Interaction-induced light scattering in Lennard-Jones argon clusters: Computer simulations

The dynamics of 4-cyano-4-n-pentylbiphenyl (5CB) mesogen molecules located between graphene layers—MD study

“…Then vector is usually called the director of a sample. The largest eigenvalue of the order tensor Q ij is the second-rank order parameter P 2 [11][12][13][14][15] (0 < P 2 < 1). The calculated values P 2 = 0.69, 0.71, 0.60, 0.59 of the mesogenic layer at T = 250 K, 300 K, 350 K and 400 K, respectively was obtained (see Fig.…”

Dielectric relaxation of 4-cyano-4-n-pentylbiphenyl (5CB) thin layer adsorbed on carbon nanotube – MD simulation

“…The parameters used in Eq. (1) are given in Table 1 [3,4]. The LJ potential parameters between unlike atoms A and B are given by Lorentz-Berthelot rules…”

Dynamical properties of potassium ion K+ trapped in a fullerene C60 cage: An MD simulation

“…The liveliness of this issue has been enhanced by research on the possible applications of fullerene compounds as electro-fluid shuttle memory elements, ultralubricators in molecular bearings and nanogears and quantum bit (qbit) [5][6][7][8]. Moreover, decorated fullerenes are known to exhibit physical properties strikingly different from those of pure system [9][10][11][12][13][14][15]. We have chosen to investigate a K + @C 60 system, taking into account the above-mentioned possible applications of the family of endohedral fullerene compounds.…”