Related papers: Structural anomalies for a three dimensional isotr…
An idealized high entropy oxide is characterized by perfect chemical disorder and perfect positional order. In this work, we investigate the extent to which short-range order (SRO) and local structural distortions impede that idealized…
Disorder effects in the thermodynamic properties of a ideal Bose gas confined in a semi-infinite multi-layer structure %described by $M$ permeable barriers within a box of thickness $L$ and infinite lateral extent, are analyzed. The layers…
Abridged abstract: Inert interactions between randomly moving entities and spatial disorder play a crucial role in quantifying the diffusive properties of a system. These interactions affect only the movement of the entities, and examples…
Soft-core attractive potentials can give rise to a phase diagram with three fluid phases at different densities (gas, low-density liquid and high-density liquid), separated by first order phase transition lines ending in critical points.…
We perform molecular dynamics simulations of 512 water-like molecules that interact via the TIP5P potential and are confined between two smooth hydrophobic plates that are separated by 1.10 nm. We find that the anomalous thermodynamic…
We study tagged particle diffusion at large packing fractions, for a model of particles interacting with a generalized Lennard-Jones 2n-n potential, with large n. The resulting short-range potential mimics interactions in colloidal systems.…
The hydrogen phase diagram has a number of unusual features which are generally well reproduced by density functional calculations. Unfortunately, these calculations fail to provide good physical insights into why those features occur. In…
Roughness and orientational order in thin films of anisotropic particles are investigated using kinetic Monte Carlo simulations on a cubic lattice. Anisotropic next-neighbor interactions between the lattice particles were chosen to mimic…
Vortex lines affect the spatial order-parameter distribution in superfluid 3He-B owing to superflow circulating around vortex cores and due to the interaction of the order parameter in the core and in the bulk as a result of superfluid…
We investigate the crystal structure and lattice vibrations of Sr$_2$IrO$_4$ by a combined phonon Raman scattering and x-ray powder diffraction experiment under pressures up to $66$ GPa and room temperature. Density functional theory (DFT)…
We consider the evolution of an isentropic thermal instability in the atomic zone of a photodissociation region (PDR). In this zone, gas heating and cooling are associated mainly with photoelectric emission from dust grains and…
We investigate the quantum dynamics in a disordered electronic lattice with Fibonacci sequence of site energy and off-diagonal electron-phonon coupling within a sub-Ohmic bath by the time-dependent density matrix renormalization group…
We report a study of the effects of pressure on the diffusivity of water molecules confined in single- wall carbon nanotubes (SWNT) with average mean pore diameter of 16 Angstroms. The measurements were carried out using high-resolution…
We use molecular dynamics to study the ordering of a nematic liquid crystal around a spherical particle or droplet. Homeotropic boundary conditions and strong anchoring create a hedgehog director configuration on the particle surface and in…
Series of molecular dynamics simulations for 2-propanol-water mixtures, as a function of temperature (between freezing and room temperature) and composition (xip= 0, 0.5, 0.1 and 0.2) have been performed for temperatures reported in the…
Jammed disordered packings of non-spherical particles show significant variation in the packing density as a function of particle shape for a given packing protocol. Rotationally symmetric elongated shapes such as ellipsoids,…
We study the spatial structure of wave functions with exceptionally high local amplitudes in the Anderson model of localisation. By means of exact diagonalisations of finite systems, we obtain and analyse images of these wave functions: we…
We study the structural changes occurring in the isotropic phase of the C$_{12}$=EO$_6$/H$_2$O lyotropic mixture (up to 35% surfactant weight concentration) upon increasing the concentration and temperature, from small individual micelles…
A mode-coupling theory for the slow single-particle dynamics in fluids adsorbed in disordered porous media is derived, which complements previous work on the collective dynamics [V. Krakoviack, Phys. Rev. E 75, 031503 (2007)]. Its…
The conventional wisdom suggests that transports of conserved quantities in non-integrable quantum many-body systems at high temperatures are diffusive. However, we discover a counterexample of this paradigm by uncovering anomalous…