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We address two models for the simulation of dust clouds premixed combustion: the first one consists in usual balance equations, to derive the second one, we suppose that the solution takes the form of a travelling combustion wave and track…
A wildfire model is formulated based on balance equations for energy and fuel, where the fuel loss due to combustion corresponds to the fuel reaction rate. The resulting coupled partial differential equations have coefficients that can be…
Quantum simulators hold enormous promise for advancing the modelling of materials and understanding emergent physics, such as high temperature superconductivity and topological order. While correlation functions are, typically,…
We study the dynamics and properties of a turbulent flame, formed in the presence of subsonic, high-speed, homogeneous, isotropic Kolmogorov-type turbulence in an unconfined system. Direct numerical simulations are performed with…
Computational homogenization is the gold standard for concurrent multi-scale simulations (e.g., FE2) in scale-bridging applications. Experimental and synthetic material microstructures are often represented by 3D image data. The…
We present a new theory for partitioning simulations of periodic and solid-state systems into physically sound atomic contributions at the level of Kohn-Sham density functional theory. Our theory is based on spatially localized linear…
The understanding and prediction of large wildland fire events around the world is a growing interdisciplinary research area advanced rapidly by development and use of computational models. Recent models bidirectionally couple computational…
Quantum simulations of metal surfaces are critical for catalytic innovation. Yet existing methods face a cost-accuracy dilemma: density functional theory is efficient but system-dependent in accuracy, while wavefunction-based theories are…
We introduce a unified Gaussian quantum operator representation for fermions and bosons. The representation extends existing phase-space methods to Fermi systems as well as the important case of Fermi-Bose mixtures. It enables simulations…
Few researches have studied simultaneous detection of smoke and flame accompanying fires due to their different physical natures that lead to uncertain fluid patterns. In this study, we collect a large image data set to re-label them as a…
We generate representative structural models of amorphous carbon (a-C) from constant-volume quenching from the liquid with subsequent relaxation of internal stresses in molecular dynamics simulations using empirical and machine-learning…
The article investigates liquid oxygen (LOx)-methane supercritical combustion dynamics in a multi-element rocket scale combustor using large eddy simulation (LES). A complex framework of real gas thermodynamics and flamelet generated…
Quantum simulators, in which well controlled quantum systems are used to reproduce the dynamics of less understood ones, have the potential to explore physics that is inaccessible to modeling with classical computers. However, checking the…
We presented a general multi-physics model for shale gas flow in fractured systems, first the first time, with fully coupled thermal-hydraulic-mechanical (THM) properties. The impact of gas adsorption, real gas properties, gas flow in…
Cell2Fire is a new cell-based forest and wildland landscape fire growth simulator that is open-source and exploits parallelism to support the modelling of fire growth cross large spatial and temporal scales in a timely manner. The fire…
Supersonic combustion plays a vital role in various applications, including scramjets, dual-mode ramjets, and pulse detonation engines. However, the flame characteristics can vary significantly, depending on the application. To model…
Smoldering combustion plays an important role in forest and wildland fires. Fires from smoldering combustion can last for long periods of time, emit more pollutants, and be difficult to extinguish. This makes the study of smoldering in…
For decades, supercritical flame simulations incorporating detailed chemistry and real-fluid transport have been limited to millions of cells, constraining the resolved spatial and temporal scales of the physical system. We optimize the…
Reduced-order models of flame dynamics can be used to predict and mitigate the emergence of thermoacoustic oscillations in the design of gas turbine and rocket engines. This process is hindered by the fact that these models, although often…
Materials with thickness ranging from a few nanometers to a single atomic layer present unprecedented opportunities to investigate new phases of matter constrained to the two-dimensional plane.Particle-particle Coulomb interaction is…