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We reveal the hydrogen isotope effect of three chemical reactions, i.e, the reflection, the absorption and the penetration ratios, by classical molecular dynamics simulation with a modified Brenner's reactive empirical bond order (REBO)…
Calculations of the lowest valence {\pi}* as well as the 3s and higher energy 3p{\sigma} Rydberg excited states of the CO2 molecule are carried out using density functionals with variational optimization of the orbitals, an approach…
In this article we propose a model based on the Statistical Bootstrap approach to estimate the cross sections of different hadronic reactions up to a few GeV in c.m.s energy. The method is based on the idea, when two particles collide a so…
The primary target of this paper is to present novel compounds in view of their possible use as oxidizers in propulsion applications using molecular modeling calculations and supersonic flow simulations. Carbon-based heterocyclic compounds…
A joint experimental and numerical investigation of turbulent flame front anchoring at externally heated walls is presented. The phenomenon is examined for lean hydrogen/air mixtures in a novel burner design, which comprises a cylindrical…
The development of advanced diagnostic systems to measure and optimize emerging energetic material performance is critical for the defeat of Chemical Warfare Agents (CWA). This study presents an integrated multi-spectroscopic approach to…
Two-loop corrections for the standard Abelian Nambu-Jona-Lasinio model are obtained with the Optimized Perturbation Theory (OPT) method. These contributions improve the usual mean-field and Hartree-Fock results by generating a $1/N_c$…
The combustion instability is investigated computationally for a multi-injector rocket engine using the flamelet progress variable (FPV) model. A C++ code is developed based on OpenFOAM 4.0 to apply the combustion model. Flamelet tables are…
In this paper we report results of a numerical investigation of turbulent natural gas combustion for jet in a coflow of lean combustion products in the Delft-Jet-in-Hot-Coflow (DJHC) burner which emulates MILD (Moderate and Intense Low…
Numerical computations employing detailed chemistry are used to characterize the different combustion modes emerging in mixing layers separating nitrogen-diluted counterflowing planar streams of hydrogen and oxygen. Attention is focused on…
Wildfires cause major losses worldwide, and the frequency of fire-weather conditions is likely to increase in many regions. We study the allocation of suppression resources over time on a graph-based representation of a landscape to slow…
The combustion instability is investigated computationally for a ten-injector rocket engine using the compressible flamelet progress variable (FPV) model and detached eddy simulation (DES). An C++ code is developed based on OpenFOAM 4.1 to…
Phase Resolved Optical Emission Spectroscopy (PROES) measurements combined with 1d3v Particle-in-Cell/Monte Carlo Collision (PIC/MCC) simulations are performed to investigate the excitation dynamics in low-pressure capacitively coupled…
New experimental data are collected for methyl-cyclohexane (MCH) autoignition in a heated rapid compression machine (RCM). Three mixtures of MCH/O2/N2/Ar at equivalence ratios of $\phi$=0.5, 1.0, and 1.5 are studied and the ignition delays…
Phase Resolved Optical Emission Spectroscopy (PROES) measurements combined with 1d3v Particle-in-Cell/Monte Carlo Collisions (PIC/MCC) simulations are used to study the electron power absorption and excitation/ionization dynamics in…
The LPM suppression of photon emission rates from the quark gluon plasma have been studied at different physical conditions of the plasma given by temperature and chemical potentials.The integral equation for the transverse vector function…
Friction coefficients for the fusion reaction $^{16}$O+$^{16}$O $\rightarrow$ $^{32}$S are extracted based on both the time-dependent Hartree-Fock and the time-dependent density matrix methods. The latter goes beyond the mean-field…
Gas turbine combustors increasingly operate close to lean blow-out (LBO) limits, where small changes in fuel-air mixing or flow structure can destabilize the flame and alter near-blow-out dynamics. Conventional design practice relies mainly…
Computational fluid dynamics (CFD) simulations of a single-cylinder gasoline compression ignition engine are performed to investigate the impact of gasoline-ethanol blending on autoignition, nitrogen oxide (NOx), and soot emissions under…
A recent proposal of accelerator based fusion reactor considers a scheme where an ion beam from the accelerator hits the target plasma on the resonance of the fusion reaction so that the reactivity ($\sigma v$) can be an order of magnitude…