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A new Langevin-Verlet thermostat that preserves the fluctuation-dissipation relationship for discrete time steps, is applied to molecular modeling and tested against several popular suites (AMBER, GROMACS, LAMMPS) using a small molecule as…

Materials Science · Physics 2013-12-17 Niels Grønbech-Jensen , Natha Robert Hayre , Oded Farago

In this work we propose an efficient and accurate multi-scale optical simulation algorithm by applying a numerical version of slowly varying envelope approximation in FEM. Specifically, we employ the fast iterative method to quickly compute…

Optics · Physics 2024-12-03 Fan Xiao , Jingwei Wang , Zhongfei Xiong , Yuntian Chen

This paper presents the Virtual Element Method (VEM) for the modeling of crack propagation in 2D within the context of linear elastic fracture mechanics (LEFM). By exploiting the advantage of mesh flexibility in the VEM, we establish an…

Computational Engineering, Finance, and Science · Computer Science 2018-08-02 Vien Minh Nguyen-Thanh , Xiaoying Zhuang , Hung Nguyen-Xuan , Timon Rabczuk , Peter Wriggers

In this study, we propose a virtual element scheme to solve the Darcy problem in three physical dimensions. The main novelty, here proposed, is that curved elements are naturally handled without any degradation of the solution accuracy. In…

Numerical Analysis · Mathematics 2021-11-23 Franco Dassi , Alessio Fumagalli , Anna Scotti , Giuseppe Vacca

The simulation of systems that act on multiple time scales is challenging. A stable integration of the fast dynamics requires a highly accurate approximation whereas for the simulation of the slow part, a coarser approximation is accurate…

Numerical Analysis · Mathematics 2024-06-21 Sina Ober-Blöbaum , Theresa Wenger , Tobias Gail , Sigrid Leyendecker

A substantial number of algorithms exists for the simulation of moving particles suspended in fluids. However, finding the best method to address a particular physical problem is often highly non-trivial and depends on the properties of the…

Soft Condensed Matter · Physics 2015-02-10 Jens Harting , Stefan Frijters , Marco Ramaioli , Martin Robinson , Dietrich E. Wolf , Stefan Luding

In this work, discrete element method (DEM) simulations coupled with machine learning are used to study the process of dry impregnation. Our results show that the particle bed contains two regimes. Regime 1 shows smaller inclination angles…

Applied Physics · Physics 2022-12-02 Joseph Shovlin , Kuang Liu , Yangyang Shen , Bill Borghard , Hernan A. Makse , Maria S. Tomassone

The 2-D discrete wavelet transform (DWT) can be found in the heart of many image-processing algorithms. Until recently, several studies have compared the performance of such transform on various shared-memory parallel architectures,…

Performance · Computer Science 2017-05-30 David Barina , Michal Kula , Michal Matysek , Pavel Zemcik

A bottleneck can largely deteriorate the flow, such as a traffic light or an on-ramp at a road. To alleviate bottleneck situations, one of the important strategies is to control the input rate to suit the state of the road. In this study,…

Cellular Automata and Lattice Gases · Physics 2019-03-28 Hiroki Yamamoto , Daichi Yanagisawa , Katsuhiro Nishinari

In our recent work [H. Zhang, F.X. Trias, A. Oliva, D. Yang, Y. Tan, Y. Sheng. PIBM: Particulate immersed boundary method for fluid-particle interaction problems. Powder Technology. 272(2015), 1-13.], a particulate immersed boundary method…

Computational Physics · Physics 2015-02-05 Hao Zhang , Haizhuan Yuan , F. Xavier Trias , Aibing Yu , Yuanqiang Tan , Assensi Oliva

In this paper, we propose an adaptive framework for the variable step size of the fractional least mean square (FLMS) algorithm. The proposed algorithm named the robust variable step size-FLMS (RVSS-FLMS), dynamically updates the step size…

Optimization and Control · Mathematics 2017-11-15 Shujaat Khan , Muhammad Usman , Imran Naseem , Roberto Togneri , Mohammed Bennamoun

In this paper, we propose a linear and monolithic finite element method for the approximation of an incompressible viscous fluid interacting with an elastic and deforming plate. We use the arbitrary Lagrangian-Eulerian (ALE) approach that…

Numerical Analysis · Mathematics 2023-01-13 Sebastian Schwarzacher , Bangwei She , Karel Tuma

We study time-dependent density segregation of granular mixtures flowing over an inclined plane. Discrete Element Method (DEM) simulations in a periodic box are performed for granular mixtures of same size and different density particles…

Soft Condensed Matter · Physics 2025-04-16 Soniya Kumawat , Vishnu Kumar Sahu , Anurag Tripathi

The main objective of this work is to develop a unified framework that can be used as a lens to quantitatively assess and augment a wide range of coarse-grained models of turbulence, viz. large eddy simulations (LES), hybrid…

Fluid Dynamics · Physics 2023-01-25 Aniruddhe Pradhan , Karthik Duraisamy

The estimation and analysis of large-scale bulk flow moments of peculiar velocity surveys is complicated by non-spherical survey geometry, the non-uniform sampling of the matter velocity field by the survey objects and the typically large…

Cosmology and Nongalactic Astrophysics · Physics 2012-09-28 Shankar Agarwal , Hume A. Feldman , Richard Watkins

The robustness of dynamical systems against external perturbations is crucial in engineering; however, it is often overlooked for the lack of methods for rapidly computing it. This paper proposes a novel algorithm for estimating the…

Dynamical Systems · Mathematics 2023-06-27 Bence Szaksz , Gabor Stepan , Giuseppe Habib

In this article, we propose and analyze a fully coupled, nonlinear, and energy-stable virtual element method (VEM) for solving the coupled Poisson-Nernst-Planck (PNP) and Navier--Stokes (NS) equations modeling microfluidic and…

Numerical Analysis · Mathematics 2023-06-27 Mehdi Dehghan , Zeinab Gharibi , Ricardo Ruiz-Baier

We present the Neural Approximated Virtual Element Method to numerically solve elasticity problems. This hybrid technique combines classical concepts from the Finite Element Method and the Virtual Element Method with recent advances in deep…

Numerical Analysis · Mathematics 2025-07-09 Stefano Berrone , Moreno Pintore , Gioana Teora

Since its introduction, the Virtual Element Method (VEM) was shown to be able to deal with a large variety of polygons, while achieving good convergence rates. The regularity assumptions proposed in the VEM literature to guarantee the…

Numerical Analysis · Mathematics 2021-02-15 Tommaso Sorgente , Silvia Biasotti , Gianmarco Manzini , Michela Spagnuolo

Free surface and granular fluid mechanics problems combine the challenges of fluid dynamics with aspects of granular behaviour. This type of problem is particularly relevant in contexts such as the flow of sediments in rivers, the movement…

Computational Engineering, Finance, and Science · Computer Science 2025-01-07 Thomas Leyssens , Michel Henry , Jonathan Lambrechts , Vincent Legat , Jean-François Remacle
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