Related papers: Molecular Dynamics Study of Polarization Effects o…
Despite decades of study, the identity of the dominant \ce{Li+}-conducting phase within the inorganic SEI of Li-ion batteries remains unresolved. While the mosaic model describes LiF/\ce{Li2O}/\ce{Li2CO3} nanocrystallites within a…
A fit of the experimental data to the total cross section of the process $\gamma\gamma->\pi^+\pi^-$ in the energy region from threshold to 2500 MeV has been carried out using dispersion relations with subtractions for the invariant…
We introduce a simple and efficient model to describe the potential energy surface of lithium diffusing in a solid-state ionic conductor. First, we assume that the Li atoms are fully ionized and we neglect the weak dependence of the…
We present a theory of local electric polarization in crystalline solids and apply it to study the case of wurtzite group-III nitrides. We show that a local value of the electric polarization, evaluated at the atomic sites, can be cast in…
We discuss a new technique of studying magnetic fields in diffuse astrophysical media, e.g. interstellar and intergalactic gas/plasma. This technique is based on the angular momentum alignment of atoms and ions in their ground or metastable…
Polar molecules are desirable systems for quantum simulations and cold chemistry. Molecular ions are easily trapped, but a bias electric field applied to polarize them tends to accelerate them out of the trap. We present a general solution…
We theoretically study frustrated double ionization (FDI) of atoms subjected to intense circularly polarized laser pulses using a three-dimensional classical model. We find a novel "knee" structure of FDI probability as a function of…
Lifshitz points (LPs) are multicritical points where ordered, disordered, and patterned phases meet. Originally studied in equilibrium magnetic systems, LPs have since been identified in soft matter and even cosmological settings. Their…
Solid-state ion conductors (SSICs) have emerged as a promising material class for electrochemical storage devices and novel compounds of this kind are continuously being discovered. High-throughout approaches that enable a rapid screening…
Molecular dynamics simulation study based on the EAM potential is carried out to investigate the effect of pressure on the rapid solidification of Aluminum. The radial distribution function is used to characterize the structure of the Al…
We simulate decaying turbulence in a homogeneous pair plasma using three dimensional electromagnetic particle-in-cell (PIC) method. A uniform background magnetic field permeates the plasma such that the magnetic pressure is three times…
We apply the atom-atom potentials to molecular crystals of iron (II) complexes with bulky organic ligands. The crystals under study are formed by low-spin or high-spin molecules of Fe(phen)$_{2}$(NCS)$_{2}$ (phen = 1,10-phenanthroline),…
Neutral and singly ionized states of the Magnesium (Mg) are the origin of several spectral lines that are useful for solar diagnostic purposes. An important element in modeling such solar lines is collisional data of the Mg with different…
The local environment of metal-oxide supported single-atom catalysts plays a decisive role in the surface reactivity and related catalytic properties. The study of such systems is complicated by the presence of point defects on the surface,…
We analyze how bound-state excitation, electron exchange and the residual binding potential influence above-threshold ionization (ATI) in Helium prepared in an excited $p$ state, oriented parallel and perpendicular to a linearly polarized…
When mobile impurities are introduced and coupled to a Fermi sea, new quasiparticles known as Fermi polarons are formed. There are two interesting, yet drastically different regimes of the Fermi polaron problem: (I) the attractive polaron…
A novel integral equations approach is applied for studying ion pairing in the restricted primitive model (RPM) electrolyte, i. e., the three point extension (TPE) to the Ornstein-Zernike integral equations. In the TPE approach, the…
When an electron or a hole is added into an orbital of an adsorbed molecule the substrate electrons will rearrange in order to screen the added charge. This results in a reduction of the electron addition/removal energies as compared to the…
Simulations of the generation of the atomic polarization is necessary for interpreting the second solar spectrum. For this purpose, it is important to rigorously determine the effects of the isotropic collisions with neutral hydrogen on the…
High-sensitivity measurements of the linearly-polarized solar limb spectrum produced by scattering processes in quiet regions of the solar atmosphere showed that the Q/I profile of the lithium doublet at 6708 A has an amplitude ~10^{-4} and…