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High-throughput computational materials design promises to greatly accelerate the process of discovering new materials and compounds, and of optimizing their properties. The large databases of structures and properties that result from…

Chemical Physics · Physics 2016-11-22 Sandip De , Felix Musil , Teresa Ingram , Carsten Baldauf , Michele Ceriotti

Characterizing microstructure-material-property relations calls for software tools which extract point-cloud- and continuum-scale-based representations of microstructural objects. Application examples include atom probe, electron, and…

Understanding crack propagation in structures subjected to fluid loads is crucial in various engineering applications, ranging from underwater pipelines to aircraft components. This study investigates the dynamic response of structures,…

Computational Engineering, Finance, and Science · Computer Science 2023-10-06 Md Rushdie Ibne Islam

The microscopic structure of several amorphous substances often reveals complex patterns such as medium- or long-range order, spatial heterogeneity, and even local polycrystallinity. To capture all these features, models usually incorporate…

The geometrical structure is among the most fundamental ingredients in understanding complex systems. Is there any systematic approach in defining structures quantitatively, rather than illustratively? If yes, what are the basic principles…

Fluid Dynamics · Physics 2020-05-27 Lipo Wang , Guiwen Tan , Hui Cao

Liquid metals (LM) are embedded in an elastomer matrix to obtain soft composites with unique thermal, dielectric, and mechanical properties. They have applications in soft robotics, biomedical engineering, and wearable electronics. By…

Materials Science · Physics 2025-07-25 Abhijith Thoopul Anantharanga , Mohammad Saber Hashemi , Azadeh Sheidaei

The application of modern topology optimization techniques to single physics systems has seen great advances in the last three decades. However, the application of these tools to sophisticated multiphysics systems such as fluid-structure…

Numerical Analysis · Mathematics 2023-08-11 Mohamed Abdelhamid , Aleksander Czekanski

The approach to decomposition of multidimensional network systems on monoflow multilayer network systems (MLNS) is proposed, which significantly simplifies the analysis of intersystem interactions in multipurpose and multifunctional…

Physics and Society · Physics 2023-02-07 Olexandr Polishchuk

Fracture propagation is highly sensitive to the conditions at the crack tip. In heterogeneous materials, microscale obstacles can cause propagation instabilities. Macroscopic heterogeneities modify the stress field over scales larger than…

Fluid Dynamics · Physics 2024-07-16 Sri Savya Tanikella , Marie C Sigallon , Emilie Dressaire

Dissolution in porous media and fractured rocks alters both the chemical composition of the fluid and the physical properties of the solid. Depending on system conditions, reactive flow may enlarge pores uniformly, widen pre-existing…

Geophysics · Physics 2026-03-30 Tomasz Szawełło , Jeffrey D. Hyman , Peter K. Kang , Piotr Szymczak

It is increasingly being realized that liquid-crystalline features can play an important role in the properties and dynamics of cell monolayers. Here, we present a cell-based model of cell layers, based on the phase-field formulation, that…

Soft Condensed Matter · Physics 2022-04-28 Aleksandra Ardaševa , Romain Mueller , Amin Doostmohammadi

The statistical analysis of marked point processes requires disentangling complex spatial arrangements from attribute-dependent interactions. While classical summary statistics are effective for second-order dependencies, they frequently…

Methodology · Statistics 2026-05-15 Matthias Eckardt , Mehdi Moradi

Topologically interlocked structures are assemblies of interlocking blocks that hold together solely through contact. Such structures have been shown to exhibit high strength, energy dissipation, and crack arrest properties. Recent studies…

Numerical Analysis · Mathematics 2023-10-02 Ioannis Koureas , Mohit Pundir , Shai Feldfogel , David S. Kammer

The capabilities of additive manufacturing have facilitated the design and production of mechanical metamaterials with diverse unit cell geometries. Establishing linkages between the vast design space of unit cells and their effective…

Computational Engineering, Finance, and Science · Computer Science 2025-05-05 Hooman Danesh , Maruthi Annamaraju , Tim Brepols , Stefanie Reese , Surya R. Kalidindi

A range of phenomena in the subsurface is characterised by the interplay between coupled thermal, hydraulic and mechanical processes and deforming structures such as fractures. Modelling subsurface dynamics can provide valuable…

Numerical Analysis · Mathematics 2021-09-22 Ivar Stefansson , Inga Berre , Eirik Keilegavlen

Metal-organic frameworks (MOFs) are a class of crystalline materials with promising applications in many areas such as carbon capture and drug delivery. In this work, we introduce MOFFlow, the first deep generative model tailored for MOF…

Biomolecules · Quantitative Biology 2025-03-20 Nayoung Kim , Seongsu Kim , Minsu Kim , Jinkyoo Park , Sungsoo Ahn

Materials like paper, consisting of a network of natural fibres, exposed to variations in moisture, undergo changes in geometrical and mechanical properties. This behaviour is particularly important for understanding the hygro-mechanical…

Computational Engineering, Finance, and Science · Computer Science 2020-06-26 P. Samantray , R. H. J. Peerlings , E. Bosco , M. G. D. Geers , T. J. Massart , O. Rokoš

Mathematical morphology (MM) is a powerful and widely used framework in image processing. Through set-theoretic and discrete geometric principles, MM operations such as erosion, dilation, opening, and closing effectively manipulate digital…

Software Engineering · Computer Science 2026-02-18 Chuan-Shen Hu

In many interfacial flow systems, variations of surface properties lead to novel and interesting behaviors. In this work a three-dimensional model of flow dynamics for multicomponent vesicles is presented. The surface composition is modeled…

Soft Condensed Matter · Physics 2017-12-07 Prerna Gera , David Salac

Characterizing the loss of a neural network with respect to model parameters, i.e., the loss landscape, can provide valuable insights into properties of that model. Various methods for visualizing loss landscapes have been proposed, but…