FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2068681676> ?p ?o ?g. }

• W2068681676 endingPage "674" @default.
• W2068681676 startingPage "655" @default.
• W2068681676 abstract "In order to elucidate the structure of methane solids in phase III, orientational orderings of molecules are studied on the basis of a model potential consisting of a crystalline field (one-body potential), octopole–octopole type, octopole–hexadecapole type, and hexadecapole–hexadecapole type potentials, which are obtained through a multipole expansion of the sum of interatomic Lennard-Jones type potentials. It is assumed that carbon atoms are fixed at sites of a fcc lattice, and that the orientational order has the period not larger than twice the lattice constant of the carbon fcc lattice. In the framework of classical molecular field approximation, we solve consistency equations for molecular fields, and examine stabilities of various solutions which branch off from phase I (disordered phase) or from phase II (partially ordered phase). To this end, Landau’s theorem on the phase transition of second order is extended such that it allows us to determine possible space groups for the lower temperature phase which are related to a given irreducible representation of the space group of the higher temperature phase. Two parameters are introduced to adjust the strengths of the multipolar interactions employed. Solutions with high branching temperatures are studied in detail within a range of parameters which yields the correct structure (Fm3c) for phase II. Referring to the extinction rules found by neutron diffraction experiments on CD4, we conclude that the structure of phase III is described by a solution with the tetragonal space group P42/mbc containing 16 molecules per unit cell (a subgroup of Fm3c). Inclusion of the octopole–hexadecapole type potentials is found to be most essential for stabilizing this structure relative to phase II. Changes in site symmetries at the transition II → III are O→D2, D2d →S4, and Cs. Thus the O-molecules in phase II also become ordered in phase III. However, in comparison with strong molecular fields at S4 and Cs sites, molecules at D2 sites are subjected to a much weaker molecular field. Approximating this multisite structure by a two-site model in tetrahedral fields, we analyze the observed heat capacity anomalies of CH3D and CH2D2 in phase III, and predict their tunneling level structures. Infrared and Raman spectra are also discussed. It is also found that a solution, C2/c containing four molecules per unit cell, becomes most stable at 0 K if the values of the hexadecapolar parameters are reduced and the crystalline field is strengthened." @default.
• W2068681676 created "2016-06-24" @default.
• W2068681676 creator A5016288763 @default.
• W2068681676 creator A5040461944 @default.
• W2068681676 creator A5089785520 @default.
• W2068681676 date "1979-01-15" @default.
• W2068681676 modified "2023-09-24" @default.
• W2068681676 title "Theory of phase transitions in solid methanes. XII. Orientational order of molecules in phase III" @default.
• W2068681676 cites W1972802743 @default.
• W2068681676 cites W1972916791 @default.
• W2068681676 cites W1972920456 @default.
• W2068681676 cites W1973796609 @default.
• W2068681676 cites W1974683235 @default.
• W2068681676 cites W1989226230 @default.
• W2068681676 cites W1991790116 @default.
• W2068681676 cites W1996230710 @default.
• W2068681676 cites W2001394126 @default.
• W2068681676 cites W2003940907 @default.
• W2068681676 cites W2012162495 @default.
• W2068681676 cites W2012521236 @default.
• W2068681676 cites W2014356227 @default.
• W2068681676 cites W2022981180 @default.
• W2068681676 cites W2045212577 @default.
• W2068681676 cites W2050895878 @default.
• W2068681676 cites W2052704453 @default.
• W2068681676 cites W2058992244 @default.
• W2068681676 cites W2060903390 @default.
• W2068681676 cites W2064112079 @default.
• W2068681676 cites W2064139528 @default.
• W2068681676 cites W2064464951 @default.
• W2068681676 cites W2065940056 @default.
• W2068681676 cites W2069356757 @default.
• W2068681676 cites W2077329870 @default.
• W2068681676 cites W2090247290 @default.
• W2068681676 cites W2123794338 @default.
• W2068681676 cites W2144035952 @default.
• W2068681676 cites W2764739962 @default.
• W2068681676 doi "https://doi.org/10.1063/1.437493" @default.
• W2068681676 hasPublicationYear "1979" @default.
• W2068681676 type Work @default.
• W2068681676 sameAs 2068681676 @default.
• W2068681676 citedByCount "63" @default.
• W2068681676 countsByYear W20686816762016 @default.
• W2068681676 countsByYear W20686816762017 @default.
• W2068681676 crossrefType "journal-article" @default.
• W2068681676 hasAuthorship W2068681676A5016288763 @default.
• W2068681676 hasAuthorship W2068681676A5040461944 @default.
• W2068681676 hasAuthorship W2068681676A5089785520 @default.
• W2068681676 hasConcept C115624301 @default.
• W2068681676 hasConcept C121332964 @default.
• W2068681676 hasConcept C149288129 @default.
• W2068681676 hasConcept C170751736 @default.
• W2068681676 hasConcept C178790620 @default.
• W2068681676 hasConcept C185592680 @default.
• W2068681676 hasConcept C201144084 @default.
• W2068681676 hasConcept C24890656 @default.
• W2068681676 hasConcept C26873012 @default.
• W2068681676 hasConcept C2781204021 @default.
• W2068681676 hasConcept C32909587 @default.
• W2068681676 hasConcept C44280652 @default.
• W2068681676 hasConcept C52765159 @default.
• W2068681676 hasConcept C62520636 @default.
• W2068681676 hasConcept C73585123 @default.
• W2068681676 hasConcept C8010536 @default.
• W2068681676 hasConceptScore W2068681676C115624301 @default.
• W2068681676 hasConceptScore W2068681676C121332964 @default.
• W2068681676 hasConceptScore W2068681676C149288129 @default.
• W2068681676 hasConceptScore W2068681676C170751736 @default.
• W2068681676 hasConceptScore W2068681676C178790620 @default.
• W2068681676 hasConceptScore W2068681676C185592680 @default.
• W2068681676 hasConceptScore W2068681676C201144084 @default.
• W2068681676 hasConceptScore W2068681676C24890656 @default.
• W2068681676 hasConceptScore W2068681676C26873012 @default.
• W2068681676 hasConceptScore W2068681676C2781204021 @default.
• W2068681676 hasConceptScore W2068681676C32909587 @default.
• W2068681676 hasConceptScore W2068681676C44280652 @default.
• W2068681676 hasConceptScore W2068681676C52765159 @default.
• W2068681676 hasConceptScore W2068681676C62520636 @default.
• W2068681676 hasConceptScore W2068681676C73585123 @default.
• W2068681676 hasConceptScore W2068681676C8010536 @default.
• W2068681676 hasIssue "2" @default.
• W2068681676 hasLocation W20686816761 @default.
• W2068681676 hasOpenAccess W2068681676 @default.
• W2068681676 hasPrimaryLocation W20686816761 @default.
• W2068681676 hasRelatedWork W2007284292 @default.
• W2068681676 hasRelatedWork W2022340055 @default.
• W2068681676 hasRelatedWork W2045570748 @default.
• W2068681676 hasRelatedWork W2054444369 @default.
• W2068681676 hasRelatedWork W2068026960 @default.
• W2068681676 hasRelatedWork W2075609568 @default.
• W2068681676 hasRelatedWork W2086592193 @default.
• W2068681676 hasRelatedWork W2329880591 @default.
• W2068681676 hasRelatedWork W2358588872 @default.
• W2068681676 hasRelatedWork W2949166169 @default.
• W2068681676 hasVolume "70" @default.
• W2068681676 isParatext "false" @default.
• W2068681676 isRetracted "false" @default.
• W2068681676 magId "2068681676" @default.

• next