Understanding the dynamics of phase boundaries in fluids requires quantitative knowledge about the microscale processes at the *** consider the sharp-interface motion of the compressible two-component flow and propose...
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Understanding the dynamics of phase boundaries in fluids requires quantitative knowledge about the microscale processes at the *** consider the sharp-interface motion of the compressible two-component flow and propose a heterogeneous multiscale method(HMM)to describe the flow fields *** multiscale approach combines a hyperbolic system of balance laws on the continuum scale with molecular-dynamics(MD)simulations on the microscale ***,the multiscale approach is necessary to compute the interface dynamics because there is—at present—no closed continuum-scale *** basic HMM relies on a moving-mesh finite-volume method and has been introduced recently for the compressible one-component flow with phase transitions by Magiera and Rohde in(J Comput Phys 469:111551,2022).To overcome the numerical complexity of the MD microscale model,a deep neural network is employed as an efficient surrogate *** entire approach is finally applied to simulate droplet dynamics for argon-methane mixtures in several space *** our knowledge,such compressible two-phase dynamics accounting for microscale phase-change transfer rates have not yet been computed.
Coupled systems involving free flow and porous medium have gained significant attention in recent years due to their prevalence in environment and industry. Most of the coupling approaches are suitable only for flows ...
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Understanding the dynamics of hyperbolic balance laws is of paramount interest in the realm of fluid mechanics. Nevertheless, fundamental questions on the analysis and the numerics for distinctive hyperbolic features ...
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We introduce a strategy that generates an adaptive surrogate of the value function of high-dimensional nonlinear optimal control problems. It exploits the relevant operating domain online on which the resulting surrog...
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We introduce a strategy that generates an adaptive surrogate of the value function of high-dimensional nonlinear optimal control problems. It exploits the relevant operating domain online on which the resulting surrogate satisfies the Hamilton–Jacobi–Bellman (HJB) equation up to a given threshold. The approximate value function is based on Hermite kernel regression, where the data stems from open-loop control of reduced-order optimal control problems. As a measure of accuracy, the full-order HJB residual, known as the Bellman error, is used to determine whether the current Hermite kernel surrogate is sufficient or further training is required. In addition, the reduced-order model can also be improved using the full-order data if the same HJB-based error indicator suggests that the current reduced system is not accurate enough. numerical experiments support the effectiveness of the new scheme.
In this study, I compute the static dipole polarizability of main-group elements using the finite-field method combined with relativistic coupled-cluster and configuration-interaction simulations. The computational re...
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In this study, I compute the static dipole polarizability of main-group elements using the finite-field method combined with relativistic coupled-cluster and configuration-interaction simulations. The computational results closely align with the values recommended in the 2018 Table of static dipole polarizabilities of neutral elements [Mol. Phys. 117, 1200 (2019)]. Additionally, I investigate the influence of relativistic effects and electron correlation on atomic dipole polarizabilities. Specifically, three types of relativistic effects impacting dipole polarizabilities are studied: scalar-relativistic, spin-orbit coupling, and fully relativistic Dirac-Coulomb effects. The results indicate that scalar-relativistic effects are predominant for atoms in groups 1 and 2, with minimal influence from spin-orbit coupling effects. Conversely, for elements in groups 13–18, scalar-relativistic effects are less significant, while spin-orbit coupling significantly affects elements starting from the fourth row in groups 13 and 14 and from the fifth row in groups 15–18. In each category of relativistic effects, the impact of electron correlation is evaluated. The results show that electron correlation significantly influences dipole polarizability calculations, particularly for atoms from groups 1, 2, 13, and 14, but is less significant for atoms from groups 15–18. This study provides a comprehensive and consistent data set of dipole polarizabilities and contributes to a systematic understanding of the roles of relativistic and electron-correlation effects in atomic dipole polarizabilities, serving as a valuable reference for future research.
Restarted GMRES is a robust and widely used iterative solver for linear systems. The control of the restart parameter is a key task to accelerate convergence and to prevent the well-known stagnation phenomenon. We foc...
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In this paper, we link the unique mechanical properties to structural aspects using a splitting method in order to disentangle nonlinear interactions of Stone– Wales defects as fundamental perturbations in a crystall...
We consider the motion of a two-phase thin film that consists of two immiscible viscous fluids and is endowed with an anti-surfactant solute. The presence of such solute particles induces variations of the surface ten...
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Coupled systems of porous media and free flow can be modelled by the Stokes equations in the free-flow domain, Darcy’s law in the porous medium, and an appropriate set of coupling conditions on the fluid–porous inte...
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MSC Codes Primary: 35J10 Secondary:81Q05, 81V74, 46N50In this paper, we present a completely rigorous formulation of Kohn-Sham density functional theory for spinless electrons living in one dimensional space. More pre...
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