Related papers: Influence of atomic modeling on electron capture a…
Molecular dynamics using atomistic modeling is frequently used to unravel the mechanisms of macroion release from electrosprayed droplets. However, atomistic modeling is currently feasible for only the smallest window of droplet sizes…
We present a comprehensive investigation of electron capture (EC) ratios spanning a broad range of atomic numbers. The study employs a self-consistent computational method that incorporates electron screening, electron correlations, overlap…
The nuclear shell model has been perhaps the most important conceptual and computational paradigm for the understanding of the structure of atomic nuclei. While the shell model has been predominantly used in a phenomenological context,…
The elastic scattering of twisted electrons by neutral atoms is studied within the fully relativistic framework. The electron-atom interaction is taken into account in all orders, thus allowing us to explore high-order effects beyond the…
A theoretical description for the radial density profile of a finite number of identical charged particles confined in a harmonic trap is developed for application over a wide range of Coulomb coupling (or, equivalently, temperatures) and…
We introduce a shell-model theory that combines traditional spherical states, which yield a diagonal representation of the usual single-particle interaction, with collective configurations that track deformations, and test the validity of…
Electronic structure calculations are routinely carried out within the framework of density-functional theory, often with great success. For electrons in reduced dimensions, however, there is still a need for better approximations to the…
The detachment of material in an adhesive wear process is driven by a fracture mechanism which is controlled by a critical length-scale. Previous efforts in multi-asperity wear modeling have applied this microscopic process to rough elastic…
Atom probe tomography is often introduced as providing "atomic-scale" mapping of the composition of materials and as such is often exploited to analyse atomic neighbourhoods within a material. Yet quantifying the actual spatial performance…
Measurements of angular correlations between initial and final particles in $\beta$ decay remain one of the most promising ways of probing the Standard Model and looking for new physics. As experiments reach unprecedented precision well…
We present a new theory describing the variation of electron capture and bound-state $\beta$-decays in atomic ions and (non) local thermodynamic equilibrium ((N)LTE) plasmas. We adopt the Takahashi-Yokoi nuclear model with added corrections…
Numerical modeling of proton exchange membrane fuel cells is at the verge of becoming predictive. A crucial requisite for this, though, is that material properties of the membrane-electrode assembly and their functional dependence on the…
The accuracy of description of measured nuclear masses by presently used nuclear-mass models is studied. Twelve models of various kinds are considered, eleven of the global character and one local model specially adapted to description of…
The computational treatment of many-electron systems capable of exchanging {electrons and nuclei} with the environment represents one of the outermost frontiers in simulation methodology. The exchanging process occurs in a large variety of…
We review the recent literature on the simulation of the structure and deformation of amorphous glasses, including oxide and metallic glasses. We consider simulations at different length and time scales. At the nanometer scale, we review…
A single trapped ion interacting with laser light in a radiofrequency trap is considered by diagonalization of full Hamiltonian of the system in a suitable basis. The energies, eigenvectors, probabilities of finding the atom in the ground…
Magneto-optical traps are central to atomic and molecular quantum technologies and precision tests of fundamental physics, where both sensitivity and bandwidth scale strongly with atom number and loading rate. We demonstrate that employing…
Structural heterogeneity of amorphous solids present difficult challenges that stymie the prediction of plastic events, which are intimately connected to their mechanical behavior. Based on a perturbation analysis of the potential energy…
There have been suggestions to measure atomic parity nonconservation (PNC) along an isotopic chain, by taking ratios of observables in order to cancel complicated atomic structure effects. Precise atomic PNC measurements could make a…
Precision electroweak physics can provide fertile ground for uncovering new physics beyond the Standard Model (SM). One area in which new physics can appear is in so-called "oblique corrections", i.e., next-to-leading order expansions of…