Related papers: Normal mode decomposition of atomic motion in soli…

In this paper we present a modeling approach to bridge the atomistic with macroscopic scales in crystalline materials. The methodology combines identification and modeling of the controlling unit processes at microscopic level with the…

A general formulation is presented to derive the equation of motion and to demonstrate thermodynamic consistency for several classes of phase field models at once. It applies to models with a conserved phase field, describing either uniform…

We study experimentally and theoretically discrete solitons in crystalline structures consisting of several tens of laser-cooled ions confined in a radiofrequency trap. Resonantly exciting localized, spectrally gapped vibrational modes of…

We study alchemical atomic energy partitioning as a method to estimate atomisation energies from atomic contributions which are defined in physically rigorous and general ways through use of the uniform electron gas as a joint reference. We…

We propose a thermodynamically consistent general-purpose model describing diffusion of a solute or a fluid in a solid undergoing possible phase transformations and damage, beside possible visco-inelastic processes. Also heat…

A unification of characteristic mode decomposition for all method-of-moment formulations of field integral equations describing free-space scattering is derived. The work is based on an algebraic link between impedance and transition…

A multiphysics modeling approach for heat conduction in metal hydride powders is presented, including particle shape distribution, size distribution, granular packing structure, and effective thermal conductivity. A statistical geometric…

We studied the phononic heat transfer through an atomic dielectric wire with both infinite and finite lengths by using a model Hamiltonian approach. At low temperature under ballistic transport, the thermal conductance contributed by each…

Phonon hydrodynamics is an exotic phonon transport phenomenon that challenges the conventional understanding of diffusive phonon scattering in crystalline solids. It features a peculiar collective motion of phonons with various…

We demonstrate an efficient eigen-decomposition method for analyzing the guided modes in metal nanoparticle chains. The proposed method has the advantage of showing the dispersion relation and mode quality simultaneously. It can also…

The study of transverse optical pattern formation has been studied extensively in nonlinear optics, with a recent experimental interest in studying the phenomenon using cold atoms, which can undergo real-space self-organization. Here, we…

Vibrational spectra and normal modes of mechanically stable particle packings in three dimensions are analyzed over a range of compressions, from near the jamming transition, where the packings lose their rigidity, to far above it. At high…

Transverse pattern formation in an optical cavity containing a cloud of cold two-level atoms is discussed. We show that density modulation becomes the dominant mechanism as the atomic temperature is reduced. Indeed, for low but achievable…

We study the localization properties of normal modes in harmonic chains with mass and spring weak disorder. Using a perturbative approach, an expression for the localization length is obtained, which is valid for arbitrary correlations of…

The energy-level structure of a single atom strongly coupled to the mode of a high-finesse optical cavity is investigated. The atom is stored in an intracavity dipole trap and cavity cooling is used to compensate for inevitable heating. Two…

Advances in machine learning have led to the development of foundation models for atomistic materials chemistry, enabling quantum-accurate descriptions of interatomic forces across chemically diverse compounds at reduced computational cost.…

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…

Thermal transport in solids changes its nature from phonon propagation that suffers from perturbative scattering to thermally activated hops between localized vibrational modes as the level of disorder increases. Models have been proposed…

We study the realization of lattice models, where cold atoms and molecules move as extra particles in a dipolar crystal of trapped polar molecules. The crystal is a self-assembled floating mesoscopic lattice structure with quantum dynamics…

Our direct atomic simulations reveal that a thermally activated phonon mode involves a large population of elastic wavepackets. These excitations are characterized by a wide distribution of lifetimes and coherence times expressing particle-…