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Molecular dynamics simulations of water, liquid beryllium fluoride and silica melt are used to study the accuracy with which the entropy of ionic and molecular liquids can be estimated from atom-atom radial distribution function data. All…
Solid polymer electrolytes are considered a promising alternative to traditional liquid electrolytes in energy storage applications because of their good mechanical properties, and excellent thermal and chemical stability. A gap, however,…
This work constructs an advanced force field, the Completely Multipolar Model (CMM), to quantitatively reproduce each term of an energy decomposition analysis (EDA) for aqueous solvated alkali metal cations and halide anions and their ion…
Thin liquid films with floating active protein machines are considered. Cyclic mechanical motions within the machines, representing microscopic swimmers, lead to molecular propulsion forces applied to the air-liquid interface. We show that,…
Strongly interacting spins underlie many intriguing phenomena and applications ranging from magnetism to quantum information processing. Interacting spins combined with motion display exotic spin transport phenomena, such as superfluidity…
Photoionization of the rubidium (Rb) atoms cooled in a magneto-optical trap, characterized by the coexistence of the ground 5$S_{1/2}$ and the excited 5$P_{3/2}$ states, is investigated experimentally and theoretically with the 400 nm…
The remarkable single particle control of individual ions combined with the versatility of ultracold atomic gases makes hybrid ion-atom system an exciting new platform for quantum simulation of few- and many-body quantum physics. Here, we…
Using collision driven discrete molecular dynamics (DMD), we investigate the thermodynamics and dynamics of systems of 500 dumbbell molecules interacting by a purely repulsive ramp-like discretized potential, consisting of $n$ steps of…
An electric charge near the surface of a topological insulator (TI) induces an image magnetic monopole. Here we study the spectra of hydrogenlike ions near the surface of a planar TI, taking into account the modifications which arise due to…
The gating effect achieved by an ionic liquid and its electric double layer allows for charge transfer which can be an order of magnitude larger than with conventional dielectrics. However, the large charged ions also causes inevitable…
It is shown that the translational degrees of freedom of a large variety of molecules, from light diatomic to heavy organic ones, can be cooled sympathetically and brought to rest (crystallized) in a linear Paul trap. The method relies on…
Li$_{10}$Ge(PS$_6$)$_2$ (LGPS) is a highly concentrated solid electrolyte, in which Coulombic repulsion between neighboring cations is hypothesized as the underlying reason for concerted ion hopping, a mechanism common among superionic…
Ultra-cold atom-ion mixtures are gaining increasing interest due to their potential applications in quantum chemistry, quantum computing and many-body physics. Here, we studied the dynamics of a single ground-state cooled ion during few, to…
Among the distinctive structural features of lithium ionic liquids (LILs), a novel class of single-component electrolytes, the variation of the electron-withdrawing group stands out as a key factor in determining their dynamics. To…
Reliable force field (FF) is a central issue in successful prediction of physical chemical properties via computer simulations.
High energy particles' behavior including fusion born alpha particles in an ITER like tokamak in the presence of background driftwave turbulence is investigated by an orbit following calculation. The background turbulence is given by the…
Molten salts are important in a number of energy applications, but the fundamental mechanisms operating in ionic liquids are poorly understood, particularly at higher temperatures. This is despite their candidacy for deployment in solar…
Criticality in a fluid of dielectric constant D that exhibits Ising-type behavior is studied as additional electrostatic (i.e., ionic) interactions are turned on. An exploratory perturbative calculation is performed for small ionicity as…
We present 1X2V continuum Vlasov-Maxwell simulations of interpenetrating plasma beams with mobile ions. While the early-time evolution is similar to the stationary-ion case, the late-time dynamics are dominated by the ion-Weibel…
We develop the recently proposed analytical R-matrix (ARM) method to encompass strong field ionisation by circularly polarised fields, for atoms with arbitrary binding potentials. Through ARM, the effect of the potential can now be included…