Related papers: Towards surface diffusion potential mapping on ato…
Inspired by random walk on graphs, diffusion map (DM) is a class of unsupervised machine learning that offers automatic identification of low-dimensional data structure hidden in a high-dimensional dataset. In recent years, among its many…
A novel method for measuring the surface coverage of randomly distributed cylindrical nanoparticles such as nanorods and nanowires, using atomic force microscopy (AFM), is presented. The method offers several advantages over existing…
Combining classical electrodynamics and density functional theory (DFT) calculations, we develop a general and rigorous theoretical framework that describes the energetics of metal surfaces under high electric fields. We show that the…
This Letter introduces an approach for precisely designing surface friction properties using a conditional generative machine learning model, specifically a diffusion denoising probabilistic model (DDPM). We created a dataset of synthetic…
Computational screening for new and improved catalyst materials relies on accurate and low-cost predictions of key parameters such as adsorption energies. Here, we use recently developed compressed sensing methods to identify descriptors…
Atomic force microscopy is an important tool for characterizing surface acoustic waves, in particular for high frequencies, where the wavelength is too short to be resolved by laser interferometry. A caveat is, that the cantilever…
We propose a simple scheme to estimate potential energy surface (PES) with which the accuracy can be easily controlled and improved up to the level of the density functional theory (DFT) calculations. It is based on a model selection within…
The role that non-local short-range correlation plays at metal surfaces is investigated by analyzing the correlation surface energy into contributions from dynamical density fluctuations of various two-dimensional wave vectors. Although…
We report on the experimental observation of the beaming effect in photonic crystals enhanced via surface modes. We experimentally map the spatial field distribution of energy emitted from a subwavelength photonic crystal waveguide into…
The dispersion process in particulate porous media at low saturation levels takes place over the surface elements of constituent particles and, as we have found previously by comparison with experiments, can be accurately described by…
Currently existing energy-stable parametric finite element methods for surface diffusion flow and other flows are usually limited to first-order accuracy in time. Designing a high-order algorithm for geometric flows that can also be…
The D-bar method at negative energy is numerically implemented. Using the method we are able to numerically reconstruct potentials and investigate exceptional points at negative energy. Subsequently, applying the method to Diffusive Optical…
In this paper, we develop an encounter-based model of partial surface adsorption for fractional diffusion in a bounded domain. We take the probability of adsorption to depend on the amount of particle-surface contact time, as specified by a…
The random-phase-approximation semiclassical scheme for description of plasmon excitations in large metallic nanospheres (with radius 10--100 nm) is developed for a case of presence of dynamical electric field. The spectrum of plasmons in…
A tutorial overview is given on interactions between atoms and surfaces that are mediated by the electromagnetic field. The emphasis is on dispersion (or van der Waals) forces and transitions induced by thermal fluctuations in the near…
A quantum-mechanical formulation of energy transfer between closely spaced surfaces is given. Coupling between the two surfaces arises from the atomic dipole-dipole interaction involving transverse-photon exchange. The exchange of photons…
When water is present in a medium with pore sizes in a range around 10nm the corresponding freezing point depression will cause long range broadening of a melting front. Describing the freezing-point depression by the Gibbs-Thomson equation…
We investigate the process by which a water molecule diffuses on the surface of an Al(111) electrode under constant bias voltage by first-principles density functional theory. To understand the diffusion path of the water on the Al(111), we…
The results of a density-functional-theory study of the formation energies of (100)- and (111)-faceted steps on the Pt(111) surface, as well as of the barrier for diffusion of an adatom on the flat surface, are presented. The step formation…
Based on a true phase space probability distribution function and an ensemble averaging procedure we have recently developed [Phys. Rev. E 65, 021109 (2002)] a non-Markovian quantum Kramers' equation to derive the quantum rate coefficient…