056789136 @default.
• W2020199654 hasConcept C105795698 @default.
• W2020199654 hasConcept C109663097 @default.
• W2020199654 hasConcept C117647685 @default.
• W2020199654 hasConcept C121332964 @default.
• W2020199654 hasConcept C1276947 @default.
• W2020199654 hasConcept C133347239 @default.
• W2020199654 hasConcept C146211579 @default.
• W2020199654 hasConcept C178635117 @default.
• W2020199654 hasConcept C185592680 @default.
• W2020199654 hasConcept C19499675 @default.
• W2020199654 hasConcept C207821765 @default.
• W2020199654 hasConcept C33923547 @default.
• W2020199654 hasConcept C37114186 @default.
• W2020199654 hasConcept C38652104 @default.
• W2020199654 hasConcept C41008148 @default.
• W2020199654 hasConcept C41999313 @default.
• W2020199654 hasConcept C57879066 @default.
• W2020199654 hasConcept C59593255 @default.
• W2020199654 hasConcept C61048295 @default.
• W2020199654 hasConcept C62520636 @default.
• W2020199654 hasConcept C72422203 @default.
• W2020199654 hasConcept C97355855 @default.
• W2020199654 hasConceptScore W2020199654C105795698 @default.
• W2020199654 hasConceptScore W2020199654C109663097 @default.
• W2020199654 hasConceptScore W2020199654C117647685 @default.
• W2020199654 hasConceptScore W2020199654C121332964 @default.
• W2020199654 hasConceptScore W2020199654C1276947 @default.
• W2020199654 hasConceptScore W2020199654C133347239 @default.
• W2020199654 hasConceptScore W2020199654C146211579 @default.
• W2020199654 hasConceptScore W2020199654C178635117 @default.
• W2020199654 hasConceptScore W2020199654C185592680 @default.
• W2020199654 hasConceptScore W2020199654C19499675 @default.
• W2020199654 hasConceptScore W2020199654C207821765 @default.
• W2020199654 hasConceptScore W2020199654C33923547 @default.
• W2020199654 hasConceptScore W2020199654C37114186 @default.
• W2020199654 hasConceptScore W2020199654C38652104 @default.
• W2020199654 hasConceptScore W2020199654C41008148 @default.
• W2020199654 hasConceptScore W2020199654C41999313 @default.
• W2020199654 hasConceptScore W2020199654C57879066 @default.
• W2020199654 hasConceptScore W2020199654C59593255 @default.
• W2020199654 hasConceptScore W2020199654C61048295 @default.
• W2020199654 hasConceptScore W2020199654C62520636 @default.
• W2020199654 hasConceptScore W2020199654C72422203 @default.
• W2020199654 hasConceptScore W2020199654C97355855 @default.
• W2020199654 hasIssue "13" @default.
• W2020199654 hasLocation W20201996541 @default.
• W2020199654 hasLocation W20201996542 @default.
• W2020199654 hasOpenAccess W2020199654 @default.
• W2020199654 hasPrimaryLocation W20201996541 @default.
• W2020199654 hasRelatedWork W1133059997 @default.
• W2020199654 hasRelatedWork W1975493688 @default.
• W2020199654 hasRelatedWork W1983389454 @default.
• W2020199654 hasRelatedWork W2014302548 @default.
• W2020199654 hasRelatedWork W2019292855 @default.
• W2020199654 hasRelatedWork W2036399109 @default.
• W2020199654 hasRelatedWork W2067912639 @default.
• W2020199654 hasRelatedWork W2087904459 @default.

• next