Investigation of anisotropic thermal conductivity of uniaxial and biaxial Gay-Berne particles with molecular dynamics simulation
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Tarih
2011
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Taylor & Francis Ltd
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
In this study, we investigated uniaxial and biaxial Gay-Berne (GB) particles with the help of the molecular dynamics (MD) simulation. Anisotropic thermal conductivities of the uniaxial and biaxial GB liquid crystal molecules were calculated both in the random molecular orientation and in the molecular orientations of 0 degrees, 45 degrees and 90 degrees using the Muller-Plathe method. In the uniaxial molecules, it was found that the thermal conductivity ratios between the parallel and perpendicular components for the smectic and nematic phases are about 2.2:1 and 2.8:1, respectively. As for biaxial molecules, these ratios between the parallel and perpendicular components of molecules for the smectic and nematic phases are about 3.9:1 and 3.8:1, respectively.
Açıklama
Anahtar Kelimeler
liquid crystal molecules, molecular dynamics simulation, Muller-Plathe method, thermal conductivity
Kaynak
Molecular Simulation
WoS Q Değeri
Q3
Scopus Q Değeri
Q2
Cilt
37
Sayı
14
