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In this paper, we extend the discrete-to-continuum procedure we developed in our previous work to derive a continuum variational model for a hexagonal twisted bilayer material in which one layer is fixed. We use a discrete energy containing…

Materials Science · Physics 2023-02-15 Malena I. Espanol , Dmitry Golovaty , J. Patrick Wilber

Particle simulations confined by sharp walls usually develop an oscillatory density profile. For some applications, most notably soft matter liquids, this behavior is often unrealistic and one expects a monotonic density climb instead. To…

Computational Physics · Physics 2016-11-02 Airidas Korolkovas

The instability and periodic deformation of bilayer membranes during freezing processes are studied as a function of the difference of the shape energy between the high and the low temperature membrane states. It is shown that there exists…

Soft Condensed Matter · Physics 2015-06-25 Yan Jie , Zhou Haijun , Ou-Yang Zhong-can

Correctly formulated continuum models for lipid-bilayer membranes present a significant challenge to computational mechanics. In particular, the mid-surface behavior is that of a 2-dimensional fluid, while the membrane resists bending much…

Soft Condensed Matter · Physics 2017-03-08 Siming Zhao , Timothy Healey , Qingdu Li

We investigate a coupled hyperbolic-parabolic system modeling thermoelastic diffusion (resp. thermo-poroelasticity) in plates, consisting of a fourth-order hyperbolic partial differential equation for plate deflection and two second-order…

Numerical Analysis · Mathematics 2025-06-18 Neela Nataraj , Ricardo Ruiz-Baier , Aamir Yousuf

The elastic flow, which is the $L^2$-gradient flow of the elastic energy, has several applications in geometry and elasticity theory. We present stable discretizations for the elastic flow in two-dimensional Riemannian manifolds that are…

Numerical Analysis · Mathematics 2019-11-01 John W. Barrett , Harald Garcke , Robert Nürnberg

Inter-twisted bilayers of two-dimensional (2D) materials can host low-energy flat bands, which offer opportunity to investigate many intriguing physics associated with strong electron correlations. In the existing systems, ultra-flat bands…

Computational Physics · Physics 2022-03-01 Shengdan Tao , Xuanlin Zhang , Jiaojiao Zhu , Pimo He , Shengyuan A. Yang , Yunhao Lu , Su-Huai Wei

Layer formation in a thermally destabilized fluid with stable density gradient has been observed in laboratory experiments and has been proposed as a mechanism for mixing molecular weight in late stages of stellar evolution in regions which…

Astrophysics · Physics 2007-05-23 Joseph A. Biello

For most finite element simulations, boundary-conforming meshes have significant advantages in terms of accuracy or efficiency. This is particularly true for complex domains. However, with increased complexity of the domain, generating a…

Numerical Analysis · Mathematics 2021-04-07 Jan Helmig , Fabian Key , Marek Behr , Stefanie Elgeti

To simulate elastic turbulence, where viscoelasticity dominates, numerical solvers introduce an artificial stress diffusivity term to handle the steep polymer stress gradients that ensue. This has recently been shown [Gupta & Vincenzi, J.…

Fluid Dynamics · Physics 2022-07-13 Vedad Dzanic , Christopher S. From , Emilie Sauret

Fluidisation is the process by which the weight of a bed of particles is supported by a gas flow passing through it from below. When fluidised materials flow down an incline, the dynamics of the motion differ from their non-fluidised…

Fluid Dynamics · Physics 2017-10-11 D. E. Jessop , A. J. Hogg , M. A. Gilbertson , C. Schoof

Variational interpolants are an indispensable tool for the construction of gradient-flow solutions via the Minimizing Movement Scheme. The De Giorgi lemma provides the associated discrete energy-dissipation inequality. It was originally…

Analysis of PDEs · Mathematics 2026-03-19 Alexander Mielke , Riccarda Rossi

Accelerated gradient methods are the cornerstones of large-scale, data-driven optimization problems that arise naturally in machine learning and other fields concerning data analysis. We introduce a gradient-based optimization framework for…

Optimization and Control · Mathematics 2022-03-22 Param Budhraja , Mayank Baranwal , Kunal Garg , Ashish Hota

We extend the recently introduced divergence-conforming immersed boundary (DCIB) method [1] to fluid-structure interaction (FSI) problems involving closed co-dimension one solids. We focus on capsules and vesicles, whose discretization is…

Microdrop impact and spreading phenomena are explored as an interface formation process using a recently developed computational framework. The accuracy of the results obtained from this framework for the simulation of high deformation…

Fluid Dynamics · Physics 2015-06-04 J. E. Sprittles , Y. D. Shikhmurzaev

Twisted bilayer graphene exhibits isolated, relatively flat electronic bands near charge neutrality when the interlayer rotation is tuned to specific magic angles. These small misalignments, typically below 1.1{\deg}, result in long-period…

Mesoscale and Nanoscale Physics · Physics 2026-03-26 Antonio Palamara , Michele Pisarra , Antonello Sindona

This paper presents a geometric variational discretization of compressible fluid dynamics. The numerical scheme is obtained by discretizing, in a structure preserving way, the Lie group formulation of fluid dynamics on diffeomorphism groups…

Numerical Analysis · Mathematics 2018-12-17 Werner Bauer , François Gay-Balmaz

This paper studies the discretization of a homogenization and dimension reduction model for the elastic deformation of microstructured thin plates proposed by Hornung, Neukamm, and Vel\v{c}i\'c in 2014. Thereby, a nonlinear bending energy…

Numerical Analysis · Mathematics 2024-06-19 Martin Rumpf , Stefan Simon , Christoph Smoch

Wasserstein barycenters provide a principled approach for aggregating probability measures, while preserving the geometry of their ambient space. Existing discrete methods are not scalable as they assume access to the complete set of…

Machine Learning · Statistics 2026-03-10 Eduardo Fernandes Montesuma , Yassir Bendou , Mike Gartrell

Smoothed particle hydrodynamics (SPH) has been extensively used to model high and low Reynolds number flows, free surface flows and collapse of dams, study pore-scale flow and dispersion, elasticity, and thermal problems. In different…

Numerical Analysis · Mathematics 2017-12-01 Alexander A. Lukyanov , Kees Vuik