Topological insulators in free fermion systems have been well characterized and classified. However, it is not clear in strongly interacting boson or fermion systems what symmetry-protected topological orders exist. In this paper, we present a model in a two-dimensional (2D) interacting spin system with nontrivial onsite Z2 symmetry-protected topological order. The order is nontrivial because we can prove that the one-dimensional (1D) system on the boundary must be gapless if the symmetry is not broken, which generalizes the gaplessness of Wess-Zumino-Witten model for Lie symmetry groups to any discrete symmetry groups. The construction of this model is related to a nontrivial 3-cocycle of the Z2 group and can be generalized to any symmetry group. It potentially leads to a complete classification of symmetry-protected topological orders in interacting boson and fermion systems of any dimension. Specifically, this exactly solvable model has a unique gapped ground state on any closed manifold and gapless excitations on the boundary if Z2 symmetry is not broken. We prove the latter by developing the tool of a matrix product unitary operator to study the nonlocal symmetry transformation on the boundary and reveal the nontrivial 3-cocycle structure of this transformation. Similar ideas are used to construct a 2D fermionic model with onsite Z2 symmetry-protected topological order.

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 construct exactly soluble lattice models for fractionalized, time-reversal-invariant electronic insulators in two and three dimensions. The low-energy physics of these models is exactly equivalent to a noninteracting topological insulator built out of fractionally charged fermionic quasiparticles. We show that some of our models have protected edge modes [in two dimensions (2D)] and surface modes (in 3D), and are thus fractionalized analogs of topological insulators. We also find that some of the 2D models do not have protected edge modes; that is, the edge modes can be gapped out by appropriate time-reversal-invariant, charge-conserving perturbations. (A similar state of affairs may also exist in 3D.) We show that all of our models are topologically ordered, exhibiting fractional statistics as well as ground-state degeneracy on a torus. In the 3D case, we find that the models exhibit a fractional magnetoelectric effect.

Received 18 October 2011; revised 12 December 2011; published 21 December 2011 In ordinary dielectrics, the dynamical matrix at the zone center in general is a nonanalytic function of degree zero in the wave vector q. Its expression (for a crystal of arbitrary symmetry) is well known and is routinely implemented in first-principles calculations. The nonanalytic behavior occurs in polar crystals and owes to the coupling of the macroscopic electric field E to the lattice. In magnetoelectric crystals both electric and magnetic fields, E and H, are coupled to the lattice, formally on equal footing. We provide the general expression for the zone-center dynamical matrix in a magnetoelectric, where the E and H couplings are accounted for in a symmetric way. As in the ordinary case, the dynamical matrix is a nonanalytic function of degree zero in q, and is exact in the harmonic approximation. For the sake of completeness, we address other issues, and in particular, we solve a problem, which might arise in first-principles implementations, where—differently than here—the basic fields are E and B (not H).

"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."