相关论文: Linear response separation of a solid into atomic …

A new approach to simulating warm and hot dense matter that combines density functional theory based calculations of the electronic structure to classical molecular dynamics simulations with pair interaction potentials is presented. The new…

Atomic nuclei are quantum many-body systems of protons and neutrons held together by strong nuclear forces. Under the proper conditions, nuclei can break into two (sometimes three) fragments which will subsequently decay by emitting…

Atomic nuclei can be spontaneously deformed into non-spherical shapes as many-nucleon systems. We discuss to what extent a similar deformation takes place in many-electron systems. To this end, we employ several many-body methods, such as…

We study a single incoherently pumped atom moving within an optical high-Q resonator in the strong coupling regime. Using a semiclassical description for the atom and field dynamics, we derive a closed system of differential equations to…

On the basis of general theoretical results developed previously in [I. M. Sokolov et al., J. Exp. Theor. Phys. 112, 246 (2011)], we analyze spontaneous decay of a single atom inside cold atomic clouds under conditions when the averaged…

Density functional calculations for metallic lithium along a cuboidal bcc-to-fcc transformation path demonstrate that the bcc phase is quasi-degenerate with the fcc phase with a very small activation barrier of 0.1~kJ/mol, but becomes the…

Passivating lithium ion battery electrode surfaces to prevent electrolyte decomposition is critical for battery operations. Recent work on conformal atomic layer deposition (ALD) coating of anodes and cathodes has shown significant…

Elucidating the atomic structure of liquid and glass is one of the important open questions in condensed matter physics. In the conventional bottom-up approach one starts with focusing on an atom and the short-range order of its neighboring…

We show numerically that the response of simple amorphous solids (elastic networks and particle packings) to a local force dipole is characterized by a lengthscale $\ell_c$ that diverges as unjamming is approached as $\ell_c \sim (z -…

Cold atoms, loaded into an optical lattice with double-well sites, are considered. Pseudospin representation for an effective Hamiltonian is derived. The system in equilibrium displays two phases, ordered and disordered. The second-order…

This work presents a combined experimental and theoretical investigation of the nuclear reaction $^{6}$Li + $^{12}$C at a laboratory energy of 68 MeV. The reaction products are identified via the standard $\Delta$E-E technique. Angular…

Light alkali metals have usually been considered as simple metals due to their monovalency and high conductivity. In these metals ionic pseudopotentials are weak and the nearly free electron model (NFE) becomes quite accurate at normal…

The long-range forces that act between three atoms are analysed in both atom-diatom and atom-atom-atom representations. Expressions for atom-diatom dispersion coefficients are obtained in terms of 3-body nonadditive coefficients. The…

Two charge- and current neutral plasma beams are modelled with a one-dimensional PIC simulation. The beams are uniform and unbounded. The relative speed between both beams is 0.4c. One beam is composed of electrons and protons and one out…

It has been suggested recently that growth and division of a protocell could be modeled by a chemically active droplet with simple chemical reactions driven by an external fuel supply. This model is called the continuum model. Indeed it's…

Linear-response quantum electrodynamical density functional theory (QEDFT) enables the description of molecular spectra under strong coupling to quantized photonic modes, such as those in optical cavities. Recently, this approach was…

The interaction between two-level systems (TLS) and strain fields in a solid is contained in the diagonal matrix element of the interaction hamiltonian, $\delta$, which, in general, has the expression $\delta=2[\gamma]:[S]$, with the tensor…

We consider collisional studies of linear polyatomic ions immersed in ultracold atomic gases and investigate the intermolecular interactions and chemical reactions of several molecular anions ($\mathrm{OH}^-$, $\mathrm{CN}^-$,…

Decomposition of atomic motion into individual normal modes has led to remarkable success in microscopically understanding thermal properties and thermodynamics in simple solids. We start this chapter with an example of decomposing atomic…

Differentiating structural evolution from structural development or formation opens many avenues of research. The study particularly advances the chemical and physical sciences, material science, energy science, and chemical engineering. By…