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Orientational orders of small anisotropic molecules confined in slit pores

Xin Zhou·Hu Chen·Mitsumasa Iwamoto
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Abstract

We have studied phase behavior of hard gaussian overlap molecules with small anisotropic parameter confined in two plane parallel structureless hard walls. Our investigation based on standard constant-NPT Monte Carlo molecular simulation led us to some interesting findings. For small anisotropic molecules the nematic phase is instable in bulk, while, if the distance between the walls is small enough, an orientation-ordered phase can form. This result indicates that the required molecular elongation forming liquid-crystal phases is smaller in confinement than that in bulk. Considering the value of the elongation of molecules, the computed result inplies that small molecule liquid crystals may exist in confinement.

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Xin Zhou, Hu Chen, Mitsumasa Iwamoto. 2003-05-15. Orientational orders of small anisotropic molecules confined in slit pores. https://doi.org/10.1063/1.1647517

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