Related papers: Dynamic coupling between particle-in-cell and atom…
Time-resolved photoemission spectroscopy provides a unique and direct way to explore the real-time nonequilibrium dynamics of electrons and holes. The formal theory of the spectral function evolution requires inclusion of electronic…
The present work addresses the simulation of pore emptying during the drying of battery electrodes. For this purpose, a model based on the multiphase-field method (MPF) is used, since it is an established approach for modeling and…
Strong non-relativistic shocks are known to accelerate particles up to relativistic energies. However, for Diffusive Shock Acceleration electrons must have a highly suprathermal energy, implying a need for very efficient pre-acceleration.…
Atomistic-continuum multiscale modelling is becoming an increasingly popular tool for simulating the behaviour of materials due to its computational efficiency and reliable accuracy. In the case of ferromagnetic materials, the atomistic…
We theoretically investigate the interaction of moderate intensity near-infrared few cycle laser pulses with nano-scale metal tips. Local field enhancement in a nanometric region around the tip apex triggers coherent electron emission on…
Numerical simulation of a relativistic runaway electron breakdown in the upper atmosphere is performed using GEANT4 simulation toolkit. General features of a relativistic runaway electron avalanche are reconstructed and properties of…
We examine electron-electron mediated relaxation following excitation of a correlated system by an ultrafast electric field pump pulse. The results reveal a dichotomy in the temporal evolution as one tunes through a Mott metal-to-insulator…
Massively-parallel molecular dynamics simulation is applied to systems containing electrolytes, vapour-liquid interfaces, and biomolecules in contact with water-oil interfaces. Novel molecular models of alkali halide salts are presented and…
Validity of fluid models breaks down for non-thermal or weakly collisional plasmas which often occur e.g. in the solar wind. In these regimes one has to resort to modelling through the first-principle Vlasov-Maxwell system, but its…
Large molecular dynamics simulations (millions of atoms, tens of microseconds, thousands of processors) hit the strong scalability wall: simulation on twice as many processors does not take half the time. Inspired by large N-body space…
We perform fully-kinetic particle-in-cell simulations of an hot plasma that expands radially in a cylindrical geometry. The aim of the paper is to study the consequent development of the electron temperature anisotropy in an expanding…
We present a method to sample reactive pathways via biased molecular dynamics simulations in trajectory space. We show that the use of enhanced sampling techniques enables unconstrained exploration of multiple reaction routes. Time…
An implicit coupling framework between hypersonic nonequilibrium flows and material thermal response is proposed for the numerical simulation of ablative thermal protection materials during its flight trajectory. Charring ablative…
We investigate by molecular dynamics simulations [arXiv:1412.4537 [physics.plasm-ph], arXiv:1608.06789 [physics.plasm-ph]] a beam of electrons released via field emission from a planar cathode surface of 1 ${\rm \mu m}^2$ with an…
Electron heating in an ultracold neutral plasma is modeled using classical molecular dynamics simulations in the presence of an externally applied magnetic field. A sufficiently strong magnetic field is found to reduce disorder induced…
We present a practical approach to treat static and dynamical correlation accurately in large multi-configurational systems. The static correlation is accounted for using the spin-flip approach which is well known for capturing static…
The finite element simulation of dynamic wetting phenomena, requiring the computation of flow in a domain confined by intersecting a liquid-fluid free surface and a liquid-solid interface, with the three-phase contact line moving across the…
A mathematical model has been developed to simulate the kinetic and thermal behaviour of a porous solid pellet undergoing chemical reaction with a gas. The model describes the chemical reaction itself, the transfer of the gaseous species…
The escape phenomenon, mainly caused by thermal effects, is known as an obstacle to the further practical application of optical levitation system in vacuum. Irregular photophoresis induced by thermal effects can act as an amplifier of…
The confined, quasi-two-dimensional guiding center plasma and a system of interacting line vortices in an ideal fluid are examples of Hamiltonian systems with infinite interaction distances. The existence of metastable states with negative…