Related papers: Modelling the atomic structure of very high-densit…
We introduce a model describing vortices in strongly disordered three-dimensional superconductors. The model focuses on the topological defects, i.e., dislocation lines, in an elastic description of the vortex lattice. The model is studied…
The formation of regular patterns is a common feature of many solidification processes involving cast materials. We describe here how regular patterns can be obtained in porous alumina by controlling the freezing of ceramic slurries…
We use classical molecular dynamics combined with the recently developed metadynamics method [A. Laio and M. Parrinello, Procs. Natl. Acad. Sci. USA 99, 20 (2002)] to study the process of bulk melting in hexagonal ice. Our simulations show…
In this work, we conducted molecular dynamics simulations to study the fracture mechanism of ice crystals in a bulk phase and at ice-ice interfaces at the atomistic scale. We show that there exists a narrow disordered interfacial layer…
We present a computational study of the electronic properties of amorphous SiO2. The ionic configurations used are the ones generated by an earlier molecular dynamics simulations in which the system was cooled with different cooling rates…
We investigate the vibrational density of states (vDOS) in harmonic approximation of a binary mixture of colloidal patchy particles with two and three patches for different relative compositions $x_2$. At low temperature, this system forms…
Metal oxides such as VO$_2$ undergo structural transitions to low-symmetry phases characterized by intricate crystalline order, accompanied by rich electronic behavior. We derive a minimal ionic Hamiltonian based on symmetry and local…
We systematically explored the phase behavior of the hard-core two-scale ramp model suggested by Jagla[E. A. Jagla, Phys. Rev. E 63, 061501 (2001)] using a combination of the nested sampling and free energy methods. The sampling revealed…
It has been implicitly assumed that ices on grains in molecular clouds and proto planetary disks are formed by homogeneous layers regardless of their composition or crystallinity. To verify this assumption, we observed the H2O deposition…
It is established theoretically that an ordered state with continuous symmetry is inherently unstable to arbitrarily small amounts of disorder [1, 2]. This principle is of central importance in a wide variety of condensed systems including…
During directional solidification of the solvent in a colloidal suspension, the colloidal particles segregate from the growing solid, forming high-particle-density regions with structure on a hierarchy of length scales ranging from that of…
Ice-templating is a well-established processing route for porous ceramics. Because of the structure/properties relationships, it is essential to better understand and control the solidification microstructures. Ice-templating is based on…
As a first step towards understanding the morphology of PdO crystals we performed a systematic full-potential density-functional theory study of all possible 1 x 1 terminations of the low-index surfaces of tetragonal PdO. Applying the…
Ice Ih, the common form of ice in the biosphere, contains proton disorder. Its proton-ordered counterpart, ice XI, is thermodynamically stable below 72 K. However, even below this temperature the formation of ice XI is kinetically hindered…
An XY model with random phase shifts as a model for a superconducting glass is studied in two and three dimensions by a zero temperature domain wall renormalization group which allows one to follow the flows of both the coupling constant…
We consider homogeneous crystallisation rates in confocal microscopy experiments on colloidal nearly hard spheres at the single particle level. These we compare with Brownian dynamics simuations by carefully modelling the softness in the…
Recent theoretical studies predict that structural disorder, serving as a bridge connecting a crystalline material to an amorphous material, can induce a topological insulator from a trivial phase. However, to experimentally observe such a…
The stability of a vortex glass phase with quasi-long-range positional order is examined for a disordered layered superconductor. The role of topological defects is investigated using a detailed scaling argument, supplemented by a…
The segmental specific heat ratio of the couple hydrogen bond defines not only the phase of Vapor, Liquid, Ice I and XI phase with a quasisolid phase that shows the negative thermal extensibility but uniquely the slope of density of water…
The equilibrium behavior of vortices in the classical two-dimensional (2D) XY model with uncorrelated random phase shifts is investigated. The model describes Josephson-Junction arrays with positional disorder, and has ramifications in a…