相关论文: Exploding Nitromethane in silico, in real time
The rapidly growing base of observational data for supernova explosions of massive stars demands theoretical explanations. Central of these is a self-consistent model for the physical mechanism that provides the energy to start and drive…
The apparent anomaly in the ratio of muon to electron atmospheric neutrinos first observed by Kamiokande and IMB has been confirmed by Super-Kamiokande and Soudan-2. The experimental analysis, including the asymmetry in the zenithal…
This work adopts a Eulerian-Lagrangian approach to numerically simulate the spray impingement of MMH (Monomethyl hydrazine)/NTO (nitrogen tetroxide), which are prevalent rocket engine bipropellants for deep space missions and satellite…
High-quality nitrogen-doped graphene on nickel is prepared by exploiting both the catalytic properties of nickel and the solubility of nitrogen atoms into its bulk. Following the standard chemical vapor deposition procedure, a previously…
Machine learning has emerged as a powerful tool in materials discovery, enabling the rapid design of novel materials with tailored properties for countless applications, including in the context of energy and sustainability. To ensure the…
While largely studied on the macroscopic scale, the dynamics leading to nucleation and fission processes in atmospheric aerosols are still poorly understood at the molecular level. Here, we present a joint experimental-theoretical study of…
Many species of complex organic molecules (COMs) have been observed in several astrophysical environments but it is not clear how they are produced, particularly in cold, quiescent regions. One process that has been proposed as a means to…
Chemical modelling serves two purposes in dynamical models: accounting for the effect of microphysics on the dynamics and providing observable signatures. Ideally, the former must be done as part of the hydrodynamic simulation but this…
The possibility of metallic hydrogen was first mooted by Wigner and Huntington in 1935. Here it is show that the calculations from that paper are in remarkably good agreement with modern density functional theory results. The possibility…
The nuclear interaction model plays an essential role in understanding neutrino-nucleus interactions in large-scale neutrino detectors. For example, in the Super-Kamiokande experiment, systematic uncertainties regarding atmospheric neutrino…
Imidogen (NH) is a reactive molecule whose presence in astrochemical environments is of interest due to its role in the formation of nitrogen-containing molecules and as a potential probe of nitrogen abundance. Spectroscopic NH monitoring…
Reactive multilayer thin films, a class of energetic materials, are increasingly recognized for their potential in joining applications, utilizing the chemical energy released as heat during exothermic reactions. These materials hold also…
Plasmonic materials have got wide attention as a potential candidate for light driven catalysis of chemical conversions by harnessing solar energy to reduce the environmental issues generated by fossil fuels-based bulk chemical industries.…
There is increasing attention to chemical applications of transmission electron microscopy, which is often plagued by radiation damage. The damage in organic matter predominantly occurs via ionization (radiolysis). Although radiolysis is…
The stability of a single-walled carbon nanotube placed on top of a catalytic nickel nanoparticle is investigated by means of molecular dynamics simulations. As a case study, we consider the $(12,0)$ nanotube consisting of 720 carbon atoms…
Combining microfluidic devices with nuclear magnetic resonance (NMR) has the potential of unlocking their vast sample handling and processing operation space for use with the powerful analytics provided by NMR. One particularly challenging…
The classical problem of thermal explosion is modified so that the chemically active gas is not at rest but is flowing in a long cylindrical pipe. Up to a certain section the heat-conducting walls of the pipe are held at low temperature so…
Hydrogen is vital for sectors like chemicals and others, driven by the need to reduce carbon emissions. Proton Electrolyte Membrane Water Electrolysis (PEMWE) is a key technology for the production of green hydrogen under fluctuating…
To better understand the chemistry involved during the combustion of components of diesel fuel, the structure of a laminar lean premixed methane flame doped with n-butylbenzene has been investigated. The inlet gases contained 7.1% (molar)…
In a scramjet, the fuel can be used to cool down the engine walls. The thermal decomposition of the jet fuel changes the reacting mixture before its combustion. A numerical study of the pyrolysis of norbornane, a jet fuel surrogate, has…