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Cryogenic electron microscopy (cryo-EM) provides a unique opportunity to study the structural heterogeneity of biomolecules. Being able to explain this heterogeneity with atomic models would help our understanding of their functional…

In this paper, we construct and analyze a multiscale (finite element) method for parabolic problems with heterogeneous dynamic boundary conditions. As origin, we consider a reformulation of the system in order to decouple the discretization…

数值分析 · 数学 2020-09-16 Robert Altmann , Barbara Verfürth

Many physics and engineering applications demand Partial Differential Equations (PDE) property evaluations that are traditionally computed with resource-intensive high-fidelity numerical solvers. Data-driven surrogate models provide an…

机器学习 · 计算机科学 2023-12-18 Raphaël Pestourie , Youssef Mroueh , Chris Rackauckas , Payel Das , Steven G. Johnson

We present an approach to numerical homogenization of the elastic response of microstructures. Our work uses deep neural network representations trained on data obtained from direct numerical simulation (DNS) of martensitic phase…

计算物理 · 物理学 2019-01-04 K. Sagiyama , K. Garikipati

Porous media are ubiquitous in energy storage and conversion, catalysis, biomechanics, hydrogeology, as well as many other fields. These materials possess high surface-to-volume ratios and their complex channels can restrict and guide the…

流体动力学 · 物理学 2025-12-04 Olivier Guévremont , Lucka Barbeau , Vaiana Moreau , Federico Galli , Nick Virgilio , Bruno Blais

In this paper, we propose and study neural network based methods for solutions of high-dimensional quadratic porous medium equation (QPME). Three variational formulations of this nonlinear PDE are presented: a strong formulation and two…

数值分析 · 数学 2022-05-09 Jianfeng Lu , Min Wang

In the present work, 3D convolutional neural networks (CNNs) are trained to link random heterogeneous, two-phase materials of arbitrary phase fractions to their elastic macroscale stiffness thus replacing explicit homogenization…

材料科学 · 物理学 2021-09-08 Bernhard Eidel

An approach to homogenization of high porosity metallic foams is explored. The emphasis is on the \Alporas{} foam and its representation by means of two-dimensional wire-frame models. The guaranteed upper and lower bounds on the effective…

材料科学 · 物理学 2016-01-26 Martin Doškář , Jan Novák

This work presents a Finite Element Model Updating inverse methodology for reconstructing heterogeneous material distributions based on an efficient isogeometric shell formulation. It uses nonlinear hyperelastic material models suitable for…

计算工程、金融与科学 · 计算机科学 2022-01-21 Bartosz Borzeszkowski , Izabela Lubowiecka , Roger A. Sauer

Simulation of multiphase poromechanics involves solving a multi-physics problem in which multiphase flow and transport are tightly coupled with the porous medium deformation. To capture this dynamic interplay, fully implicit methods, also…

数值分析 · 数学 2021-01-08 Quan M. Bui , Daniel Osei-Kuffuor , Nicola Castelletto , Joshua A. White

The complexity and heterogeneity of bone tissue require a multiscale modelling to understand its mechanical behaviour and its remodelling mechanisms. In this paper, a novel multiscale hierarchical approach including microfibril scale based…

医学物理 · 物理学 2014-03-13 Abdelwahed Barkaoui , Abdessalem Chamekh , Merzouki Tarek , Ridha Hambli , Mkaddem Ali

We consider the problem of recovering the three-dimensional atomic structure of a flexible macromolecule from a heterogeneous cryo-EM dataset. The dataset contains noisy tomographic projections of the electrostatic potential of the…

图像与视频处理 · 电气工程与系统科学 2023-02-08 Carlos Esteve-Yagüe , Willem Diepeveen , Ozan Öktem , Carola-Bibiane Schönlieb

We study phase field equations based on the diffuse-interface approximation of general homogeneous free energy densities showing different local minima of possible equilibrium configurations in perforated/porous domains. The study of such…

化学物理 · 物理学 2013-10-08 Markus Schmuck , Grigorios A. Pavliotis , Serafim Kalliadasis

Stress and material deformation field predictions are among the most important tasks in computational mechanics. These predictions are typically made by solving the governing equations of continuum mechanics using finite element analysis,…

机器学习 · 统计学 2024-06-24 George D. Pasparakis , Lori Graham-Brady , Michael D. Shields

Porous structures are materials consisting of minuscule pores, where the microstructure morphology significantly impacts their macroscopic properties. Integrating different porous structures through a blending method is indispensable to…

图形学 · 计算机科学 2024-06-03 Depeng Gao , Yang Gao , Yuanzhi Zhang , Hongwei Lin

It is well known that the classical energetically consistent micropolar model has limits in simulating the frequency band structure of packed granular materials (see Merkel et al., 2011). It is here shown that if a standard continualization…

软凝聚态物质 · 物理学 2021-04-27 Andrea Bacigalupo , Luigi Gambarotta

Avoiding over-pressurization in subsurface reservoirs is critical for applications like CO2 sequestration and wastewater injection. Managing the pressures by controlling injection/extraction are challenging because of complex heterogeneity…

计算物理 · 物理学 2022-06-23 Aleksandra Pachalieva , Daniel O'Malley , Dylan Robert Harp , Hari Viswanathan

This paper presents a methodology to learn surrogate models of steady state fluid dynamics simulations on meshed domains, based on Implicit Neural Representations (INRs). The proposed models can be applied directly to unstructured domains…

计算工程、金融与科学 · 计算机科学 2024-10-29 Giovanni Catalani , Siddhant Agarwal , Xavier Bertrand , Frederic Tost , Michael Bauerheim , Joseph Morlier

The development of a reliable and robust surrogate model is often constrained by the dimensionality of the problem. For a system with high-dimensional inputs/outputs (I/O), conventional approaches usually use a low-dimensional manifold to…

图像与视频处理 · 电气工程与系统科学 2020-10-01 Xihaier Luo , Ahsan Kareem

This paper presents an alternative approach to dehomogenisation of elastic Rank-N laminate structures based on the computer graphics discipline of phasor noise. The proposed methodology offers an improvement of existing methods, where…

计算工程、金融与科学 · 计算机科学 2023-10-10 Rebekka V. Woldseth , J. Andreas Bærentzen , Ole Sigmund
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