Matches in SemOpenAlex for { <https://semopenalex.org/work/W159366828> ?p ?o ?g. }
Showing items 1 to 83 of
83
with 100 items per page.
- W159366828 abstract "We have performed a detailed study of molecular dissociation in liquid hydrogen using both Born-Oppenheimer molecular dynamics with Density Functional Theory and Coupled Electron-Ion Monte Carlo simulations. We observe a range of densities where (dP/d{rho}){sub T} = 0 that coincides with sharp discontinuities in the electronic conductivity, which is clear evidence of the plasma phase transition for temperatures 600K {le} T {le} 1500K. Both levels of theory exhibit the transition, although Quantum Monte Carlo predicts higher transition pressures. Based on the temperature dependence of the discontinuity in the electronic conductivity, we estimate the critical point of the transition at temperatures slightly below 2000 K. We examine the influence of proton zero point motion by using Path Integral Molecular Dynamics with Density Functional Theory; the main effect is to shift the transition to lower pressures. Furthermore, we calculate the melting curve of molecular hydrogen up to pressures of 200 GPa, finding a reentrant melting line in good agreement with previous calculations. The melting line crosses the metalization line at 700 K and 220 GPa using density functional energetics and at 550 K and 290 GPa using Quantum Monte Carlo energetics." @default.
- W159366828 created "2016-06-24" @default.
- W159366828 creator A5004152719 @default.
- W159366828 creator A5011485947 @default.
- W159366828 creator A5047684432 @default.
- W159366828 creator A5050441374 @default.
- W159366828 date "2010-02-08" @default.
- W159366828 modified "2023-09-27" @default.
- W159366828 title "Evidence for plasma phase transition in high pressure hydrogen from ab-initio simulations" @default.
- W159366828 hasPublicationYear "2010" @default.
- W159366828 type Work @default.
- W159366828 sameAs 159366828 @default.
- W159366828 citedByCount "0" @default.
- W159366828 crossrefType "journal-article" @default.
- W159366828 hasAuthorship W159366828A5004152719 @default.
- W159366828 hasAuthorship W159366828A5011485947 @default.
- W159366828 hasAuthorship W159366828A5047684432 @default.
- W159366828 hasAuthorship W159366828A5050441374 @default.
- W159366828 hasConcept C102931765 @default.
- W159366828 hasConcept C105795698 @default.
- W159366828 hasConcept C121332964 @default.
- W159366828 hasConcept C147597530 @default.
- W159366828 hasConcept C147789679 @default.
- W159366828 hasConcept C149288129 @default.
- W159366828 hasConcept C152365726 @default.
- W159366828 hasConcept C16016025 @default.
- W159366828 hasConcept C178790620 @default.
- W159366828 hasConcept C184779094 @default.
- W159366828 hasConcept C185592680 @default.
- W159366828 hasConcept C19499675 @default.
- W159366828 hasConcept C26873012 @default.
- W159366828 hasConcept C2777102306 @default.
- W159366828 hasConcept C2781442258 @default.
- W159366828 hasConcept C33923547 @default.
- W159366828 hasConcept C59593255 @default.
- W159366828 hasConcept C97355855 @default.
- W159366828 hasConceptScore W159366828C102931765 @default.
- W159366828 hasConceptScore W159366828C105795698 @default.
- W159366828 hasConceptScore W159366828C121332964 @default.
- W159366828 hasConceptScore W159366828C147597530 @default.
- W159366828 hasConceptScore W159366828C147789679 @default.
- W159366828 hasConceptScore W159366828C149288129 @default.
- W159366828 hasConceptScore W159366828C152365726 @default.
- W159366828 hasConceptScore W159366828C16016025 @default.
- W159366828 hasConceptScore W159366828C178790620 @default.
- W159366828 hasConceptScore W159366828C184779094 @default.
- W159366828 hasConceptScore W159366828C185592680 @default.
- W159366828 hasConceptScore W159366828C19499675 @default.
- W159366828 hasConceptScore W159366828C26873012 @default.
- W159366828 hasConceptScore W159366828C2777102306 @default.
- W159366828 hasConceptScore W159366828C2781442258 @default.
- W159366828 hasConceptScore W159366828C33923547 @default.
- W159366828 hasConceptScore W159366828C59593255 @default.
- W159366828 hasConceptScore W159366828C97355855 @default.
- W159366828 hasIssue "29" @default.
- W159366828 hasLocation W1593668281 @default.
- W159366828 hasOpenAccess W159366828 @default.
- W159366828 hasPrimaryLocation W1593668281 @default.
- W159366828 hasRelatedWork W1958411323 @default.
- W159366828 hasRelatedWork W1966426908 @default.
- W159366828 hasRelatedWork W1974258862 @default.
- W159366828 hasRelatedWork W2007006187 @default.
- W159366828 hasRelatedWork W2015405504 @default.
- W159366828 hasRelatedWork W2044448332 @default.
- W159366828 hasRelatedWork W2047646985 @default.
- W159366828 hasRelatedWork W2061719500 @default.
- W159366828 hasRelatedWork W2066520226 @default.
- W159366828 hasRelatedWork W2068802992 @default.
- W159366828 hasRelatedWork W2086620817 @default.
- W159366828 hasRelatedWork W2120454255 @default.
- W159366828 hasRelatedWork W2255223348 @default.
- W159366828 hasRelatedWork W2275923905 @default.
- W159366828 hasRelatedWork W2323957812 @default.
- W159366828 hasRelatedWork W241272173 @default.
- W159366828 hasRelatedWork W2792792599 @default.
- W159366828 hasRelatedWork W3100013500 @default.
- W159366828 hasRelatedWork W3106383039 @default.
- W159366828 hasRelatedWork W3136064402 @default.
- W159366828 hasVolume "107" @default.
- W159366828 isParatext "false" @default.
- W159366828 isRetracted "false" @default.
- W159366828 magId "159366828" @default.
- W159366828 workType "article" @default.