نتایج جستجو برای: density functional theoryhalf

تعداد نتایج: 951890  

2017
René Van Roij Bela Mulder

We argue that the possibility to observe a stable biaxial nematic phase in a binary mixture of prolate and oblate hard particles is seriously limited by the existence of entropydriven demixing. This result follows from a simple Onsager-type density functional theory. An important feature15 the coupling of the demixing mechanism to the orientational order of the system. The strength of this coup...

Journal: :Computer Physics Communications 2012
Miguel A. L. Marques Micael J. T. Oliveira Tobias Burnus

Journal: :Photosynthesis Research 2009

1995
I. Kusaka

Density functional theory is applied to ion-induced nucleation of dipolar molecules. The predicted reversible work shows a sign preference, resulting in a difference in the nucleation rate by a factor of 10–10, for realistic values of model parameters. The sign effect is found to decrease systematically as the supersaturation is increased. The asymmetry of a molecule is shown to be directly res...

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