相关论文: Understanding polyethylene surface functionalizati…
In this work we present some results of the treatment of polydimethylsiloxane (PDMS) surfaces using pulsed dielectric barrier discharge plasmas. The results of plasma treatment using different gases and mixtures, argon, argon plus water…
A comprehensive phase diagram of lowest-energy structures and compositions of the rutile TiO_2(110) surface in equilibrium with a surrounding gas phase at finite temperatures and pressures has been determined using density functional theory…
Optical emission spectroscopy applied to non-equilibrium plasmas in molecular gases can give important information on basic plasma parameters, including the rotational, vibrational temperatures and densities of the investigated radiative…
The effect of thermal annealing on wurtzite ZnO, terminated by two surfaces, (0 0 0 $\bar 1$) (which is oxygen-terminated) and (0 0 0 1) (which is Zn-terminated), is investigated via molecular dynamics simulation using reactive force field…
The atmospheric plasma is regarded as an effective method for surface treatments because it can reduce the period of process and does not need expensive vacuum apparatus. The performance of non-transferred plasma torches is significantly…
Under the low density and high temperature conditions typical of heliospheric plasmas, the macroscopic evolution of the heliosphere is strongly affected by the kinetic plasma physics governing fundamental microphysical mechanisms. Kinetic…
Plasma electrolytic oxidation (PEO) processing of EV 31 magnesium alloy has been carried out in fluoride containing electrolyte under bipolar pulse current regime. Unusual PEO cathodic micro-discharges have been observed and investigated.…
The generation of electron surface oscillations in overdense plasmas irradiated at normal incidence by an intense laser pulse is investigated. Two-dimensional (2D) particle-in-cell simulations show a transition from a planar, electrostatic…
In this work simulations are presented of low viscosity ethanol and high viscosity silicone oil droplets impacting on a dry solid surface at atmospheric and reduced ambient pressure. The simulations are able to capture both the effect of…
A local turbulence model is developed to study energy cascades in the heliosheath and outer heliosphere (OH) based on self-consistent two-dimensional fluid simulations. The model describes a partially ionized magnetofluid OH that couples a…
The high-temperature atom exchange and dissociation reaction dynamics of the O($^3$P) + O$_2(^3\Sigma_g^{-} )$ system are investigated based on a new reproducing kernel-based representation of high-level multi-reference configuration…
A review of the theoretical and computational aspects of plasma-wall transition is presented. The conditions for the existence of plasma sheaths in front of a solid surface are established. Various regimes are analyzed -collisionless and…
We use multi-scale modeling to analyze laser-induced fluorescence (LIF) measurements of the CO oxidation reaction over Pd(100) at near-ambient reaction conditions. Integrating density-functional theory based kinetic Monte Carlo simulations…
To help provide insight into the remarkable catalytic behavior of the oxygen/silver system for heterogeneous oxidation reactions, purely sub-surface oxygen, and structures involving both on-surface and sub-surface oxygen, as well as…
Heating and ionization are among the most fundamental processes in relativistic laser--solid interactions; however, their spatiotemporal evolution remains challenging to capture experimentally. Here we present detailed diagnosis of…
Understanding the atomic mechanism of low-temperature CO oxidation on a heterogeneous catalyst is challenging. We performed density functional theory (DFT) calculations to identify the surface structure and reaction mechanism responsible…
The goals of discovering quantum radiation dynamics in high-intensity laser-plasma interactions and engineering new laser-driven high-energy particle sources both require accurate and robust predictions. Experiments rely on particle-in-cell…
Radio frequency driven plasma jets are frequently employed as efficient plasma sources for surface modification and other processes at atmospheric pressure. The radio-frequency driven micro atmospheric pressure plasma jet ($\mu$APPJ) is a…
We present first-principles kinetic Monte Carlo (1p-kMC) simulations addressing the CO oxidation reaction at Pd(100) for gas-phase conditions ranging from ultra-high vacuum (UHV) to ambient pressures and elevated temperatures. For the…
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,…