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We calculate the dielectric response of crystalline silicon following irradiation by a high-intensity laser pulse, modeling the dynamics by time-dependent density functional theory (TDDFT). The pump-probe measurements are numerically…
We calculate the electron excitation in cubic silicon carbide (3C-SiC) caused by the intense femtosecond laser double pulses using time-dependent density functional theory (TDDFT). We assume the electron distributions in the valence band…
Nanocellular polyetherimide exhibits significant improvements in mechanical properties like toughness and impact resistance, commonly associated with the presence of nanoporosity. However, this work demonstrates these enhancements, often…
Plasma technology has undeniably revolutionized industrial processes in recent decades. Atmospheric pressure plasma (APP) has emerged as a prominent and widely applicable tool in various scientific disciplines. Notably, plasma-assisted flow…
We apply first principles computational techniques to analyze the two-electron, multi-step, electrochemical reduction of CO2 to CO in water using cobalt porphyrin as a catalyst. Density Functional Theory calculations with hybrid functionals…
Plasma chemistry of main air components is implemented in a hybrid 2D axisymmetric simulation code to assess the air-breathing concept in an electrodeless plasma thruster. Relevant electron-heavy species collisions for diatomic molecules…
The CO_{2} electro-reduction reaction (CORR) is a promising avenue to convert greenhouse gases into high-value fuels and chemicals, in addition to being an attractive method for storing intermittent renewable energy. Although…
The plasma dry reforming reaction of methane with carbon dioxide is investigated in a nanosecond repetitively pulsed discharge, a type of plasma that offers one of the highest non-equilibrium and performance characteristics. The…
An axial flow cooling fan has been designed for use in a concentrated solar power plant. The plant is based on a supercritical carbon dioxide (sCO2) Brayton cycle, and uses a forced draft air-cooled heat exchanger (ACHE) for cooling. The…
This work reports an efficient density-fitting implementation of the density-based basis-set correction (DBBSC) method in the MOLPRO software. This method consists in correcting the energy calculated by a wave-function method with a given…
The Dielectric Barrier Discharge (DBD) micro-plasma actuator stands out as a highly promising tool for active fluid flow control. Researchers specializing in flow control have taken a keen interest in this actuator due to its economical…
We investigate thermally excited, dipolar Bose-Einstein condensates. Quasi-particle excitations of the atomic cloud cause density fluctuations which can induce the collapse of the condensate if the inter-particle interaction is attractive.…
The effect of changing the driving frequency on the plasma density and the electron dynamics in a capacitive radio-frequency argon plasma operated at low pressures of a few Pa is investigated by Particle in Cell/Monte Carlo Collisions…
Numerical simulations of plasma flow induced by dielectric barrier discharge plasma actuators (DBD-PA) are conducted with two different body-force models: Suzen-Huang (S-H) model and drift-diffusion (D-D) model. The induced flow generated…
Very high frequency (VHF) driven capacitive discharges are now being increasingly adopted for plasma-based materials processing due to their high processing rates and lower substrate damage. Past studies related to complex plasma dynamics…
The switchable optical and electrical properties of phase change materials (PCMs) are finding new applications beyond data storage in reconfigurable photonic devices. However, high power heat pulses are needed to melt-quench the material…
Vacuum electrical breakdowns, also known as vacuum arcs, are a limiting factor in many devices that are based on application of high electric fields near their component surfaces. Understanding of processes that lead to breakdown events may…
The use of CO2 as a natural refrigerant in data center cooling, oil recovery and in CO2 capture and storage which is gaining traction in recent years involves heat transfer between CO2 and the base fluid. A need arises to improve the…
We investigate the effect of particle volume fraction on the efficiency of deterministic lateral displacement (DLD) devices. DLD is a popular passive sorting technique for microfluidic applications. Yet, it has been designed for treating…
The dynamics of an argon plasma in the gap of a thermionic diode is investigated using particle-in-cell (PIC) simulations. The time-averaged diode current, as a function of the relative electrical potential between the electrodes, is…