Matches in SemOpenAlex for { <https://semopenalex.org/work/W3187582019> ?p ?o ?g. }
Showing items 1 to 83 of
83
with 100 items per page.
- W3187582019 abstract "We report classical molecular dynamics (MD) simulation results for structural information of liquid Molybdenum at melting temperature. Effective interatomic interaction is deduced within the tight-binding second- moment approximation and extended up to three neighbor distance, as proposed by Karolewski [Radiation Effect & Defects in Solids, 153 (2001) 239]. By simultaneously varying density (ρ) and temperature (T), and observing the simulated system at a regular interval of time, we have estimated melting temperature (2903 K) and corresponding density (8.4915 g/cm3) is in agreement with the experimental and recent ab initio MD findings. Further, the pair-correlation function g(r) deduced at presently estimated melting temperature and density is analyzed in terms of coordination number and in reference to the assumed effective interaction potential. Unexpected large coordination number (12.84) found for such a BCC → liquid transition may be attributed to the limitation of the potential. Further, the Fourier transform of g(r) is used to derive static structure factor S(k) and its long wavelength limit is exploited to find compressibility. Relative position and nature of the first and the second peak in S(k) reveal following points: (i) first peak is symmetrical and (ii) the ratio of the position of the second peak to that of the first peak is 1.9013. This confirms that the system is fully melted into the normal liquid phase." @default.
- W3187582019 created "2021-08-16" @default.
- W3187582019 creator A5024695858 @default.
- W3187582019 creator A5027922453 @default.
- W3187582019 creator A5056118946 @default.
- W3187582019 creator A5059329197 @default.
- W3187582019 date "2021-01-01" @default.
- W3187582019 modified "2023-09-25" @default.
- W3187582019 title "Tight-Binding molecular dynamics simulation: Structural properties of liquid molybdenum at melting" @default.
- W3187582019 cites W1966426908 @default.
- W3187582019 cites W1971179163 @default.
- W3187582019 cites W1990820997 @default.
- W3187582019 cites W1993587536 @default.
- W3187582019 cites W1997471351 @default.
- W3187582019 cites W2007798399 @default.
- W3187582019 cites W2018671322 @default.
- W3187582019 cites W2042630094 @default.
- W3187582019 cites W2055065238 @default.
- W3187582019 cites W2055713585 @default.
- W3187582019 cites W2059527620 @default.
- W3187582019 cites W2060197514 @default.
- W3187582019 cites W2061563745 @default.
- W3187582019 cites W2092668019 @default.
- W3187582019 cites W2095535254 @default.
- W3187582019 cites W2286621894 @default.
- W3187582019 cites W2906956013 @default.
- W3187582019 cites W3048354671 @default.
- W3187582019 cites W3105261196 @default.
- W3187582019 doi "https://doi.org/10.1063/5.0052464" @default.
- W3187582019 hasPublicationYear "2021" @default.
- W3187582019 type Work @default.
- W3187582019 sameAs 3187582019 @default.
- W3187582019 citedByCount "1" @default.
- W3187582019 countsByYear W31875820192022 @default.
- W3187582019 crossrefType "proceedings-article" @default.
- W3187582019 hasAuthorship W3187582019A5024695858 @default.
- W3187582019 hasAuthorship W3187582019A5027922453 @default.
- W3187582019 hasAuthorship W3187582019A5056118946 @default.
- W3187582019 hasAuthorship W3187582019A5059329197 @default.
- W3187582019 hasBestOaLocation W31875820191 @default.
- W3187582019 hasConcept C121332964 @default.
- W3187582019 hasConcept C145912823 @default.
- W3187582019 hasConcept C147597530 @default.
- W3187582019 hasConcept C159467904 @default.
- W3187582019 hasConcept C159985019 @default.
- W3187582019 hasConcept C185592680 @default.
- W3187582019 hasConcept C191897082 @default.
- W3187582019 hasConcept C192562407 @default.
- W3187582019 hasConcept C24890656 @default.
- W3187582019 hasConcept C2985276288 @default.
- W3187582019 hasConcept C41008148 @default.
- W3187582019 hasConcept C549387045 @default.
- W3187582019 hasConcept C59593255 @default.
- W3187582019 hasConceptScore W3187582019C121332964 @default.
- W3187582019 hasConceptScore W3187582019C145912823 @default.
- W3187582019 hasConceptScore W3187582019C147597530 @default.
- W3187582019 hasConceptScore W3187582019C159467904 @default.
- W3187582019 hasConceptScore W3187582019C159985019 @default.
- W3187582019 hasConceptScore W3187582019C185592680 @default.
- W3187582019 hasConceptScore W3187582019C191897082 @default.
- W3187582019 hasConceptScore W3187582019C192562407 @default.
- W3187582019 hasConceptScore W3187582019C24890656 @default.
- W3187582019 hasConceptScore W3187582019C2985276288 @default.
- W3187582019 hasConceptScore W3187582019C41008148 @default.
- W3187582019 hasConceptScore W3187582019C549387045 @default.
- W3187582019 hasConceptScore W3187582019C59593255 @default.
- W3187582019 hasLocation W31875820191 @default.
- W3187582019 hasOpenAccess W3187582019 @default.
- W3187582019 hasPrimaryLocation W31875820191 @default.
- W3187582019 hasRelatedWork W1671655009 @default.
- W3187582019 hasRelatedWork W1971396682 @default.
- W3187582019 hasRelatedWork W1988665777 @default.
- W3187582019 hasRelatedWork W2000248703 @default.
- W3187582019 hasRelatedWork W2026667414 @default.
- W3187582019 hasRelatedWork W2032934442 @default.
- W3187582019 hasRelatedWork W2078877426 @default.
- W3187582019 hasRelatedWork W2513818173 @default.
- W3187582019 hasRelatedWork W2890248867 @default.
- W3187582019 hasRelatedWork W3158296526 @default.
- W3187582019 isParatext "false" @default.
- W3187582019 isRetracted "false" @default.
- W3187582019 magId "3187582019" @default.
- W3187582019 workType "article" @default.