相关论文: Mixed-valence correlations in charge-transferring …

Motivated by experimental evidence for mixed-valence correlations affecting the neutralization of strontium ions on gold surfaces we set up an Anderson-Newns model for the Sr:Au system and calculate the neutralization probability $\alpha$…

We propose a modification of the embedded-atom method-type potential aiming at reconciling simulated melting and ground-state properties of metals by means of classical molecular dynamics. Considering titanium, magnesium, gold, and platinum…

Context: Mutual neutralization between cations and anions play an important role in determining the charge-balance in certain astrophysical environments. However, empirical data for such reactions involving complex molecular species has…

We study the interaction between two neutral plane-parallel dielectric bodies in the presence of a highly asymmetric ionic fluid, containing multivalent as well as monovalent (salt) ions. Image charge interactions, due to dielectric…

Atomistic simulations were carried out to analyze the interaction between $< a>$ basal dislocations and precipitates in Mg-Al alloys and the associated strengthening mechanisms.

We formulate a lattice Hamiltonian model for intermediate energy heavy ion collisions. Our approach incorporates a momentum-dependent nuclear mean field that yields an optical potential that agrees with proton-nucleus experiments and that…

We use quantum scattering methods to calculate the light-induced collisional loss of laser-cooled and trapped magnesium atoms for detunings up to 30 atomic linewidths to the red of the 1S_0-1P_1 cooling transition. Magnesium has no…

We perform molecular dynamics simulations driven by accurate Quantum Monte Carlo forces on dense liquid hydrogen. Recently it has been reported a complete atomization transition between a mixed-atomic liquid and a completely dissociated…

Atomic-scale junctions are a powerful tool to study quantum transport, and are frequently examined through the mechanically controllable break junction technique (MCBJ). The junction-to-junction variation of atomic configurations often…

Understanding the response of the surface of metallic solids to external electric field sources is crucial to characterize electrode-electrolyte interfaces. Continuum electrostatics offer a simple description of the induced charge density…

Data for inelastic processes due to hydrogen atom collisions with manganese and titanium are needed for accurate modeling of the corresponding spectra in late-type stars. In this work excitation and charge transfer in low-energy Mn+H and…

We consider proton-nucleus collisions at high energy in the Color Glass Condensate framework, and extract from the gluon production cross-section the probabilities of having a definite number of multiple scatterings in the nucleus. Various…

Events from alpha interactions on the surfaces of germanium detectors are a major contribution to the background in germanium-based searches for neutrinoless double-beta decay. Surface events are subject to charge trapping, affecting their…

A collision of two-component Bose-Einstein condensates in the presence of Raman coupling is proposed and studied by numerical simulations. Raman transitions are found to be able to reduce collision-produced irregular excitations by forming…

We have developed Monte Carlo wave function simulation schemes to study cold collisions between magnesium atoms in a strong red-detuned laser field. In order to address the strong-field problem, we extend the Monte Carlo wave function…

We present general guidelines for finding solid-state systems that could serve as coherent electron spin-photon interfaces even at relatively high temperatures, where phonons are abundant but cooling is easier, and show that transition…

The electronic properties of the Mn:GaSe interface, produced by evaporating Mn at room temperature on an epsilon-GaSe(0001) single crystal surface, have been studied by soft X-ray spectroscopies. Substitutional effects of Mn replacing Ga…

Using grand-canonical Monte Carlo simulations we investigate the impact of charged walls on the crystallization properties of charged colloidal suspensions confined between these walls. The investigations are based on an effective model…

We study how the radiative properties of a dense ensemble of atoms can be modified when they are placed near or between metallic or dielectric surfaces. If the average separation between the atoms is comparable or smaller than the…

Rydberg alkaline earth atoms are promising tools for quantum simulation and metrology. When one of the two valence electrons is promoted to long-lived circular states, the second valence electron can be optically manipulated without…