Related papers: Solute-solute interactions in intermetallic compou…
Ultracold YbAg molecules have been recently proposed as promising candidates for electron electric dipole moment searches [Verma, Jayich, and Vutha, Phys. Rev. Lett. 125, 153201 (2020)]. Here, we calculate potential energy curves, permanent…
Diffusion is often accompanied by a reaction or sorption which can induce temperature inhomogeneities. Monte Carlo simulations of Lennard-Jones atoms in zeolite NaCaA are reported with a hot zone presumed to be created by a reaction. Our…
We employ two different atomistic methods to investigate solute-defect interactions in nanosized palladium-hydrogen (Pd-H) systems across multiple time scales. The first method, referred to as Diffusive Molecular Dynamics (DMD), focuses on…
We study the underpotential deposition of Cu on single-crystal Au(111) electrodes in sulfate-containing electrolytes by a combination of computational statistical-mechanics based lattice-gas modeling and experiments. The experimental…
Measurements of interactions between cold molecules and ultracold atoms can allow for a detailed understanding of fundamental collision processes. These measurements can be done using various experimental geometries including where both…
The magnetic properties and the effects of interparticle interaction on it have been studied in nanoparticles of half doped Pr$_{0.5}$Sr$_{0.5}$MnO$_{3}$. Three samples consisting of nanoparticles of different average particle sizes are…
Silver is an important light neutron-capture element whose stellar abundances help constrain the origin of the weak r-process. The Sun is an important reference point for such studies; moreover, being a moderately volatile element in CI…
Using Monte Carlo simulations we investigate some new aspects of the phase diagram and the behavior of the diffusion coefficient in an associating lattice gas (ALG) model on different regions of the phase diagram. The ALG model combines a…
First-principles calculations using density functional theory and two methods in comparison, Quantum ESPRESSO and Siesta, are done on large supercells which describe different placements of two identical adsorbed alkali metal atoms (of…
Solute segregation at low-angle grain boundaries (LAGBs) critically affects the microstructure and mechanical properties of magnesium (Mg) alloys. In modern alloys containing multiple substitutional elements, understanding solute-solute…
The angular substructures of particles produced in 208Pb at 158 A GeV/c and 197Au at 11.6 A GeV/c induced interactions with Ag(Br) nuclei in emulsion detector have been investigated. Nonstatistical ring-like substructures of produced…
Interfaces play a crucial role in energy transport at the nanoscale. However, direct experimental observations of interfacial thermal conductance across molecular junctions have remained challenging due to the high spatiotemporal resolution…
We present an approach to calculate the atomic bulk solubility in binary alloys based on the statistical-thermodynamic theory of dilute lattice gas. The model considers all the appropriate ground states of the alloy and results in a simple…
Understanding solid-liquid interfaces at the atomic-scale is key to improved performance of heterogeneous catalysts, electrodes and membranes. Here we combine unique specimen design, record atomic resolution in situ electron microscopy, and…
Rydberg-atom ensembles are switched from a weakly- into a strongly-interacting regime via adiabatic transformation of the atoms from an approximately non-polar into a highly dipolar quantum state. The resultant electric dipole-dipole forces…
Metastability and long-range interactions of Mg, Ca, and Sr in the lowest-energy metastable $^3P_2$ state are investigated. The calculated lifetimes are 38 minutes for Mg*, 118 minutes for Ca*, and 17 minutes for Sr*, supporting feasibility…
The first part of this article centers on the fact that key features of the dynamical response of weakly-correlated materials (the alkalis, Al), have been found experimentally to differ qualitatively from simple-model behavior. In the…
The possibility to directly measure, in a cold-atom quantum simulator, the von Neumann entropy and mutual information between a site and its environment opens new perspectives on the characterization of the Mott-Hubbard metal-insulator…
We study a quasi two dimensional dipolar gas at finite, but ultralow temperatures using the classical field approximation. The method, already used for a contact interacting gas, is extended here to samples with a weakly interacting…
We present the theory for retarded resonance interaction between two identical atoms at arbitrary positions near a metal surface. The dipole-dipole resonance interaction force that binds isotropically excited atom pairs together in free…