Orientational order in simple polar liquids: Effect of the quadrupole moment
被引:4
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作者:
Wei, DQ
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机构:Centre de Recherche en Calcul Applique, Quebec, H3X 2H9, 5160 boul. Decarie, Bureau 400, Montreal
Wei, DQ
机构:
[1] Centre de Recherche en Calcul Applique, Quebec, H3X 2H9, 5160 boul. Decarie, Bureau 400, Montreal
来源:
MOLECULAR CRYSTALS AND LIQUID CRYSTALS SCIENCE AND TECHNOLOGY SECTION A-MOLECULAR CRYSTALS AND LIQUID CRYSTALS
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1995年
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269卷
关键词:
D O I:
10.1080/10587259508037323
中图分类号:
O7 [晶体学];
学科分类号:
0702 ;
070205 ;
0703 ;
080501 ;
摘要:
Molecular dynamics (MD) simulations were carried out to investigate the effect of the quadrupole moment on the orientational order in polar liquids. A simple model of soft sphere with a point dipole and a linear quadrupole was employed in the current study. It is found that the quadrupole moment shifts the isotropic to ferroelectric nematic and the ferroelectric nematic to solid phase transitions to higher density. The columnar order appears at much lower temperature as compared with the pure dipole liquid.
机构:
Tel Aviv Univ, Sackler Ctr Computat Mol & Mat Sci, Sch Chem, IL-6997801 Tel Aviv, IsraelTel Aviv Univ, Sackler Ctr Computat Mol & Mat Sci, Sch Chem, IL-6997801 Tel Aviv, Israel
Pivnic, Karina
de Souza, J. Pedro
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机构:
MIT, Dept Chem Engn, Cambridge, MA 02139 USATel Aviv Univ, Sackler Ctr Computat Mol & Mat Sci, Sch Chem, IL-6997801 Tel Aviv, Israel
de Souza, J. Pedro
Kornyshev, Alexei A. A.
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机构:
Imperial Coll London, Dept Chem, Mol Sci Res Hub, London W12 0BZ, England
Imperial Coll London, Thomas Young Ctr Theory & Simulat Mat, London SW7 2AZ, EnglandTel Aviv Univ, Sackler Ctr Computat Mol & Mat Sci, Sch Chem, IL-6997801 Tel Aviv, Israel
Kornyshev, Alexei A. A.
Urbakh, Michael
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机构:
Tel Aviv Univ, Sackler Ctr Computat Mol & Mat Sci, Sch Chem, IL-6997801 Tel Aviv, IsraelTel Aviv Univ, Sackler Ctr Computat Mol & Mat Sci, Sch Chem, IL-6997801 Tel Aviv, Israel
Urbakh, Michael
Bazant, Martin Z. Z.
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h-index: 0
机构:
MIT, Dept Chem Engn, Cambridge, MA 02139 USA
MIT, Dept Math, Cambridge, MA 02139 USATel Aviv Univ, Sackler Ctr Computat Mol & Mat Sci, Sch Chem, IL-6997801 Tel Aviv, Israel