We present a large-scale study of the temperature-dependence of structures, free energy differences and properties of polymorphic molecular organic crystals. Lattice-vibrational Gibbs free energy differences between 475 pairs of polymorphs of organic molecular crystals have been calculated at 0 K and at their respective melting points, using a highly accurate anisotropic multipole-based force f...

We compare the behavior of a new two-dimensional aqueous colloidal model system with a simple numerical treatment. To the first order the attractive interaction between the colloids induced by an in-plane rotating ac electric field is dipolar, while the charge stabilization leads to a shorter ranged, Yukawa-like repulsion. In the crystal-like "rafts" formed at sufficient field strengths, we fin...

We construct in this paper two classes, based on stabilization and convex splitting, of decoupled, unconditionally energy stable schemes for Cahn-Hilliard phase-field models of two-phase incompressible flows. At each time step, these schemes require solving only a sequence of elliptic equations, including a pressure Poisson equation. Furthermore, all these elliptic equations are linear for the ...

The authors study a simple model of a nematic liquid crystal made of parallel ellipsoidal particles interacting via a repulsive Gaussian law. After identifying the relevant solid phases of the system through a careful zero-temperature scrutiny of as many as eleven candidate crystal structures, they determine the melting temperature for various pressure values, also with the help of exact free e...

in this paper, the effect of magnetic field on the morphology, structure and magnetic properties of electrodeposited fecu/cu thin films was investigated. the films were deposited on au2pdag/glass substrates using electrodeposition technique in potentiostatic control. the magnetic fields of 5000 and 7000 oe were applied on deposition bath during deposition. two series of thin films were prepared...