FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3165080656> ?p ?o ?g. }

• W3165080656 abstract "A comprehensive computational analysis of the stable accommodations of an atom in the Lennard-Jones (LJ) face-centered-cubic (fcc) and hexagonal-closest-packed (hcp) lattices is presented. For a wide range of the guest-host LJ interaction parameters and the number of host atoms removed, $N$, global optimizations are performed to find the minimum energy structures. Stable accommodations are determined using the convex hull of the energy dependence on $N$. The most stable ground accommodations are mapped onto the guest-host LJ parameter space for the hosts representing the rare-gas solids from Ne to Xe. The radial distribution function analysis is used to classify the structures found as originating from the guest placements in the lattice voids or at the node. Ten generic accommodations are identified for each lattice. Comparing to mostly polyhedral structures in fcc, the hcp ones have generally lower symmetry, which should affect the band shapes of atomic absorption spectra. Despite the well-known wrong prediction of higher hcp phase stability in the LJ model, the cases of strong accommodation preferences in one phase or another are identified. Being generic, the obtained results can be useful for a qualitative interpretation of atomic matrix isolation experiments." @default.
• W3165080656 created "2021-06-07" @default.
• W3165080656 creator A5039146987 @default.
• W3165080656 creator A5060438413 @default.
• W3165080656 creator A5066112309 @default.
• W3165080656 date "2021-05-26" @default.
• W3165080656 modified "2023-09-24" @default.
• W3165080656 title "Generic accommodations of an atom in the Lennard-Jones fcc and hcp rare-gas solids: A computational study" @default.
• W3165080656 cites W1502554393 @default.
• W3165080656 cites W1965509686 @default.
• W3165080656 cites W1966132942 @default.
• W3165080656 cites W1967768965 @default.
• W3165080656 cites W1970436537 @default.
• W3165080656 cites W1971172117 @default.
• W3165080656 cites W1996299839 @default.
• W3165080656 cites W1998994860 @default.
• W3165080656 cites W2004366174 @default.
• W3165080656 cites W2009819072 @default.
• W3165080656 cites W2014080288 @default.
• W3165080656 cites W2019008233 @default.
• W3165080656 cites W2021834405 @default.
• W3165080656 cites W2029198670 @default.
• W3165080656 cites W2032720727 @default.
• W3165080656 cites W2037859325 @default.
• W3165080656 cites W2038882021 @default.
• W3165080656 cites W2041591617 @default.
• W3165080656 cites W2041715937 @default.
• W3165080656 cites W2042796533 @default.
• W3165080656 cites W2043213428 @default.
• W3165080656 cites W2045402844 @default.
• W3165080656 cites W2045449513 @default.
• W3165080656 cites W2047976780 @default.
• W3165080656 cites W2056760934 @default.
• W3165080656 cites W2057539843 @default.
• W3165080656 cites W2059174771 @default.
• W3165080656 cites W2064153718 @default.
• W3165080656 cites W2065998370 @default.
• W3165080656 cites W2066977476 @default.
• W3165080656 cites W2067676223 @default.
• W3165080656 cites W2069092823 @default.
• W3165080656 cites W2074337500 @default.
• W3165080656 cites W2091103548 @default.
• W3165080656 cites W2093887036 @default.
• W3165080656 cites W2106658698 @default.
• W3165080656 cites W2116099356 @default.
• W3165080656 cites W2145840673 @default.
• W3165080656 cites W2147451083 @default.
• W3165080656 cites W2147828876 @default.
• W3165080656 cites W2312815696 @default.
• W3165080656 cites W2329399714 @default.
• W3165080656 cites W2518530767 @default.
• W3165080656 cites W2593816171 @default.
• W3165080656 cites W2794544653 @default.
• W3165080656 cites W2795304229 @default.
• W3165080656 cites W2888067894 @default.
• W3165080656 cites W2914999472 @default.
• W3165080656 cites W2952217453 @default.
• W3165080656 cites W2955241098 @default.
• W3165080656 cites W2978121356 @default.
• W3165080656 cites W2983618899 @default.
• W3165080656 cites W3100444934 @default.
• W3165080656 cites W4234515892 @default.
• W3165080656 cites W4256260662 @default.
• W3165080656 doi "https://doi.org/10.1103/physrevb.103.184110" @default.
• W3165080656 hasPublicationYear "2021" @default.
• W3165080656 type Work @default.
• W3165080656 sameAs 3165080656 @default.
• W3165080656 citedByCount "2" @default.
• W3165080656 countsByYear W31650806562021 @default.
• W3165080656 crossrefType "journal-article" @default.
• W3165080656 hasAuthorship W3165080656A5039146987 @default.
• W3165080656 hasAuthorship W3165080656A5060438413 @default.
• W3165080656 hasAuthorship W3165080656A5066112309 @default.
• W3165080656 hasConcept C112680207 @default.
• W3165080656 hasConcept C121332964 @default.
• W3165080656 hasConcept C149635348 @default.
• W3165080656 hasConcept C184779094 @default.
• W3165080656 hasConcept C192562407 @default.
• W3165080656 hasConcept C206194317 @default.
• W3165080656 hasConcept C24890656 @default.
• W3165080656 hasConcept C2524010 @default.
• W3165080656 hasConcept C2781204021 @default.
• W3165080656 hasConcept C2994388031 @default.
• W3165080656 hasConcept C33923547 @default.
• W3165080656 hasConcept C41008148 @default.
• W3165080656 hasConcept C41999313 @default.
• W3165080656 hasConcept C58312451 @default.
• W3165080656 hasConcept C84551667 @default.
• W3165080656 hasConceptScore W3165080656C112680207 @default.
• W3165080656 hasConceptScore W3165080656C121332964 @default.
• W3165080656 hasConceptScore W3165080656C149635348 @default.
• W3165080656 hasConceptScore W3165080656C184779094 @default.
• W3165080656 hasConceptScore W3165080656C192562407 @default.
• W3165080656 hasConceptScore W3165080656C206194317 @default.
• W3165080656 hasConceptScore W3165080656C24890656 @default.
• W3165080656 hasConceptScore W3165080656C2524010 @default.
• W3165080656 hasConceptScore W3165080656C2781204021 @default.
• W3165080656 hasConceptScore W3165080656C2994388031 @default.
• W3165080656 hasConceptScore W3165080656C33923547 @default.
• W3165080656 hasConceptScore W3165080656C41008148 @default.

• next