相关论文: Exploding Nitromethane in silico, in real time
We observe magnetic trapping of atomic nitrogen (14^N) and cotrapping of ground state imidogen (14^NH, X-triplet-Sigma-). Both are loaded directly from a room temperature beam via buffer gas cooling. We trap approximately 1 * 10^11 14^N…
Hydrogen, crucial for the green energy transition, poses a challenge due to its tendency to degrade surrounding wall materials. To harness hydrogen's potential, it is essential to identify materials' parameter(s) that modulate…
Cubic gauche nitrogen (cg-N) has received wide attention due to its high energy density and environmental friendliness. However, existing synthesis methods for cg-N predominantly rely on the high-pressure techniques, or the utilization of…
Long-term neutrino-radiation hydrodynamics simulations in full general relativity are performed for the collapse of rotating massive stars that are evolved from He-stars with their initial mass of $20$ and $32M_\odot$. It is shown that if…
A computational model is developed to assist the design of the first hybrid rocket engine of the McGill Rocket Team, using liquid nitrous oxide as an oxidizer and solid paraffin wax as a fuel. The model is developed in three phases: In the…
Nuclear excitation by electron capture (NEEC) is an important nuclear excitation mechanism which still lacks conclusive experimental verification. This is primarily attributed to strong background x-/$\gamma$-ray noise and competing nuclear…
Nearly one third of all nitrogen oxides are removed from the atmosphere through the reactive uptake of N$_2$O$_5$ into aqueous aerosol. The primary step in reactive uptake is the rapid hydrolysis of N$_2$O$_5$, yet despite significant…
The high cost of density functional theory has hitherto limited the ab initio prediction of equation of state (EOS). In this article, we employ a combination of large scale computing, advanced simulation techniques, and smart data science…
Hydrogen, while a promising sustainable energy carrier, presents challenges such as the embrittlement of materials due to its ability to penetrate and weaken their crystal structures. Here we investigate Fe4N nitride layers, formed on iron…
Smoothed Dissipative Particle Dynamics (SDPD) is a mesoscopic method which allows to select the level of resolution at which a fluid is simulated. The aim of this work is to extend SDPD to chemically reactive systems.To this end, an…
Nuclear reactors are one of the most intense, pure, controllable, cost-effective, and well-understood sources of neutrinos. Reactors have played a major role in the study of neutrino oscillations, a phenomenon that indicates that neutrinos…
The development of nuclear fuels requires unsteady/transient testing for design process and qualification under postulated accident conditions. Breach, rupture, fracture, melting, and other fuel failure modes may occur during the use of…
The wavelengths and energies of thermal and cold neutrons are ideally matched to the length and energy scales in the materials that underpin technologies of the present and future: ranging from semiconductors to magnetic devices, composites…
Large-volume neutrino experiments are ideal for testing boosted dark matter (BDM) scenarios. We propose, for the first time, an approach to utilize knockout neutrons by detecting de-excitation $\gamma$ rays and coincident captured neutrons…
$^{56}$Ni is an important indicator of the supernova explosions, which characterizes light curves. Nevertheless, rather than $^{56}$Ni, the explosion energy has often been paid attention from the explosion mechanism community, since it is…
Shock tubes are widely used in the study of chemical kinetics. Its benefits rely on the almost ideal shock-heating process that provides high temperatures and pressures to a chemical system for a limited test time. Just like any reactor,…
We show using molecular dynamics simulation that spatial confinement of water inside carbon nanotubes (CNT) substantially increases its boiling temperature and that a small temperature growth above the boiling point dramatically raises the…
Metal nitrides represent a large class of materials with extensive applications in optoelectronics, energy, and healthcare technologies. For example, GaN and related nitride semiconductors are key materials for solid-state lighting and…
The capabilities of a plug-flow fixed-bed cell for operando studies of heterogeneous catalysts are demonstrated using laboratory-based X-ray absorption spectroscopy (XAS) with a von Hamos spectrometer. The cell operates at temperatures up…
Two-dimensional numerical simulations with Eulerian-Lagrangian method are conducted to study propagation and extinction of stoichiometric hydrogen/air detonations in fine water sprays. Parameterized by water mass loading and initial droplet…