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A conservative discrete velocity method (DVM) is developed for the ellipsoidal Fokker-Planck (ES-FP) equation in prediction of non-equilibrium neutral gas flows in this paper. The ES-FP collision operator is solved in discrete velocity…
The assessment of step voltage regulator (SVR) operation in active distribution networks requires computational analysis tools capable of tackling the emerging technical challenges. Conventional load flow (CLF), quasi-static time series…
The non-local van der Waals density functional (vdW-DF) has had tremendous success since its inception in 2004 due to its constraint-based formalism that is rigorously derived from a many-body starting point. However, while vdW-DF can…
For enhancing power flow control in power transmission, a simplified new structure of direct power flow controller with continuous full regulation range (F-DPFC) was proposed. It has only one-stage power conversion and comprises of a…
Accurate ab initio modelling of surfaces and interfaces, especially under an applied external potential bias, is important for describing and characterizing various phenomena that occur in electronic, catalytic, and energy storage devices.…
We assess the capabilities of hydrodynamic density functional theory (DFT) to predict mass transfer across vapor-liquid interfaces by studying the response of an initially equilibrated pure component vapor-liquid system to the localized…
Long-term fluid dynamics forecasting is a critically important problem in science and engineering. While neural operators have emerged as a promising paradigm for modeling systems governed by partial differential equations (PDEs), they…
In this work, we propose a novel selective discontinuity sensor approach for numerical simulations of the compressible Navier-Stokes equations. Since transformation to characteristic space is already a common approach to reduce…
Energy distributions of high frequency linear wave fields are often modelled in terms of flow or transport equations with ray dynamics given by a Hamiltonian vector field in phase space. Applications arise in underwater and room acoustics,…
DC Optimal Power Flow (DC-OPF) problems optimize the generators' active power setpoints while satisfying constraints based on the DC power flow linearization. The computational tractability advantages of DC-OPF problems come at the expense…
Dynamic mode decomposition (DMD) provides a principled approach to extract physically interpretable spatial modes from time-resolved flow field data, along with a linear model for how the amplitudes of these modes evolve in time. Recently,…
Proper inclusion of van der Waals (vdW) interactions in theoretical simulations based on standard density functional theory (DFT) is crucial to describe the physics and chemistry of systems such as organic and layered materials. Many…
Direct air capture of Carbon Dioxide is a technical solution that does not rely on natural processes to capture CO2 from the atmosphere. In DAC, the filter material is designed to specifically bind CO2 molecules. Hence a high-capacity…
AC optimal power flow (AC-OPF) problems need to be solved more frequently in the future to maintain stable and economic power system operation. To tackle this challenge, a deep neural network-based voltage-constrained approach (DeepOPF-V)…
This paper proposes a generic and unified model of the power flow (PF) problem for multiterminal hybrid AC/DC networks. The proposed model is an extension of the standard AC-PF. The DC network is treated as an AC one and, in addition to the…
The van der Waals density functional (vdW-DF) of Dion et al. [Phys. Rev. Lett. 92, 246401 (2004)] is a promising approach for including dispersion in approximate density functional theory exchange-correlation functionals. Indeed, an…
Computational fluid dynamics (CFD) is a powerful tool for modeling turbulent flow and is commonly used for urban microclimate simulations. However, traditional CFD methods are computationally intensive, requiring substantial hardware…
This study presents a comprehensive evaluation of dynamic aerodynamic derivatives during aircraft transition phases using advanced CFD simulations and forced oscillation testing. Two case studies are examined: a three dimensional fighter…
The Polarizable Continuum Model (PCM) can be used in conjunction with Density Functional Theory (DFT) and its time-dependent extension (TDDFT) to simulate the electronic and optical properties of molecules and nanoparticles immersed in a…
Detailed physisorption data from experiment for the H_2 molecule on low-index Cu surfaces challenge theory. Recently, density-functional theory (DFT) has been developed to account for nonlocal correlation effects, including van der Waals…