相关论文: Exploding Nitromethane in silico, in real time
Two-dimensional numerical simulations with Eulerian-Lagrangian method and detailed chemical mechanism are conducted to study the methane detonation propagation across a water curtain with finite thickness. The critical length of the water…
Semi-inclusive charge-changing neutrino reactions on targets of heavy water are investigated with the goal of determining the relative contributions to the total cross section of deuterium and oxygen in kinematics chosen to emphasize the…
The highly-sensitive method is proposed for the real-time diagnostics of the von Neumann peak at detonation of brisant high explosives. The absence of the direct link between the pressure and the course of chemical reactions was shown. For…
Liquid nitrogen is commonly used in cryogenic applications and is a promising medium for the direct immersion cooling of sensors used for nuclear and particle physics experiments. The scintillation properties of gaseous nitrogen are…
Methanol occupies a central role in chemical synthesis and is considered an ideal candidate for cleaner fuel storage and transportation. It can be catalyzed from water and volatile organic compounds such as carbon dioxide, thereby offering…
Shock tubes have been routinely used to generate reliable chemical kinetic data for gas-phase chemistry. The conventional diaphragm-rupture mode for shock tube operation presents many challenges that may ultimately affect the quality of…
Molecular Dynamics (MD) computer simulations are utilized to better understand the escape of neon from small (N=5) endohedral Ne@C60 clusters. Multiple runs at various temperatures are used to increase the reliability of our statistics. The…
Gas and vapour explosions have been involved in industrial accidents since the beginnings of industry. A century ago, at 11:55 am on Friday 24th September 1920, the petroleum barge Warwick exploded in London's docklands and seven men were…
Oxygen evolution reaction (OER) electrolysis, as an important reaction involved in water splitting and rechargeable metal-air battery, has attracted increasing attention for clean energy generation and efficient energy storage. Nickel/iron…
The dissociation of methane on transition metals is an important reaction in catalysis. It is the rate limiting step in steam reforming to produce syngas. Molecular beam experiments have shown that the energy in the internal vibrations are…
Using a neural network potential (ANI-1ccx) generated from quantum data on a large data set of molecules and pairs of molecules, isothermal, constant volume simulations demonstrate that the model can be as accurate as ab initio molecular…
Metal coordination is ubiquitous in Nature and central in many applications ranging from nanotechnology to catalysis and environmental chemistry. Complex formation results from the subtle interplay between different thermodynamic, kinetic,…
For over 40 years, physicists have considered possible uses for neutrino detectors in nuclear nonproliferation, arms control, and fissile materials security. Neutrinos are an attractive fission signature because they readily pass through…
This paper presents an approch for modeling with one single kinetic mechanism the chemistry of the autoignition and combustion processes inside an internal combustion engine, as well as the chemical kinetics governing the post-oxidation of…
A novel extension of a rapid compression machine (RCM), namely a Rapid Compression Expansion Machine (RCEM), is described and its use for studying chemical kinetics is demonstrated. Like conventional RCMs, the RCEM quickly compresses a…
One of the central problems in supernova theory is the question how massive stars explode. Understanding the physical processes that drive the explosion is crucial for linking the stellar progenitors to the final remnants and for predicting…
In the current study, the influence of turbulent mixing and local reaction rates on deflagration to detonation transition (DDT) was investigated using a state-of-the-art large eddy simulation (LES) strategy. Specifically, detonation…
The paper represents original development of thermodynamic criteria of occurrence conditions of steam-gas explosions in the process of severe accidents. The received results can be used for modelling of processes of severe accidents in…
The paper considers an opportunity of detecting explosives by using radiation capture of a neutron with nitrogen nucleus. Proton LINAC is offered as the neutron source with the following parameters: proton energy five Mega electron Volts ,…
Superheated droplets are proven to be excelent detectors for neutrons and could be used as a neutron dosimeter. To detect accurately the volume of the vapour formed upon nucleation and hence to observe the nucleation quantitatively an air…