相关论文: Mixed-valence correlations in charge-transferring …
The extension of the first-principles generalized pseudopotential theory (GPT) to transition-metal (TM) aluminides produces pair and many-body interactions that allow efficient calculations of total energies. In aluminum-rich systems…
Electron capture processes for low energy Ar9+ ions colliding on Ar2 dimer targets are investigated, focusing attention on charge sharing as a function of molecule orientation and impact parameter. A preference in charge-asymmetric…
Thermodynamics analysis of oxidation-reduction reactions between metal melt and slag (1) provides answers to certain practical issues such as the path of specific chemical reactions, final (equilibrium) phase composition, and the elements…
A recent and unexpected discrepancy between \textit{ab initio} simulations and the interpretation of a laser shock experiment on aluminum, probed by X-ray Thomson scattering (XRTS), is addressed. The ion-ion structure factor deduced from…
In this paper we investigate a novel set of polarizing agents -- mixed-valence compounds -- by theoretical and experimental methods and demonstrate their performance in high-field Dynamic Nuclear Polarization (DNP) experiments in the solid…
Metallic strontium titanate (SrTiO$_3$) is known to have both normal-state and superconducting properties that vary strongly over a wide range of charge carrier densities. This indicates the importance of nonlinear dynamics, and has…
We study the influence of atomic interactions on quantum simulations in momentum-space lattices (MSLs), where driven atomic transitions between discrete momentum states mimic transport between sites of a synthetic lattice. Low energy atomic…
The impact of lossy multi-layer structures on nonequilibrium atom-surface interactions is discussed. Specifically, the focus lies on a fully non-Markovian and nonequilibrium description of quantum friction, the fluctuation-induced drag…
Excitation and charge transfer in low-energy O+H collisions is studied; it is a problem of importance for modelling stellar spectra and obtaining accurate oxygen abundances in late-type stars including the Sun. The collisions have been…
Electrical image potentials near a metallic or a dielectric wall of higher dielectric constant than that of the solution are attractive, and therefore, can concentrate salt ions near the wall. It has recently been observed that near a…
Monte Carlo simulations have been performed for aqueous charged colloidal suspensions as a function of charge density on the particles and salt concentration. We vary the charge density in our simulations over a range where a reentrant…
Conventional lithium-ion batteries, and many next-generation technologies, rely on organic electrolytes with multiple solvents to achieve the desired physicochemical and interfacial properties. The complex interplay between these properties…
Random spin-exchange collisions in warm alkali vapor cause rapid decoherence and act to equilibriate the spin state of the atoms. In contrast, here we demonstrate experimentally and theoretically a coherent coupling of one alkali specie to…
We study ultracold atom-ion collisions in the presence of an external magnetic field. At low collision energy the field can drastically modify the translational motion of the ion, which follows quantized cyclotron orbits. We present a…
The state of electrons injected onto the surface of the Fermi sea depends on temperature. The state is pure at zero temperature and is mixed at finite temperature. In the case of a single-electron injection, such a transformation can be…
Non-contact friction forces are exerted on physical systems through dissipative processes, when the two systems are not in physical contact with each other, or, in quantum mechanical terms, when the overlap of their wave functions is…
A series of density functional theory (DFT) simulations was performed to investigate the approach, contact, and subsequent separation of two atomically flat surfaces consisting of different materials. Aluminum (Al) and titanium nitride…
We investigate elastic, inelastic, and coalescent collisions between two-dimensional flat-top solitons supported by the cubic-quintic nonlinear Schr\"odinger equation. Numerical simulations reveal distinct collision regimes ranging from…
Neutron star surfaces and atmospheres are unique environments that sustain the largest-known magnetic fields in the universe. Our knowledge of neutron star material properties, including the composition and equation of state, remains highly…
We calculate the light-induced collisional loss of laser-cooled and trapped magnesium atoms for detunings up to 50 atomic linewidths to the red of the ^1S_0-^1P_1 cooling transition. We evaluate loss rate coefficients due to both radiative…