Phase and interphase behavior of discotic liquid crystals
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作者:
Moreno-Razo, J. Antonio
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机构:
Univ Autonoma Metropolitana Iztapalapa, Dept Fis, Apartado Postal 55-534, Mexico City 09340, DF, MexicoUniv Autonoma Metropolitana Iztapalapa, Dept Fis, Apartado Postal 55-534, Mexico City 09340, DF, Mexico
Moreno-Razo, J. Antonio
[1
]
Cienegas-Caceres, Octavio
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机构:
Univ Autonoma Metropolitana Iztapalapa, Dept Fis, Apartado Postal 55-534, Mexico City 09340, DF, MexicoUniv Autonoma Metropolitana Iztapalapa, Dept Fis, Apartado Postal 55-534, Mexico City 09340, DF, Mexico
Cienegas-Caceres, Octavio
[1
]
Diaz-Herrera, Enrique
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机构:
Univ Autonoma Metropolitana Iztapalapa, Dept Fis, Apartado Postal 55-534, Mexico City 09340, DF, MexicoUniv Autonoma Metropolitana Iztapalapa, Dept Fis, Apartado Postal 55-534, Mexico City 09340, DF, Mexico
Diaz-Herrera, Enrique
[1
]
Quintana, Jacqueline
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机构:
Univ Nacl Autonoma Mexico, Inst Quim, Mexico City 04510, DF, MexicoUniv Autonoma Metropolitana Iztapalapa, Dept Fis, Apartado Postal 55-534, Mexico City 09340, DF, Mexico
Quintana, Jacqueline
[2
]
机构:
[1] Univ Autonoma Metropolitana Iztapalapa, Dept Fis, Apartado Postal 55-534, Mexico City 09340, DF, Mexico
[2] Univ Nacl Autonoma Mexico, Inst Quim, Mexico City 04510, DF, Mexico
computer simulation of liquid structure;
continuum models of liquid crystal;
liquid crystal transitions;
D O I:
暂无
中图分类号:
O64 [物理化学(理论化学)、化学物理学];
学科分类号:
070304 ;
081704 ;
摘要:
We present the phase diagram of Gay-Berne potential for discotic symmetry using a particular set of parameters. We show evidence of isotropic, nematic and columnar phases. These results were obtained using two different Molecular Dynamics ensembles to get complementary information. The canonical ensemble to produce interphases between coexisting phases and isothermalisobaric ensemble to calculate homogeneous properties. The phase diagram was constructed using 2048 particles. For the lower part of the phase diagram, corresponding to low range of temperatures, we present evidence of coexistence lines for isotropic and columnar phases, We support our conclusions on distribution functions and nematic order parameter results.