Related papers: Estimating Energy Release in Metallized Composite …
The past decade has seen an outstanding development of nonthermal particle acceleration in magnetic reconnection in magnetically-dominated systems, with clear signatures of power-law energy distributions as a common outcome of…
In this work we developed a practical and general modeling approach for thermal conductivity of metals and metal alloys that integrates ab initio and semiempirical physics-based models to maximize the strengths of both techniques. The…
In this paper, we consider Euler-like balance laws for mixture components that involve macroscopic velocities and temperatures for each different species. These laws are not conservative due to mutual interaction between species. In…
We propose a simple scheme to construct composition-dependent interatomic potentials for multicomponent systems that when superposed onto the potentials for the pure elements can reproduce not only the heat of mixing of the solid solution…
The scaling of turbulent premixed flames is typically described by correlations derived for unity-Lewis-number fuels. However, their validity for hydrogen (H$_{2}$) remains uncertain due to the thermodiffusive effects associated with its…
We study inelastic gases in two dimensions using event-driven molecular dynamics simulations. Our focus is the nature of the stationary state attained by rare injection of large amounts of energy to balance the dissipation due to…
Micron-scale metal-based composite powders are promising for energetic applications due to their tailored ignition and combustion properties. In particular, ball-milled Al/Zr composites exhibit lower ignition thresholds than pure aluminum,…
Accurate determination of fuel properties of complex mixtures over a wide range of pressure and temperature conditions is essential to utilizing alternative fuels. The present work aims to construct cheap-to-compute machine learning (ML)…
This work presents a modeling framework to represent the thermomechanical behavior of complex materials based on micromechanical dynamics. The framework is applied to nuclear fuel rod elements composed of Zircaloy-2 cladding tubes and…
The recently proposed pair-interaction model is applied to study a series of refractory high entropy alloys. The results demonstrate the simplicity, robustness, and high accuracy of this model in predicting the configuration energies of…
To probe both the Hydrodynamic Non-Equilibrium (HNE) and Thermodynamic Non-Equilibrium (TNE) in the combustion process, a two-dimensional Multiple-Relaxation-Time (MRT) version of Lattice Boltzmann Kinetic Model(LBKM) for combustion…
We consider a model where, for a finite disintegrating system, yields of composites can be calculated to arbitrary accuracy. An analytic answer for yields is also known in the thermodynamic limit. In the range of temperature and density…
Over the past decade inter-atomic potentials based on machine-learning (ML) techniques have become an indispensable tool in the atomic-scale modeling of materials. Trained on energies and forces obtained from electronic-structure…
During the recovery phase of a magnetic storm, fluxes of relativistic ($>1$ MeV) electrons in the inner magnetosphere ($3\le L \le 6$) increase to beyond pre-storm levels, reaching a peak about 4 days after the initiation of the storm. In…
Semi-empirical interatomic potentials have been developed for Al, alpha-Ti, and gamma-TiAl within the embedded atomic method (EAM) by fitting to a large database of experimental as well as ab-initio data. The ab-initio calculations were…
The cohesive energy, equilibrium lattice constant, and bulk modulus of noble metals are computed by different van der Waals-corrected Density Functional Theory methods, including vdW-DF, vdW-DF2, vdW-DF-cx, rVV10 and PBE-D. Two…
Using a partitioned-energy thermodynamic framework which assigns energy to that of atomic configurational stored energy of cold work and kinetic-vibrational, we derive an important constraint on the Taylor-Quinney coefficient, which…
Gas accretion and stellar feedback processes link metal content, star formation, and gas and stellar mass (and the potential depth) in star-forming galaxies. Constraining this hypersurface has been challenging because of the need for…
This article proposes a coupled thermomechanical finite element model tailored to the macroscale simulation of metal additive manufacturing processes such as selective laser melting. A first focus lies on the derivation of a consistent…
This article presents an investigation of a transient (30 {\mu}s - 5 ms) electrical discharge in metal vapour with low voltage (< 50 V) and current (< 1 A), drawn between two separating electrodes. Discharges of this type are rarely…