Abstract
Viscoelastic properties of the molecular liquid consisting of 4,4′-N,N′-dicarbazolylbiphenyl (CBP) molecules near the glass transition temperature are investigated by molecular dynamics simulations. The relaxation dynamics is analyzed by considering each molecule as a point-like oriented particle. The dependence of the calculated properties on the coarse-grain parameter used in the calculation of orientation correlation is analyzed. The divergence of α-relaxation times is described by the Vogel–Fulcher–Tammann law and the mode coupling theory. The basic concepts of the glass transition theory are applied to a real amorphous organic semiconductor.
Published Version
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