相关论文: Chemical and nuclear catalysis driven by localized…
Simulating large scale lattice dynamics directly is computationally demanding due to the high complexity involved, yet such simulations are crucial for understanding the mechanical and thermal properties of many physical systems. In this…
We investigate laser-driven vibronic transitions of a single two-level atomic ion in harmonic and hard wall traps. In the Lamb-Dicke regime, for tuned or detuned lasers with respect to the internal frequency of the ion, and weak or strong…
Magnetized turbulence and magnetic reconnection are often invoked to explain the nonthermal emission observed from a wide variety of astrophysical sources. By means of fully-kinetic 2D and 3D PIC simulations, we investigate the interplay…
The one-loop quantum corrections to the internal energy of some lattices due to the quantum fluctuations of the scalar field of phonons are studied. The band spectrum of the lattice is characterised in terms of the scattering data, allowing…
Hot-atoms reactions mechanisms bring about reaction rates which are several orders of magnitude higher than those expected in the case of ad-atoms which have thermalized with the surface. This paper addresses the issue of a possible…
Understanding the coupling between structural phase transitions and thermal transport is essential for designing functional materials with tunable properties. Here, we investigate this interplay in CaSnF$_6$ by combining first-principles…
We present a unifying framework that allows us to study the mixed crystalline-electromagnetic responses of topological semimetals in spatial dimensions up to $D = 3$ through dimensional augmentation and reduction procedures. We show how…
Local kinetic and chemical equilibration is studied for Au+Au collisions at 10.7 AGeV in the microscopic Ultrarelativistic Quantum Molecular Dynamics model (UrQMD). The UrQMD model exhibits dramatic deviations from equilibrium during the…
Classical atomistic simulations based on interatomic potentials resolve lattice instabilities, defect nucleation, and microstructure evolution with high fidelity, but their accessible system sizes remain far below those required for…
LaAgSb$_{2}$ is a rare material, which offers the opportunity to investigate the complex interplay between charge density wave (CDW) ordering and topology protected electronic band structure. As both of these phenomena are governed by the…
We present the noise free escape of a chain of linearly interacting units from a metastable state over a cubic on-site potential barrier. The underlying dynamics is conservative and purely deterministic. The mutual interplay between…
Understanding the realization of thermal equilibrium through the thermalization process in a many-body system is a fundamental and complex scientific question, bridging thermodynamics and classical dynamics and connecting to a host of…
We introduce a general approach for the simulation of quantum vibrational states of (symmetric and asymmetric) double-well potentials in molecules and materials for thermodynamic and spectroscopic applications. The method involves solving…
We describe low-lying collective excitations of atomic nuclei with the multi-reference covariant density functional theory, and combine them with coupled-channels calculations for heavy-ion fusion reactions at energies around the Coulomb…
We investigate whether making the friction spatially dependent on the reaction coordinate introduces quantum effects into the thermal reaction rates for dissipative reactions. Quantum rates are calculated using the numerically exact…
In conventional nuclear experiments a beam of accelerated nuclei collides with a target nucleus that is surrounded by other nuclei in a molecule, in condensed matter, or in a plasma environment. It is shown that for low collision energies…
We investigate the energy relaxation process produced by thermal baths at zero temperature acting on the boundary atoms of chains of classical anharmonic oscillators. Time-dependent perturbation theory allows us to obtain an explicit…
Numerical simulation of plasma turbulence in the Large Plasma Device (LAPD) [Gekelman et al, Rev. Sci. Inst., 62, 2875, 1991] is presented. The model, implemented in the BOUndary Turbulence (BOUT) code [M. Umansky et al, Contrib. Plasma…
Recent breakthroughs in the experimental manipulation of strongly interacting atomic Rydberg gases in lattice potentials have opened a new avenue for the study of many-body phenomena. Considerable efforts are currently being undertaken to…
We use a lattice Boltzmann method to study pattern formation in chemically reactive binary fluids in the regime where hydrodynamic effects are important. The coupled equations solved by the method are a Cahn-Hilliard equation, modified by…