Related papers: Dynamic coupling between particle-in-cell and atom…
In this perspective, we discuss how one can initiate, image, and disentangle the ultrafast elementary steps of thermal-energy chemical dynamics, building upon advances in technology and scientific insight. We propose that combinations of…
Molecular dynamics simulations are a powerful tool to study diffusion processes in battery electrolyte and electrode materials. From a single molecular dynamics simulation many properties relevant to diffusion can be obtained, including the…
We review a selection of methods for performing enhanced sampling in molecular dynamics simulations. We consider methods based on collective variable biasing and on tempering, and offer both historical and contemporary perspectives. In…
The dynamics of electric field generation and radial acceleration of ions by a laser pulse of relativistic intensity propagating in an underdense plasma has been investigated using an one-dimensional electrostatic, ponderomotive model…
In analogy to high-energy nuclear scattering experiments, we study a real-time scattering process between a propagating state and a dense target in $1+1$-d massive QED. In our setup, we identify three distinct regimes that qualitatively…
Injection from metallic electrodes serves as a main channel of charge generation in organic semiconducting devices and the quantum effect is normally regarded to be essential. We develop a dynamic approach based upon the surface hopping…
Plasma jets produced by direct-current (DC) non-transferred arc plasma torches, at the core of technologies ranging from spray coating to pyrolysis, present intricate dynamics due to the coupled interaction of fluid flow, thermal, and…
We self-consistently derive a formalism that couples a Phase Field Crystal (PFC) density field to thermal transport. It yields a theory for non-uniform transient temperature and density evolution, and includes local latent heat release…
We present an embedding technique for metallic systems that makes it possible to model energy dissipation into substrate phonons during surface chemical reactions from first principles. The separation of chemical and elastic contributions…
The holy grail of ion-neutral systems is reaching the s-wave scattering regime. However, most of these systems have a fundamental lower collision energy limit which is higher than this s-wave regime. This limit arises from the…
Particle-in-Cell (PIC) method is a powerful plasma simulation tool for investigating high-intensity femtosecond laser-matter interaction. However, its simulation capability at high-density plasmas around the Fermi temperature is considered…
Biological cells utilize membranes and liquid-like droplets, known as biomolecular condensates, to structure their interior. The interaction of droplets and membranes, despite being involved in several key biological processes, is so far…
We present an evaporative cooling technique for atoms trapped in an optical dipole trap that benefits from narrow optical transitions. For an appropriate choice of wavelength and polarization, a single laser beam leads to opposite…
We propose a method of describing a phase transition in a cell fluid model with pair interaction potential that includes repulsive and attractive parts. An exact representation of the grand partition function of this model is obtained in…
We study thermal emission of a cavity quantum electrodynamic system in the ultrastrong-coupling regime where the atom-cavity coupling rate becomes comparable the cavity resonance frequency. In this regime, the standard descriptions of…
The modeling and simulation of heat source trajectories through phase-change materials is a relevant problem both for space exploration and for terrestrial climate research, among other fields. In space, the DLR and NASA are both interested…
The safe operation of tokamak reactors requires a reliable modeling capability of disruptions, and in particular the spatio-temporal dynamics of associated runaway electron currents. In a disruption, instabilities can break up magnetic…
We discuss the coupling of the motion of two ion species in separate Penning traps via a common tank circuit. The enhancement of the coupling assisted by the tank circuit is demonstrated by an avoided crossing behavior measurement of the…
High-energy astrophysical systems frequently contain collisionless relativistic plasmas that are heated by turbulent cascades and cooled by emission of radiation. Understanding the nature of this radiative turbulence is a frontier of…
Rigorous computer simulations of propagating electromagnetic fields have become an important tool for optical metrology and optics design of nanostructured components. As has been shown in previous benchmarks some of the presently used…