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A new, more comprehensive model of gas-grain chemistry in hot molecular cores is presented, in which nondiffusive reaction processes on dust-grain surfaces and in ice mantles are implemented alongside traditional diffusive surface/bulk-ice…
We present a set of second-order, time-reversible algorithms for the isothermal (NVT) molecular-dynamics (MD) simulation of systems with mixed hard-core/continuous potentials. The methods are generated by combining real-time Nose'…
In this paper, we present a deep learning-based reduced-order model (DL-ROM) for the stability prediction of unsteady 3D fluid-structure interaction systems. The proposed DL-ROM has the format of a nonlinear state-space model and employs a…
In this work, we propose an accurate, robust, and stable discretization of the gamma-based compressible multicomponent model by Shyue [J. Comput. Phys., 142 (1998), 208-242] where each component follows a stiffened gas equation of state…
This article presents a priori error estimates of the miscible displacement of one incompressible fluid by another through a porous medium characterized by a coupled system of nonlinear elliptic and parabolic equations. The study utilizes…
Compatible finite element discretisations for the atmospheric equations of motion have recently attracted considerable interest. Semi-implicit timestepping methods require the repeated solution of a large saddle-point system of linear…
The stability of classical semi-implicit scheme, and some more advanced iterative schemes recently proposed for Numerical Weather Prediction (NWP) purpose is examined. In all these schemes, the solution of the centred-implicit non-linear…
Maintaining conservation laws in the fully discrete setting is critical for accurate long-time behavior of numerical simulations and requires accounting for discrete conservation properties in both space and time. This paper derives…
We present two methods for computing the dynamic structure factor for warm dense hydrogen without invoking either the Born-Oppenheimer approximation or the Chihara decomposition, by employing a wave-packet description that resolves the…
A recent paper [J. A. Evans, D. Kamensky, Y. Bazilevs, "Variational multiscale modeling with discretely divergence-free subscales", Computers & Mathematics with Applications, 80 (2020) 2517-2537] introduced a novel stabilized finite element…
A form of the conservation equations for fluid dynamics is presented, deduced using slightly less restrictive hypothesis than those necessary to obtain the Westervelt equation. This formulation accounts for full wave diffraction,…
This work presents IMplicit-EXplicit (IMEX) formulations for discontinuous Galerkin (DG) discretizations of the compressible Euler equations governing non-hydrostatic atmospheric flows. In particular, we show two different IMEX formulations…
Ecosystem respiration (Reco) represents a major component of the global carbon cycle, and accurate characterization of its dynamics is essential for a comprehensive understanding of ecosystem-climate interactions and the impacts of climate…
Predictive and real-time inference capability for the upstream separatrix electron density, $n_\text{e, sep}$, is essential for design and control of core-edge integrated plasma scenarios. In this study, both supervised and semi-supervised…
The low frequency variability of the extratropical atmosphere involves hemispheric-scale recurring, often persistent, states known as teleconnection patterns or regimes, which can have profound impact on predictability on intra-seasonal and…
Atmosphere modelling applications become increasingly memory-bound due to the inconsistent development rates between processor speeds and memory bandwidth. In this study, we mitigate memory bottlenecks and reduce the computational load of…
We derive a formulation of the nonhydrostatic equations in spherical geometry with a Lorenz staggered vertical discretization. The combination conserves a discrete energy in exact time integration when coupled with a mimetic horizontal…
We formulate a nonlinear synergistic theory of coevolutionary systems, disentangling and explaining dynamic complexity in terms of fundamental processes for optimised data analysis and dynamic model design: Dynamic Source Analysis (DSA).…
The structure, thermodynamics and slow activated dynamics of the equilibrated metastable regime of glass-forming fluids remains a poorly understood problem of high theoretical and experimental interest. We apply a highly accurate…
Global deep-learning weather prediction models have recently been shown to produce forecasts that rival those from physics-based models run at operational centers. It is unclear whether these models have encoded atmospheric dynamics, or…