Related papers: Diffusion of Pt dimers on Pt(111)
We present an analytical description of the Alchemical Transfer Method (ATM) for molecular binding using the Potential Distribution Theory (PDT) formalism. ATM models the binding free energy by mapping the bound and unbound states of the…
This paper introduces an axiomatic approach in the theory of energy dissipation in Hilbert envelopes on waveforms emanating from various vibrating systems. A Hilbert envelope is a curve tangent to peak points on a motion waveform. The basic…
We consider heat conduction in a 1D dynamical channel. The channel consists of a group of noninteracting particles, which move between two heat baths according to some dynamical process. We show that the essential thermodynamic properties…
A combined low-temperature scanning tunneling microscopy and density functional theory study on the binding and diffusion of copper monomers, dimers, and trimers adsorbed on Cu(111) is presented. Whereas atoms in trimers are found in fcc…
We consider a heavy quantum particle with an internal degree of freedom moving on the $d$-dimensional lattice $\bbZ^d$ (e.g., a heavy atom with finitely many excited states). The particle is coupled to a thermal medium (bath) consisting of…
We analyze the magnetic dipole contribution to atom-surface dispersion forces. Unlike its electrical counterpart, it involves small transition frequencies that are comparable to thermal energy scales. A significant temperature dependence is…
Consistent descriptions of the equation of states, and information about transport coefficients of deuterium-tritium mixture are demonstrated through quantum molecular dynamic (QMD) simulations (up to a density of 600 g/cm$^{3}$ and a…
The relative efficacy of electrochemical permeation (EP) and isothermal desorption spectroscopy (ITDS) methods for determining the hydrogen diffusivity is investigated using cold-rolled pure iron. The diffusivities determined from 13 first…
Enzymes have been recently found to exhibit enhanced diffusion due to their catalytic activities. A recent experiment [C. Riedel et al., Nature 517, 227 (2015)] has found evidence that suggests this phenomenon might be controlled by the…
Dynamics of a particle diffusing in a confinement can be seen a sequence of bulk-diffusion-mediated hops on the confinement surface. Here, we investigate the surface hopping propagator that describes the position of the diffusing particle…
In this study used is an approach based on measurements of the total energy distribution (TED) of field emitted electrons in order to examine the properties of Pd (133) from the aspect of both hydrogen adsorption and surface hydrides…
In this paper we present a systematic and rigorous method for calculating the diffusion tensor for a Brownian particle moving in a periodic potential which is valid in arbitrary dimensions and for all values of the dissipation. We use this…
We investigate the diffusive motion of an overdamped classical particle in a 1D random potential using the mean first-passage time formalism and demonstrate the efficiency of this method in the investigation of the large-time dynamics of…
The evolution of infinitesimal, localized perturbations is investigated in a one-dimensional diatomic gas of hard-point particles (HPG) and thereby connected to energy diffusion. As a result, a Levy walk description, which was so far…
In the present work, the discrete flame model [1] is augmented by introducing the thermal inertia of particles in the preheating zone. The effect of particle thermal inertia on flame speed, propagation limits, and near-limits dynamics of…
We compare the two-dimensional (2D) plasmon dispersion relations for monolayer graphene when the sample is doped with carriers in the conduction band and the temperature $T$ is zero with the case when the temperature is finite and there is…
For unpolarized electrons in a clean quantum wire, density functional theory reveals a thermally activated suppression of conductance. The activation temperature T_A grows slowly (roughly quadratically) with gate voltage due to pinning of…
We develop a perturbative treatment of induced dipole-dipole interactions in the diffusive transport of electromagnetic waves through disordered atomic clouds. The approach is exact at order two in the atomic density and accounts for the…
The double proton transfer (DPT) reaction in hydrated formic acid dimer (FAD) is investigated at molecular-level detail. For this, a global and reactive machine learned (ML) potential energy surface (PES) is developed to run extensive (more…
In this letter we propose a Turing model of the formation of patterns of visible light emission intensity in atmospheric pressure gas discharges. The electron density and the electron temperature take the roles of activator and inhibitor…