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Reduced density matrix functional theory for the case of solids is presented and a new exchange correlation functional based on a fractional power of the density matrix is introduced. We show that compared to other functionals, this…

Materials Science · Physics 2009-11-13 S. Sharma , J. K. Dewhurst , N. N. Lathiotakis , E. K. U. Gross

Nonnegative matrix factorization (NMF) has an established reputation as a useful data analysis technique in numerous applications. However, its usage in practical situations is undergoing challenges in recent years. The fundamental factor…

Machine Learning · Computer Science 2016-05-04 Mariano Tepper , Guillermo Sapiro

In the paper the novel soft magnetic composite system is investigated. A ferrofluid emulsion studied demonstrates the strong magnetic properties which are atypical for commonly known emulsions. Interaction of ferrofluid emulsions with a…

Soft Condensed Matter · Physics 2011-04-19 Arthur Zakinyan , Yury Dikansky

Magnetic helicity fluxes in turbulently driven alpha^2 dynamos are studied to demonstrate their ability to alleviate catastrophic quenching. A one-dimensional mean-field formalism is used to achieve magnetic Reynolds numbers of the order of…

Solar and Stellar Astrophysics · Physics 2012-07-17 Simon Candelaresi , Axel Brandenburg

The isometric embedding of surfaces in three-dimensional space is fundamental to various physical systems, from elastic sheets to programmable materials. While continuous surfaces typically admit unique solutions under suitable boundary…

Disordered Systems and Neural Networks · Physics 2025-05-13 Kyungeun Kim , Christian D. Santangelo

Discrete unified gas-kinetic scheme (DUGKS) is a multi-scale numerical method for flows from continuum limit to free molecular limit, and is especially suitable for the simulation of multi-scale flows, benefiting from its multi-scale…

Computational Physics · Physics 2025-04-07 Jianfeng Chen , Sha Liu , Yong Wang , Chengwen Zhong

Granular dampers are systems used to attenuate undesired vibrations produced by mechanical devices. They consist of cavities filled by granular particles. In this work, we consider a granular damper filled with a binary mixture of…

Soft Condensed Matter · Physics 2024-03-07 Nydia Roxana Varela-Rosales , Angel Santarossa , Michael Engel , Thorsten Pöschel

We propose a discretization of vector fields that are Hamiltonian up to multiplication by a positive function on the phase space that may be interpreted as a time reparametrization. We prove that our method is structure preserving in the…

Numerical Analysis · Mathematics 2020-08-18 Luis C. García-Naranjo , Mats Vermeeren

A completely opposite behavior of electronic localization is revealed in a spatially non-uniform disordered material compared to the traditional spatially uniform disordered one. This fact is substantiated by considering an order-disorder…

Mesoscale and Nanoscale Physics · Physics 2018-12-11 Madhuparna Banerjee , Baisakhi Mal , Santanu K. Maiti

As inelastic structures are ubiquitous in many engineering fields, a central task in computational mechanics is to develop accurate, robust and efficient tools for their analysis. Motivated by the poor performances exhibited by standard…

Numerical Analysis · Mathematics 2018-09-21 Nicola A. Nodargi

We present a structure-preserving discretization of the hybrid magnetohydrodynamics (MHD)-driftkinetic system for simulations of low-frequency wave-particle interactions. The model equations are derived from a variational principle,…

Computational Physics · Physics 2025-10-09 Byung Kyu Na , Stefan Possanner , Xin Wang

Physics-based models have been mainstream in fluid dynamics for developing predictive models. In recent years, machine learning has offered a renaissance to the fluid community due to the rapid developments in data science, processing…

Machine Learning · Computer Science 2024-06-12 Omer San , Suraj Pawar , Adil Rasheed

Variational integrators are well-suited for simulation of mechanical systems because they preserve mechanical quantities about a system such as momentum, or its change if external forcing is involved, and holonomic constraints. While they…

Optimization and Control · Mathematics 2017-09-04 Elliot Johnson , Jarvis Schultz , Todd Murphey

This work focuses on the robust optimization of a permanent magnet (PM) synchronous machine while considering a driving cycle. The robustification is obtained by considering uncertainties of different origins. Firstly, there are geometrical…

Computational Engineering, Finance, and Science · Computer Science 2020-02-19 L. A. M. D'Angelo , Z. Bontinck , S. Schöps , H. De Gersem

Over many years, computational simulations based on Density Functional Theory (DFT) have been used extensively to study many different materials at the atomic scale. However, its application is restricted by system size, leaving a number of…

Mesoscale and Nanoscale Physics · Physics 2018-12-05 Carlos Romero-Muñiz , Ayako Nakata , Pablo Pou , David R. Bowler , Tsuyoshi Miyazaki , Rubén Pérez

The potential of graphene for use in photonic applications was evidenced by recent demonstrations of modulators, polarisation rotators, and isolators. These promising yet preliminary results raise crucial questions: what is the optimal…

Magnetically-sensitive experiments and newly-developed quantum technologies with integrated high-permeability magnetic shields require increasing control of their magnetic field environment and reductions in size, weight, power and cost.…

Mixed finite element methods solve a PDE using two or more variables. The theory of Discrete Exterior Calculus explains why the degrees of freedom associated to the different variables should be stored on both primal and dual domain meshes…

Differential Geometry · Mathematics 2011-05-13 Andrew Gillette , Chandrajit Bajaj

The exploration of multi-principal-component alloys (MPCAs) as potential functional materials in research is still in its early phase, with most studies centred on their potential application as structural materials. Magnetic materials…

Materials Science · Physics 2024-08-23 Palash Swarnakar , Partha Sarathi De , Amritendu Roy

We address here the discretization of the momentum convection operator for fluid flow simulations on 2D triangular and quadrangular meshes and 3D polyhedral meshes containing hexahedra, tetrahedra, prisms and pyramids. The finite volume…

Numerical Analysis · Mathematics 2022-09-15 Aubin Brunel , Raphaèle Herbin , Jean-Claude Latché
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