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Spatial persistent large deviations probability of surface growth processes governed by the Edwards-Wilkinson dynamics, $P_x(x,s)$, with $-1 \leq s \leq 1$ is mapped isomorphically onto the temporal persistent large deviations probability…
Using the plane wave pseudopotential method we performed density functional theory calculations on the stability of steps and self-diffusion processes on Ag(100). Our calculated step formation energies show that the {111}-faceted step is…
The non equilibrium relaxational dynamics of the solid on solid model on a disordered substrate and the Sine Gordon model with random phase shifts is studied numerically. Close to the super-roughening temperature $T_g$ our results for the…
This article deals with the asymptotic behaviour as $t\to +\infty$ of the survival function $P[T > t],$ where $T$ is the first passage time above a non negative level of a random process starting from zero. In many cases of physical…
The probability distribution p(l) of an atom to return to a step at distance l from the detachment site, with a random walk in between, is exactly enumerated. In particular, we study the dependence of p(l) on step roughness, presence of…
We study Ti 1s near-edge spectroscopy in PbTiO$_3$ at various temperatures above and below its tetragonal-to-cubic phase transition, and in SrTiO$_3$ at room temperature. Ab initio molecular dynamics (AIMD) runs on 80-atom supercells are…
We calculate the energy gap (latent heat) and pressure gap between the hot and cold phases of the SU(3) gauge theory at the first order deconfining phase transition point. We perform simulations around the phase transition point with the…
We study the first-passage properties of a jump process with constant drift where jump amplitudes and inter-arrival times follow arbitrary light-tailed distributions with smooth densities. Using a mapping to an effective discrete-time…
The valence orders at $T_a=125$ K and $T_b=105$ K in the cubic compound YbPd have been investigated by $^{105}$Pd-nuclear magnetic resonance (NMR) measurements. Significant decrease in the density of states at the Fermi energy below $T_a$…
Al(110) has been studied for temperatures up to 900 K via ensemble density-functional molecular dynamics. The strong anharmonicity displayed by this surface results in a negative coefficient of thermal expansion, where the first interlayer…
We compute thermal and quantum fluctuations in the background of a domain wall in a scalar field theory at finite temperature using the exact scalar propagator in the subspace orthogonal to the wall's translational mode. The propagator…
Lattice constant of Bi$_2$Se$_3$ and Sb$_2$Te$_3$ crystals is determined by X-ray powder diffraction measurement in a wide temperature range. Linear thermal expansion coefficients ($\alpha$) of the crystals are extracted, and considerable…
We report a first principles study of the structure and the vibrational properties of the Si(100)-H(2 \times 1) surface in an electric field. The calculated vibrational parameters are used to model the vibrational modes in the presence of…
The decay of directional correlations in self-avoiding random walks on the square lattice is investigated. Analysis of exact enumerations and Monte Carlo data suggest that the correlation between the directions of the first step and the…
We investigate the electronic and vibrational spectra of SrTiO$_3$, as well as the coupling between them, using first-principles calculations. We compute electron-phonon scattering rates for the three lowest-energy conduction bands and use…
First-principles alloy theory is used to establish the $\gamma$-surface of Fe-Cr-Ni alloys as function of chemical composition and temperature. The theoretical stacking fault energy (SFE) versus chemistry and temperature trends agree well…
We show how, based on considerations on the observed form of the galaxy 2-point spatial correlation function xi(r), a very simplified -- yet surprisingly effective -- model for the linear density fluctuations power spectrum can be…
We measure the defect density as a function of time at different temperatures in simulations of a two dimensional system of interacting particles. Just above the solid to liquid transition temperature, the power spectrum of the defect…
In an effort to understand the fundamental physics of turbulent transport of particles and heat in a tokamak, the floating potential fluctuations in the the scrape-off layer plasma of ohmically heated ADITYA tokamak are analysed for…
We present a scheme to accurately calculate the persistence probabilities on sequences of $n$ heights above a level $h$ from the measured $n+2$ points of the height-height correlation function of a fluctuating interface. The calculated…