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Computer simulations of structure formation in network forming materials (such as amorphous semiconductors, glasses, or fluids containing hydrogen bonds) are challenging. The problem is that large structural changes in the network topology…
We employ large-scale quantum Monte Carlo simulations to study the magnetic ordering transition among dilute magnetic moments randomly localized on the graphene honeycomb lattice, induced by long-ranged RKKY interactions at low charge…
Motivated by recent neutron scattering experiments, we study the ordering of spins in the iron-based superconductors La(O_{1-x}F_x)FeAs, assuming them in proximity to a Mott insulator in the phase diagram. The ground state of the parent…
Using molecular dynamics simulations we investigate the structure of a system of particles interacting through a continuous core-softened interparticle potential. We found for the translational order parameter, t, a local maximum at a…
How condensed-matter simulations depend on the number of molecules being simulated ($N$) is sometimes itself a valuable piece of information. Liquid crystals provide a case in point. Light scattering and $2d$-IR experiments on…
We discuss the problem of proton motion in Hydrogen bond materials with special focus on ice. We show that phenomenological models proposed in the past for the study of ice can be recast in terms of microscopic models in close relationship…
This letter addresses basic questions concerning ferroelectric order in positionally disordered dipolar materials. Three models distinguished by dipole vectors which have one, two or three components are studied by computer simulation.…
The effects of a displacive structural phase transition on sliding friction are in principle accessible to nanoscale tools such as the Atomic Force Microscopy, yet they are still surprisingly unexplored. We present model simulations…
We study phase ordering dynamics in the three-dimensional nearest-neighbor Ising model, following rapid quenches from infinite to zero temperature. Results on various aspects, viz., domain growth, persistence, aging and pattern, have been…
Protoplanetary disk ice lines shape a multitude of planet formation processes, setting the environmental composition through evolution. Ice line locations depend on molecular sublimation and deposition properties, but in dynamic disks where…
We study numerically the kinetic roughening properties of the precursor fronts of nonvolatile liquid droplets spreading on solid substrates, for the case of circular droplets, more frequently addressed in experiments. To this end, we…
The configurational and melting properties of large two-dimensional clusters of charged classical particles interacting with each other via the Coulomb potential are investigated through the Monte Carlo simulation technique. The particles…
The chromium spinels MgCr2O4 and ZnCr2O4 are prime examples of the highly frustrated pyrochlore lattice antiferromagnet. Experiment has carefully established that both materials, upon cooling, distort to lower symmetry and order…
Context. Interstellar ice is the main form of metal species in dark molecular clouds. Experiments and observations have shown that the ice is significantly processed after the freeze-out of molecules onto grains. The processing is caused by…
We present experiments on the behavior of reaction fronts in ordered and disordered cellular flows with imposed winds. Fronts in a chain of alternating vortices are found to freeze (pin to the separatrix) for a wide range of imposed winds…
We present results of Monte Carlo simulations of the two dimensional one-component plasma and of the Ginzberg-Landau model in the lowest Landau level approximation, with both charges and vortices respectively confined within a disc. In both…
Dc magnetic measurements across the charge ordering (CO) transition temperature (T$_{CO}$) in polycrystalline Pr$_{0.5}$Ca$_{0.5}$Mn$_{0.975}$Al$_{0.025}$O$_3$ have been performed under simultaneous influence of external hydrostatic…
The ice surface is known for presenting a very small kinetic friction coefficient, but the origin of this property remains highly controversial to date. In this work, we revisit recent computer simulations of ice sliding on atomically…
We discuss the results of a study of restricted solid-on-solid models for fcc (110) surfaces. These models are simple modifications of the exactly solvable BCSOS model, and are able to describe a $(2\times 1)$ missing-row reconstructed…
Many soft-matter and biophysical systems are composed of monomers which reversibly assemble into rod-like aggregates. The aggregates can then order into liquid-crystal phases if the density is high enough, and liquid-crystal ordering…