Matches in SemOpenAlex for { <https://semopenalex.org/work/W2035691806> ?p ?o ?g. }
- W2035691806 endingPage "255" @default.
- W2035691806 startingPage "249" @default.
- W2035691806 abstract "Molecular dynamics (MD) method is used to investigate the behavior of the pressure–volume–temperature (P–V–T) relationship, lattice constant and thermal expansivity for ZnO with rock-salt structure at high pressures and temperatures. The interionic potential is taken to be the sum of pair-wise additive Coulomb, van der Waals attraction, and repulsive interactions. The isothermal and isobaric properties are discussed from the corresponding P–V–T relationship, and it is shown that the MD simulation is successful in reproducing the measured volumes of ZnO over a wide range of temperature and pressure. Meanwhile, the equations of state parameters including lattice constant, linear thermal expansion coefficient, and isothermal bulk modulus are calculated and compared with the available experimental data and the latest theoretical results. At an extended pressure and temperature range, P–V–T relationship, lattice constant, and linear thermal expansion coefficient have been predicted. The structural and thermodynamic properties of ZnO with rock-salt structure are summarized in the pressure 0–100 GPa ranges and the temperature up to 3100 K." @default.
- W2035691806 created "2016-06-24" @default.
- W2035691806 creator A5024844898 @default.
- W2035691806 creator A5028325404 @default.
- W2035691806 creator A5043832320 @default.
- W2035691806 creator A5058792328 @default.
- W2035691806 creator A5070887766 @default.
- W2035691806 date "2007-02-01" @default.
- W2035691806 modified "2023-10-02" @default.
- W2035691806 title "Molecular dynamics simulation of P–V–T relationship of ZnO with rock-salt structure using pair-wise interactions" @default.
- W2035691806 cites W1566288807 @default.
- W2035691806 cites W1964087023 @default.
- W2035691806 cites W1969722044 @default.
- W2035691806 cites W1973316716 @default.
- W2035691806 cites W1991794210 @default.
- W2035691806 cites W1992523965 @default.
- W2035691806 cites W1995845285 @default.
- W2035691806 cites W2000767640 @default.
- W2035691806 cites W2004494118 @default.
- W2035691806 cites W2013905363 @default.
- W2035691806 cites W2016960382 @default.
- W2035691806 cites W2017196167 @default.
- W2035691806 cites W2033969776 @default.
- W2035691806 cites W2036704803 @default.
- W2035691806 cites W2037049879 @default.
- W2035691806 cites W2039994260 @default.
- W2035691806 cites W2053872198 @default.
- W2035691806 cites W2054152920 @default.
- W2035691806 cites W2056752484 @default.
- W2035691806 cites W2060607394 @default.
- W2035691806 cites W2066126130 @default.
- W2035691806 cites W2081693079 @default.
- W2035691806 cites W2082354437 @default.
- W2035691806 cites W2084271022 @default.
- W2035691806 cites W2086105144 @default.
- W2035691806 cites W2113017370 @default.
- W2035691806 cites W2140494151 @default.
- W2035691806 cites W2146462263 @default.
- W2035691806 cites W256102347 @default.
- W2035691806 cites W267525854 @default.
- W2035691806 cites W4211124699 @default.
- W2035691806 cites W4244639026 @default.
- W2035691806 doi "https://doi.org/10.1016/j.jpcs.2006.11.003" @default.
- W2035691806 hasPublicationYear "2007" @default.
- W2035691806 type Work @default.
- W2035691806 sameAs 2035691806 @default.
- W2035691806 citedByCount "11" @default.
- W2035691806 countsByYear W20356918062012 @default.
- W2035691806 countsByYear W20356918062013 @default.
- W2035691806 crossrefType "journal-article" @default.
- W2035691806 hasAuthorship W2035691806A5024844898 @default.
- W2035691806 hasAuthorship W2035691806A5028325404 @default.
- W2035691806 hasAuthorship W2035691806A5043832320 @default.
- W2035691806 hasAuthorship W2035691806A5058792328 @default.
- W2035691806 hasAuthorship W2035691806A5070887766 @default.
- W2035691806 hasConcept C120665830 @default.
- W2035691806 hasConcept C121332964 @default.
- W2035691806 hasConcept C126061179 @default.
- W2035691806 hasConcept C132612359 @default.
- W2035691806 hasConcept C133347239 @default.
- W2035691806 hasConcept C146211579 @default.
- W2035691806 hasConcept C147120987 @default.
- W2035691806 hasConcept C147597530 @default.
- W2035691806 hasConcept C178790620 @default.
- W2035691806 hasConcept C185592680 @default.
- W2035691806 hasConcept C207114421 @default.
- W2035691806 hasConcept C24890656 @default.
- W2035691806 hasConcept C26873012 @default.
- W2035691806 hasConcept C2781204021 @default.
- W2035691806 hasConcept C32909587 @default.
- W2035691806 hasConcept C39353612 @default.
- W2035691806 hasConcept C47463417 @default.
- W2035691806 hasConcept C59593255 @default.
- W2035691806 hasConcept C62520636 @default.
- W2035691806 hasConcept C73683733 @default.
- W2035691806 hasConcept C9342510 @default.
- W2035691806 hasConcept C94406020 @default.
- W2035691806 hasConcept C97355855 @default.
- W2035691806 hasConceptScore W2035691806C120665830 @default.
- W2035691806 hasConceptScore W2035691806C121332964 @default.
- W2035691806 hasConceptScore W2035691806C126061179 @default.
- W2035691806 hasConceptScore W2035691806C132612359 @default.
- W2035691806 hasConceptScore W2035691806C133347239 @default.
- W2035691806 hasConceptScore W2035691806C146211579 @default.
- W2035691806 hasConceptScore W2035691806C147120987 @default.
- W2035691806 hasConceptScore W2035691806C147597530 @default.
- W2035691806 hasConceptScore W2035691806C178790620 @default.
- W2035691806 hasConceptScore W2035691806C185592680 @default.
- W2035691806 hasConceptScore W2035691806C207114421 @default.
- W2035691806 hasConceptScore W2035691806C24890656 @default.
- W2035691806 hasConceptScore W2035691806C26873012 @default.
- W2035691806 hasConceptScore W2035691806C2781204021 @default.
- W2035691806 hasConceptScore W2035691806C32909587 @default.
- W2035691806 hasConceptScore W2035691806C39353612 @default.
- W2035691806 hasConceptScore W2035691806C47463417 @default.
- W2035691806 hasConceptScore W2035691806C59593255 @default.
- W2035691806 hasConceptScore W2035691806C62520636 @default.
- W2035691806 hasConceptScore W2035691806C73683733 @default.