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Since its foundations, more than one hundred years ago, the field of structural biology has strived to understand and analyze the properties of molecules and their interactions by studying the structure that they take in 3D space. However,…

Biomolecules · Quantitative Biology 2023-02-27 Gabriele Corso

Understanding how gas mixtures diffuse and distribute within porous frameworks is central to designing advanced separation and storage materials. Here, we investigate the transport and spatial distribution of binary gas mixtures in a porous…

Chemical Physics · Physics 2025-11-11 Ashok Yacham , Tarak K. Patra , Jithin John Varghese

A phenomenological model of the evolution of an ensemble of interacting dislocations in an isotropic elastic medium is formulated. The line-defect microstructure is described in terms of a spatially coarse-grained order parameter, the…

mtrl-th · Physics 2009-10-30 J. M. Rickman , Jorge Vinals

We consider a nonlinear drift-diffusion system for multiple charged species in a porous medium in 2D and 3D with periodic microstructure. The system consists of a transport equation for the concentration of the species and Poisson's…

Analysis of PDEs · Mathematics 2022-06-16 Apratim Bhattacharya , Markus Gahn , Maria Neuss-Radu

We analyze the isotropic compaction of mixtures composed of rigid and deformable incompressible particles by the non-smooth contact dynamics approach (NSCD). The deformable bodies are simulated using a hyper-elastic neo-Hookean constitutive…

Soft Condensed Matter · Physics 2020-09-30 Manuel Cárdenas-Barrantes , David Cantor , Jonathan Barés , Mathieu Renouf , Emilien Azéma

In this study, we develop a conditional diffusion model that proposes the optimal process parameters and predicts the microstructure for the desired mechanical properties. In materials development, it is costly to try many samples with…

Computational Engineering, Finance, and Science · Computer Science 2025-10-27 Arisa Ikeda , Ryo Higuchi , Tomohiro Yokozeki , Katsuhiro Endo , Yuta Kojima , Misato Suzuki , Mayu Muramatsu

The diffusive transport of biased Brownian particles in a two-dimensional symmetric channel is investigated numerically considering both the no-flow and the reflection boundary conditions at the channel boundaries. Here, the geometrical…

Soft Condensed Matter · Physics 2019-09-10 Narender Khatri , P. S. Burada

A mathematical model is developed to analyze the growth/decay rate of surface perturbations of an ultrathin metal film on an amorphous substrate (SiO_{2}). The formulation combines the approach of Mullins [J. Appl. Phys. v30, 77, 1959] for…

Materials Science · Physics 2015-06-25 Christopher Favazza , Ramki Kalyanaraman , Radhakrishna Sureshkumar

This work outlines a diffuse interface method for the study of fracture and fragmentation in ductile metals at high strain-rates in Eulerian finite volume simulations. The work is based on an existing diffuse interface method capable of…

Computational Physics · Physics 2022-10-11 Tim Wallis , Philip T. Barton , Nikolaos Nikiforakis

Structural materials are broadly used in applications such as nuclear vessels, high-temperature processes, and civil construction. Usually, during their placing and lifespan, they may present free or chemically bonded liquid phases in their…

Materials Science · Physics 2021-03-29 M. H. Moreira , R. F. Ausas , S. Dal Pont , P. I. Pelissari , A. P. Luz , V. C. Pandolfelli

A universal framework for modeling composites and fabrics of micro- and nanofibers, such as carbon nanotubes, carbon fibers and amyloid fibrils, is presented. Within this framework, fibers are represented with chains of rigid bodies, linked…

Computational Physics · Physics 2019-03-06 Igor A. Ostanin

We report a method for describing plasticity in a broad class of amorphous materials. The method is based on nonlinear (geometric) deformation theory allowing the separation of the plastic deformation from the general deformation tensor.…

Soft Condensed Matter · Physics 2007-05-23 Sergei F. Lyuksyutov , Ruslan A. Sharipov

The objective of this work is to assess computationally efficient coarse-grained plasticity models against high-fidelity crystal plasticity simulations for magnesium polycrystals over a wide range of textures and grain sizes. A basic…

Materials Science · Physics 2026-01-13 R. Vigneshwaran , Showren Datta , A. A. Benzerga , Shailendra P. Joshi

We develop a mesoscopic model to study the plastic behavior of an amorphous material under cyclic loading. The model is depinning-like and driven by a disordered thresholds dynamics which are coupled by long-range elastic interactions. We…

Soft Condensed Matter · Physics 2023-08-07 Dheeraj Kumar , Sylvain Patinet , Craig E. Maloney , Ido Regev , Damien Vandembroucq , Muhittin Mungan

Models of physical systems are used to explain and predict experimental results and observations. When students encounter discrepancies between the actual and expected behavior of a system, they revise their models to include the newly…

Physics Education · Physics 2022-07-06 Laura Ríos , Benjamin Pollard , Dimitri R. Dounas-Frazer , H. J. Lewandowski

An extremal model for the plasticity of amorphous materials is studied in a simple two-dimensional anti-plane geometry. The steady-state is analyzed through numerical simulations. Long-range spatial and temporal correlations in local slip…

Disordered Systems and Neural Networks · Physics 2009-11-07 Jean-Christophe Baret , Damien Vandembroucq , Stephane Roux

Understanding the particle-scale transition from elastic deformation to plastic flow is central to making predictions about the bulk material properties and response of disordered materials. To address this issue, we perform experiments on…

Soft Condensed Matter · Physics 2016-08-24 Carlos P. Ortiz , Robert Riehn , Karen E. Daniels

When a metal is loaded mechanically at high temperatures, i.e. above 300 $^o$C, its grain microstructure evolves due to multiple physical mechanisms. Two of which are the curvature-driven migration of the grain boundaries due to increased…

Materials Science · Physics 2024-07-26 Izzet Tarik Tandogan , Michael Budnitzki , Stefan Sandfeld

A complete approach for the determination of the complex constitutive behaviour of textile composites through finite element simulation is presented in this paper. In this work, simulations of different loading cases are carried out on…

Soft Condensed Matter · Physics 2008-12-18 Damien Durville

The elastic coupling between plastic events is generally invoked to interpret plastic properties and failure of amorphous soft glassy materials. We report an experiment where the emergence of a self-organized plastic flow is observed well…

Soft Condensed Matter · Physics 2014-05-21 Le Bouil Antoine , Amon Axelle , McNamara Sean , Crassous Jérôme