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Electromagnetic interference (EMI) for low-temperature detectors is a serious concern in many missions. We investigate the EMI caused by the spacecraft components to the x-ray microcalorimeter of the Resolve instrument onboard the X-Ray…
We investigate the physical mechanisms governing the continuous transition from the droplet-dominated to the ion-dominated regime in electrosprays of highly conducting liquids. We characterize electrosprays of four ionic liquids using…
We investigate the ground and low energy states of a one dimensional non local free energy functional describing at a mean field level a spin system with both ferromagnetic and antiferromagnetic interactions. In particular, the…
Distributed point charge models (DCM) and their minimal variants (MDCM) have been integrated with tools widely used for condensed-phase simulations, including a virial-based barostat and a slow-growth algorithm for thermodynamic…
A model of the collisional kinetics of energetic hydrogen atoms, molecules, and ions in pure H$_2$ discharges is used to predict H$_\alpha$ emission profiles and spatial distributions of emission from the cathode regions of low-pressure,…
The concept of the effective one-electron potentials (OEP) has been useful for many decades in efficient description of electronic structure of chemical systems, especially extended molecular aggregates such as interacting molecules in…
Electron beam energies in Transmission Electron Microscopes (TEMs) reach the relativistic realm constituting Quantum Electrodynamics (QED) the appropriate framework for the study of electron matter interaction in TEMs. We focus on the…
An Antisymmetrized Molecular Dynamics model is used to explore the collision of $^{114}$Cd projectiles with $^{92}$Mo target nuclei at E/A=50 MeV over a broad range in impact parameter. The atomic number (Z), velocity, and emission pattern…
Electron-defect ($e$-d) interactions govern charge carrier dynamics at low temperature, where they limit the carrier mobility and give rise to phenomena of broad relevance in condensed matter physics. Ab initio calculations of $e$-d…
Coherent control of individual atomic and molecular spins on surfaces has recently been demonstrated by using electron spin resonance (ESR) in a scanning tunneling microscope (STM). Here we present a combined experimental and modeling study…
The present paper intends to be a new study of a widely used precursor in nanostructure deposition and FEBID processes with a focus on its fragmentation at collisions with low-energy electrons. Newer developments in nanotechnology with…
The potential of mean-field decomposition techniques in interpreting electronic transitions in molecules is explored, particularly, the usefulness of these for offering computational signatures of different classes of such excitations. When…
Micro-Electro-Mechanical Systems (MEMS) normally have fixed or moving structures with cross-sections of the order of microns ($\mu m$) and lengths of the order of tens or hundreds of microns. These structures are often plates or array of…
The collisions in four different reaction systems using $^{40,48}$Ca and $^{58,64}$Ni isotope beams and a Be target have been simulated using the Heavy Ion Phase Space Exploration and the Antisymmetrized Molecular Dynamics models. The…
Global and local linear gyrokinetic simulations of 42 pedestal equilibria from three DIII-D discharges are used to investigate pedestal stability and its impact on pedestal structure and confinement. Microtearing modes (MTMs) and kinetic…
Empirical potential structure refinement (EPSR) simulations are performed on total neutron scattering data from powder samples of polytetrafluoroethylene (PTFE) and polychlorotrifluoroethylene (PCTFE), both at 300K. For PTFE a number of…
Accurate simulations of high-pressure transcritical fuel sprays are essential for the design and optimization of next-generation gas turbines, internal combustion engines, and liquid propellant rocket engines. Most important and challenging…
We present a numerical investigation of energy and charge distributions during electron-beam-induced growth of W nanostructures on SiO2 substrates using Monte Carlo simulation of electron transport. This study gives a quantitative insight…
Employing $\textit{ab-initio}$ density functional theory (DFT), we performed a systematic investigation of the electronic structures and the magnetic properties of atomic bilayers composed of a 4$d$ transition-metal layer (Rh, Pd and Ru)…
Electronic friction-Langevin dynamics (EF-LD) provides an efficient framework for capturing nonadiabatic effects at solid surfaces, with particular relevance to electrochemistry and molecular electronics. In this work, we investigate…