Related papers: Solid-phase structures of the Dzugutov pair potent…
We have calculated the ground state electronic structure of He under pressure from 0 to 1500 GPa using both all-electron full-potential and pseudopotential methods based on the density functional theory (DFT). We find that throughout this…
The phase diagram of binary mixtures of particles interacting via a pair potential of parallel dipoles is computed at zero temperature as a function of composition and the ratio of their magnetic susceptibilities. Using lattice sums, a rich…
We elaborate a mechanism for the formation of stable solitons of the semi-vortex type (with vorticities 0 and 1 in their two components), populating a finite bandgap in the spectrum of the spin-orbit-coupled binary Bose-Einstein condensate…
We investigate theoretically globally nonuniform configurations of quantized-flux vortices in clean superconductors trapped by an external force field that induces a nonuniform vortex density profile. Using an extensive series of numerical…
Recent imaging experiments show a surprisingly robust regime of liquid-solid phase coexistence in a 2D electron system near the quantum melting/freezing transition, with the two phases mixed in mesoscopic domains. Strikingly, the…
Crystals form regular and robust structures that under extreme conditions can melt and recrystallize into different arrangements in a process that is called crystal metamorphism. While crystals exist due to the breaking of a continuous…
We have identified the ground state configurations of soft particles (interacting via inverse power potentials) confined between two hard, impenetrable walls. To this end we have used a highly reliable optimization scheme at {\it vanishing}…
Quasicrystals have been observed in a variety of materials ranging from metal alloys to block copolymers. However, their structural and dynamical properties cannot be readily described in terms of conventional solid-state models of liquids…
Thermodynamic equations for a solid and a solid continuum under stress are derived on the basis of a multicomponent mean field Markov process for thermofluctuation kinetics of microcracks. The resulting continuum is viscous elastoplastic…
Molecular crystals often exist in multiple competing polymorphs, showing significantly different physico-chemical properties. Computational crystal structure prediction is key to interpret and guide the search for the most stable or useful…
We address the existence, stability, and evolution of two-dimensional vortex quantum droplets (VQDs) in binary Bose-Einstein condensates trapped in a ring-shaped potential. The interplay of the Lee-Huang-Yang-amended nonlinearity and…
The phase diagram of colloidal hard superballs, of which the shape interpolates between cubes and octahedra via spheres, is determined by free-energy calculations in Monte Carlo simulations. We discover not only a stable face-centered cubic…
We discover the detailed atomic structure of $d$-MgZnY, a stable decagonal quasicrystal alloy of the layered Frank-Kasper type, and related phases, using the "tiling and decoration" approach. The atoms have invariable sites in the rectangle…
Identifying the atomic structure and properties of solid hydrogen under high pressures is a long-standing problem of high-pressure physics with far-reaching significance in planetary and materials science. Determining the…
There has been a major controversy over the past seven years about the high-pressure melting curves of transition metals. Static compression (diamond-anvil cell: DAC) experiments up to the Mbar region give very low melting slopes dT_m/dP,…
Melting of two-dimensional (2D) equilibrium crystals, from superconducting vortex lattices to colloidal structures, is a complex phenomenon characterized by the sequential loss of positional and orientational order. Whereas melting…
We theoretically study the stability conditions of the ferroelectric ice of the Cmc21 structure, which has been considered, for decades, one of the most promising candidates of the low temperature proton-ordered phase of pure ice Ih. It…
We report on the phase behavior of an aqueous binary charged sphere suspension under exhaustively deionized conditions as a function of number fraction of small particles p and total number density n. The mixture of size ratio 0.557…
Predicting quasicrystal structures is a multifaceted problem that can involve predicting a previously unknown phase, predicting the structure of an experimentally observed phase, or predicting the thermodynamic stability of a given…
We study the stability of vortex-lines in trapped dilute gases subject to rotation. We solve numerically both the Gross-Pitaevskii and the Bogoliubov equations for a 3d condensate in spherically and cilyndrically symmetric stationary traps,…