Related papers: Large decrease of fluctuations for supercooled wat…
We present mode-coupling theory (MCT) results for densely packed hard-sphere fluids confined between two parallel walls and compare them quantitatively to computer simulations. The numerical solution of MCT is calculated for the first time…
We report recent progress on the test of mode coupling theory for molecular liquids (MMCT) for molecules of arbitrary shape. The MMCT equations in the long time limit are solved for supercooled water including all molecular degrees of…
Through a direct comparison of specific heat and magneto-resistance we critically asses the nature of superconducting fluctuations in the same nano-gram crystal of SmFeAs(O, F). We show that although the superconducting fluctuation…
We report results of quantum Monte Carlo simulations in the canonical and the grand-canonical ensemble of the two- and three-dimensional Bose-Hubbard model with quadratic and quartic confining potentials. The quantum criticality of the…
We simulate high-pressure hydrogen in its liquid phase close to molecular dissociation using a machine-learned interatomic potential. The model is trained with density functional theory (DFT) forces and energies, with the…
The mechanism of the collapse of the superhydrophobic state is elucidated for submerged nanoscale textures forming a three-dimensional interconnected vapor domain. This key issue for the design of nanotextures poses significant simulation…
We present results from extensive molecular dynamics simulations of collapse transitions of hydrophobic polymers in explicit water focused on understanding effects of lengthscale of the hydrophobic surface and of attractive interactions on…
We study the effects of thermally induced capillary waves in the fragmentation of a liquid ligament into multiple nano-droplets. Our numerical implementation is based on a fluctuating lattice Boltzmann (LB) model for non-ideal…
In this work, the cryoscopic decrease effect, as a function of the NaCl concentration, on the carbon dioxide (CO$_2$) hydrate dissociation line conditions has been determined through molecular dynamic simulations. In particular, we have…
We present mesoscale numerical simulations based on the coupling of the fluctuating lattice Boltzmann method (FLBM) for multicomponent systems with a wetted finite-size particle model. This newly coupled methodologies are used to study the…
We analyse a binary mixture of colloidal parallel hard cylindrical particles with identical diameters but dissimilar lengths $L_1$ and $L_2$, with $s=L_2/L_1=3$, confined by two parallel hard walls in a planar slit-pore geometry, using a…
We study the effect of dissipation on quantum phase fluctuations in d-wave superconductors. Dissipation, arising from a nonzero low frequency optical conductivity which has been measured in experiments below $T_c$, has two effects: (1) a…
We suggest an experiment to study Luttinger liquid behavior in a one-dimensional nanostructure, avoiding the usual complications associated with transport measurements. The proposed setup consists of a quantum box, biased by a gate voltage,…
We investigate density fluctuations in a liquid close to a solvophobic substrate at which a surface critical drying transition occurs. Using classical density functional theory, we determine three measures of the spatial extent and strength…
We use the two fluid model to determine the conditions under which the nuclear spin-lattice lattice relaxation rate, $T_1$, of candidate heavy quantum critical superconductors can exhibit scaling behavior and find that it can occur if and…
We study the phase behavior of single homopolymers in a simple hydrophobic/hydrophilic off-lattice model with sequence independent local interactions. The specific heat is, not unexpectedly, found to exhibit a pronounced peak well below the…
Water behaves very differently at surfaces and under extreme confinement, but the boundary between these two regimes has remained unclear. Despite evidence that interfacial effects persist under sub-nanometre confinement, the…
We performed small-angle X-ray scattering measurements of liquid Te using a synchrotron radiation facility and observed the maximum scattering intensity near 620 K in the supercooled region (melting temperature 723 K). This result is an…
Diffusion of tracer dye molecules in water confined to nanoscale is an important subject with a direct bearing on many technological applications. It is not yet clear however, if the dynamics of water in hydrophilic as well as hydrophobic…
We perform large-scale Quantum Monte Carlo (QMC) simulations for strongly interacting bosons in a 2D optical lattice trap, and confirm an excellent agreement with the benchmarking in-situ density measurements by the Chicago group [1]. We…