相关论文: Exploding Nitromethane in silico, in real time

The question why and how core-collapse supernovae (SNe) explode is one of the central and most long-standing riddles of stellar astrophysics. A solution is crucial for deciphering the SN phenomenon, for predicting observable signals such as…

A simple model for evaluating the thermal atomic transfer rates in nanosystems [EPL 94, 40002 (2011)] was developed to predict the chemical reaction rates of nanosystems with small gas molecules. The accuracy of the model was verified by MD…

Graphene is, in principle, a promising material for consideration as component (support, active site) of electrocatalytic materials, particularly with respect to reduction of oxygen, an electrode reaction of importance to low-temperature…

Uranium mononitride (UN) is a promising accident-tolerant fuel because of its high fissile density and high thermal conductivity. In this study, we developed the first machine learning interatomic potentials for reliable atomic-scale…

Chemically reacting flows are common in engineering, such as hypersonic flow, combustion, explosions, manufacturing processes and environmental assessments. For combustion, the number of reactions can be significant (over 100) and due to…

The dynamical reaction of the particles accelerated at a shock front by the first order Fermi process can be determined within kinetic models that account for both the hydrodynamics of the shocked fluid and the transport of the accelerated…

Atomically thin molecular carbon nanomembranes (CNMs) with intrinsic sub-nanometer porosity are considered as promising candidates for next generation filtration and gas separation applications due to their extremely low thickness, energy…

Two roads are presently being followed in order to establish the existence of a liquid-gas phase transition in finite nuclear systems from nuclear reactions at high energy. The clean experiment of observing the thermodynamic properties of a…

The discovery of metals as catalytic centers for nitrogen reduction reactions has stimulated great enthusiasm for single-atom catalysts. However, the poor activity and low selectivity of available SACs are far away from the industrial…

We study experimentally fast flames and their transition to detonation in mixtures of methane, ethane, ethylene, acetylene, and propane mixtures with oxygen. Following the interaction of a detonation wave with a column of cylinders of…

Vapor pressure grows rapidly above the boiling temperature, and past the critical point liquid droplets disintegrate. Our atomistic simulations show that this sequence of events is reversed inside carbon nanotubes (CNT). Droplets…

Multi-nucleon transfer (MNT) reactions between two heavy ions offer an effective method of producing heavy, neutron-rich nuclei that cannot currently be accessed efficiently using traditional production techniques. These nuclei are…

Fuel cells offer an alternative to burning fossil fuels, but use platinum as a catalyst which is expensive and scarce. Cheap, alternative catalysts could enable fuel cells to become serious contenders in the green energy sector. One…

39 detailed mechanisms for combustion of hydrogen, carbon monoxide and methanol are investigated using ReactionKinetics, a Mathematica based package. The obtained results in most cases do not depend on the choice of reaction rate…

This paper presents an experimental and modeling study of the oxidation of large linear akanes (from C10) representative from diesel fuel from low to intermediate temperature (550-1100 K) including the negative temperature coefficient (NTC)…

Compared with traditional fuels, emulsified fuels can improve fuel atomization and combustion, and nanoparticles as additives have the potential to enhance combustion and reduce emissions. Previous studies on micro-explosion mainly…

A possibility for molecular-nuclear transitions to occur was recently predicted for some few-atomic systems. Among others, the molecule of ordinary water was shown to be a candidate for this effect due to a presence of (1-, 4.522 MeV)…

Thermal bombs are a widely used method to artificially trigger explosions of core-collapse supernovae (CCSNe) to determine their nucleosynthesis or ejecta and remnant properties. Recently, their use in spherically symmetric (1D)…

Fission events from Special Nuclear Material (SNM), such as highly enriched uranium or plutonium, can produce simultaneous emission of multiple neutrons and high energy gamma-rays. The observation of time correlations between any of these…

Plasma Assisted Combustion (PAC) is a promising technology to enhance the combustion of lean mixtures prone to instabilities and flame blow-off. Although many PAC experiments demonstrated combustion enhancement, several studies report an…