"The self assembly of core-corona discs interacting via anisotropic potentials is investigated using Monte Carlo computer simulations. A minimal interaction potential that incorporates anisotropy in a simple way is introduced. It consists in a core-corona architecture in which the center of the core is shifted with respect to the center of the corona. Anisotropy can thus be tuned by progressively shifting the position of the core. Despite its simplicity, the system self organize in a rich variety of structures including stripes, triangular and rectangular lattices, and unusual plastic crystals. Our results indicate that the amount of anisotropy does not alter the lattice spacing and only influences the type of clustering (stripes, micells, etc.) of the individual particles."

A fully parallel version of the contact dynamics (CD) method is presented in this paper. For large enough systems, 100% efficiency has been demonstrated for up to 256 processors using a hierarchical domain decomposition with dynamic load balancing. The iterative scheme to calculate the contact forces is left domain-wise sequential, with data exchange after each iteration step, which ensures its stability. The number of additional iterations required for convergence by the partially parallel updates at the domain boundaries becomes negligible with increasing number of particles, which allows for an effective parallelization. Compared to the sequential implementation, we found no influence of the parallelization on simulation results.

"We have developed a method for prediction of the hardest crystal structures in a given chemical system. It is based on the evolutionary algorithm USPEX and electronegativity-based hardness model that we have augmented with bond-valence model and graph theory. These extensions enable correct description of the hardness of layered, molecular and low-symmetry crystal structures. Applying this method to C and TiO2, we have (i) obtained a number of low-energy carbon structures with hardness slightly lower than diamond and (ii) proved that TiO2 in any of its possible polymorphs cannot be the hardest oxide, its hardness being below 17 GPa."

"… We examine here how the algorithm of phyllotaxis could contribute to the analysis of the structure of collagen fibrils. Such an algorithm indeed leads to organizations giving to each element of the assembly the most homogeneous and isotropic dense environment in a situation of cylindrical symmetry. The scattered intensity expected from a phyllotactic distribution of triple helices in collagen fibrils well agrees with the major features observed along the equatorial direction of their X ray patterns. Following this approach, the aggregation of triple helices in fibrils should be considered within the frame of soft condensed matter studies rather than that of molecular crystal studies."

can I have some of these particles, please?

"We study the phase behavior of bowl-shaped particles using computer simulations. These particles were found experimentally to form a meta-stable worm-like fluid phase in which the bowl-shaped particles have a strong tendency to stack on top of each other [M.Marechal et al, Nano Letters 10, 1907 (2010)]. In this work, we show that the transition from the low-density fluid to the worm-like phase has an interesting effect on the equation of state. The simulation results also show that the worm-like fluid phase transforms spontaneously into a columnar phase for bowls that are sufficiently deep. Furthermore, we describe the phase behavior as obtained from free energy calculations employing Monte Carlo simulations. The columnar phase is stable for bowl shapes ranging from infinitely thin bowls to surprisingly shallow bowls. … the phase diagram features four novel crystal phases and a region where the stable fluid contains worm-like stacks."

Sometimes physics is just pretty.

"We use three-dimensional phase-field simulations to investigate the dynamics of the two-phase composite patterns formed upon during solidification of eutectic alloys. Besides the spatially periodic lamellar and rod patterns that have been widely studied, we find that there is a large number of additional steady-state patterns which exhibit stable defects. The defect density can be so high that the pattern is completely disordered, and that the distinction between lamellar and rod patterns is blurred. As a consequence, the transition from lamellae to rods is not sharp, but extends over a finite range of compositions and exhibits strong hysteresis. Our findings are in good agreement with experiments."