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Dilepton invariant-mass spectra for heavy-ion collisions at SIS 18 and BEVALAC energies are calculated using a coarse-grained time evolution from the Ultra-relativistic Quantum Molecular Dynamics (UrQMD) model. The coarse-graining of the…
We explored the composition dependence of a rather comprehensive set of properties of liquid water-ethanol mixtures by using the isobaric-isothermal molecular dynamics computer simulations. The united atom non-polarizable model from the…
In this paper we present a lattice Boltzmann model for combustion and detonation. In this model the fluid behavior is described by a finite-difference lattice Boltzmann model by Gan et al. [Physica A, 2008, 387: 1721]. The chemical reaction…
Accelerating the design of materials with targeted properties is one of the key materials informatics tasks. The most common approach takes a data-driven motivation, where the underlying knowledge is incorporated in the form of…
The method for the evaluation of the non-resonant thermonuclear function in the Maxwell-Boltzmann case with depleted tail is discussed. Closed forms of the analytical results are obtained in computational format, and written in terms of the…
The fully energy-damped yields from the $^{35}$Cl+$^{12}$C reaction have been systematically investigated using particle-particle coincidence techniques at a $^{35}$Cl bombarding energy of $\sim$ 8 MeV/nucleon. The fragment-fragment…
While providing a highly accurate framework for simulating laser-induced many-electron dynamics in atom and molecules, including linear and nonlinear steady-state and transient absorption spectra, time-dependent coupled-cluster theory does…
We describe a result coming from an experiment based on an Al-Mg alloy (~ 5% Mg) suspended bar hit by an electron beam and operated above and below the termperature of transition from superconducting to normal state of the material. The…
A model recently proposed for the calculation of air-fluorescence yield excited by electrons is revisited. Improved energy distributions of secondary electrons and a more realistic Monte Carlo simulation including some additional processes…
The temperature dependence of the transport properties of the metallic phase of a frustrated Hubbard model on the hypercubic lattice at half-filling are calculated. Dynamical mean-field theory, which maps the Hubbard model onto a single…
Ammonia is a promising zero-carbon fuel for industrial and transport applications, but its combustion is hindered by flame instabilities, incomplete oxidation, and the formation of nitrogen oxides. Accurate and detailed kinetic models are…
Two microscopic models, UrQMD and QGSM, were employed to study the formation of locally equilibrated hot and dense nuclear matter in heavy-ion collisions at energies from 11.6 AGeV to 160 AGeV. Analysis was performed for the fixed central…
A mechanism for fast magnetic reconnection in collisionless plasma is studied for understanding sawtooth collapse in tokamak discharges by using a two-fluid model for cold ions and electrons. Explosive growth of the tearing mode enabled by…
The Noble-Abel (NA) equation of state (EOS) is widely used in interior ballistics of guns as well as rocket propulsion computations. Its simplicity and accuracy are key points for intensive computations with hyperbolic two-phase flow models…
We present a proof of concept that machine learning techniques can be used to predict the properties of CNOHF energetic molecules from their molecular structures. We focus on a small but diverse dataset consisting of 109 molecular…
Over the ages, efforts have been made to use composite design to reinforce metals and alloys in order to increase their strength and modulus. On the other hand, nature herself improves the strength, ductility, stiffness and toughness of…
Understanding the mechanisms of explosions is important for minimizing devastating hazards. Due to the complexity of real chemistry, a single-step reaction mechanism is usually used for theoretical and numerical studies. The purpose of this…
Thermal dilepton radiation from the hot fireballs created in high-energy heavy-ion collisions provides unique insights into the properties of the produced medium. We first show how the predictions of hadronic many-body theory for a melting…
We demonstrate and characterize a first-principles approach to modeling the mass action dynamics of metabolism. Starting from a basic definition of entropy expressed as a multinomial probability density using Boltzmann probabilities with…
A time-lag and linear regression-based framework is developed and its performance is assessed for predicting temporally resolved spray number of droplets using flame chemiluminescence and a sparse number of droplets data. Separate pressure,…