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We present an extension of the PatchworkMHD code [1], itself an MHD-capable extension of the Patchwork code [2], for which several algorithms presented here were co-developed. Its purpose is to create a multipatch scheme compatible with…

We develop a multiscale patch scheme for studying the system level characteristics of heterogeneous functional graded beams. The algorithm computes the detailed beam dynamics on the microscale, but only in small patches of the beam domain,…

Dynamical Systems · Mathematics 2024-07-17 Thien Tran-Duc , J. E. Bunder , A. J. Roberts

The simulation of open quantum systems coupled to a reservoir through multiple channels remains a substantial challenge. This kind of open quantum system arises when considering the radiationless decay of excited states that are coupled to…

Quantum Physics · Physics 2023-07-14 Hanggai Nuomin , Jiaxi Wu , Peng Zhang , David N. Beratan

Simulation-free methods for training continuous-time generative models construct probability paths that go between noise distributions and individual data samples. Recent works, such as Flow Matching, derived paths that are optimal for each…

We consider the coupled system of equations that describe flow in fractured porous media. To describe such types of problems, multicontinuum and multiscale approaches are used. Because in multicontinuum models, the permeability of each…

Numerical Analysis · Mathematics 2023-05-31 Maria Vasilyeva

Although continuum theories have been proven quite robust to describe confined fluid flow at molecular length scales, molecular dynamics (MD) simulations reveal mechanistic insights into the interfacial dissipation processes. Most MD…

Fluid Dynamics · Physics 2024-02-26 Hannes Holey , Peter Gumbsch , Lars Pastewka

In this work, we present a multiple-scale perturbation technique suitable for the study of open quantum systems, which is easy to implement and in few iterative steps allows us to find excellent approximate solutions. For any time-local…

Quantum Physics · Physics 2019-04-30 D. N. Bernal-García , B. A. Rodríguez , H. Vinck-Posada

Modeling of fluid flows requires corresponding adequate and effective approaches that would account for multiscale nature of the considered physics. Despite the tremendous growth of computational power in the past decades, modeling of fluid…

Fluid Dynamics · Physics 2025-06-24 Arsen S. Iskhakov , Nam T. Dinh

Open quantum many-body systems are of both fundamental and applicational interest. However, it remains an open challenge to simulate and solve such systems, both with state-of-the-art classical methods and with quantum-simulation protocols.…

Quantum Physics · Physics 2025-02-19 Guangze Chen , Anton Frisk Kockum

Numerical schemes for wave-like systems with small dissipation are often inaccurate and unstable due to truncation errors and numerical roundoff errors. Hence, numerical simulations of wave-like systems lacking proper handling of these…

Numerical Analysis · Mathematics 2022-07-27 J. Divahar , A. J. Roberts , Trent W. Mattner , J. E. Bunder , Ioannis G. Kevrekidis

We present a "multipatch" infrastructure for numerical simulation of fluid problems in which sub-regions require different gridscales, different grid geometries, different physical equations, or different reference frames. Its key element…

Instrumentation and Methods for Astrophysics · Physics 2018-07-11 Hotaka Shiokawa , Roseanne M. Cheng , Scott C. Noble , Julian H. Krolik

Breaking surface waves generate drops of a broad range of sizes that have a significant influence on regional and global climates, as well as the identification of ship movements. Characterizing these phenomena requires a fundamental…

Fluid Dynamics · Physics 2022-10-12 Wai Hong Ronald Chan

Modern 'smart' materials have complex heterogeneous microscale structure, often with unknown macroscale closure but one we need to realise for large scale engineering and science. The multiscale Equation-Free Patch Scheme empowers us to…

Computational Engineering, Finance, and Science · Computer Science 2023-08-21 Thien Tran-Duc , J. E. Bunder , A. J. Roberts

Our goal was to develop a robust algorithm for numerical simulation of one-dimensional shallow-water flow in a complex multiply-connected channel network with arbitrary geometry and variable topography. We apply a central-upwind scheme with…

Numerical Analysis · Mathematics 2020-04-07 Sergii Kivva , Mark Zheleznyak , Alexander Pilipenko , Vasyl Yoschenko

Evaporating droplets and films are used in applications from different fields. Various methods of evaporative self-assembly are of particular interest. The paper describes a mathematical model of mass transfer in a droplet drying on a…

Fluid Dynamics · Physics 2023-09-22 Konstantin S. Kolegov

We present mode-coupling theory (MCT) results for densely packed hard-sphere fluids confined between two parallel walls and compare them quantitatively to computer simulations. The numerical solution of MCT is calculated for the first time…

Soft Condensed Matter · Physics 2023-05-10 Gerhard Jung , Thomas Franosch

Active- and transfer-learning are applied to polymer flows for the multiscale discovery of effective constitutive approximations required in viscoelastic flow simulation. The result is macroscopic rheology directly connected to a…

Computational Physics · Physics 2021-02-03 Lifei Zhao , Zhen Li , Zhicheng Wang , Bruce Caswell , Jie Ouyang , George Em Karniadakis

Recently, enthusiastic studies have devoted to texture synthesis using deep neural networks, because these networks excel at handling complex patterns in images. In these models, second-order statistics, such as Gram matrix, are used to…

Computer Vision and Pattern Recognition · Computer Science 2018-07-31 Zi-Ming Wang , Gui-Song Xia , Yi-Peng Zhang

Developments in dynamical systems theory provides new support for the macroscale modelling of pdes and other microscale systems such as Lattice Boltzmann, Monte Carlo or Molecular Dynamics simulators. By systematically resolving subgrid…

Numerical Analysis · Mathematics 2012-01-18 A. J. Roberts , Tony MacKenzie , J. E. Bunder

We present a formalism for coupling a density functional theory-based quantum simulation to a classical simulation for the treatment of simple metallic systems. The formalism is applicable to multiscale simulations in which the part of the…

Materials Science · Physics 2009-11-10 Nicholas Choly , Gang Lu , Weinan E , Efthimios Kaxiras