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Two-dimensional covalent organic frameworks (2D COFs) are an interesting class of 2D materials since their reticular synthesis allows the tailored design of structures and functionalities. For many of their applications the mechanical…

Materials Science · Physics 2023-02-08 Alexander Croy , Antonios Raptakis , David Bodesheim , Arezoo Dianat , Gianaurelio Cuniberti

Contemporary material characterisation techniques that leverage deformation fields and the weak form of the equilibrium equations face challenges in the numerical solution procedure of the inverse characterisation problem. As material…

The role of porous structure and glass density in response to compressive deformation of amorphous materials is investigated via molecular dynamics simulations. The disordered, porous structures were prepared by quenching a high-temperature…

Soft Condensed Matter · Physics 2018-09-18 Nikolai V. Priezjev , Maxim A. Makeev

Pairing the accuracy of Kohn-Sham density-functional framework with the efficiency of a stochastic algorithmic approach, mixed stochastic-deterministic Density Functional Theory (mDFT) achieves a favorable computational scaling with system…

Chemical Physics · Physics 2025-10-07 Vidushi Sharma , Lee A. Collins , Alexander J. White

Aluminum alloys are increasingly utilized as lightweight materials in the automobile industry due to their superior capability in withstanding high mechanical loads. A significant challenge impeding the large-scale use of these alloys in…

Computational Engineering, Finance, and Science · Computer Science 2022-03-31 Shiguang Deng , Carl Soderhjelm , Diran Apelian , Ramin Bostanabad

Mode-based model-reduction is used to reduce the degrees of freedom of high dimensional systems, often by describing the system state by a linear combination of spatial modes. Transport dominated phenomena, ubiquitous in technical and…

Numerical Analysis · Mathematics 2020-02-28 Julius Reiss

We investigate an application in the automatic tuning of computer codes, an area of research that has come to prominence alongside the recent rise of distributed scientific processing and heterogeneity in high-performance computing…

Applications · Statistics 2013-04-17 Robert B. Gramacy , Matt Taddy , Stefan M. Wild

Estimating optical flows is one of the most interesting problems in computer vision, which estimates the essential information about pixel-wise displacements between two consecutive images. This work introduces an efficient dual…

Optimization and Control · Mathematics 2021-10-05 Hongpeng Sun , Xue-Cheng Tai , Jing Yuan

This article combines shape optimization and homogenization techniques by looking for the optimal design of the microstructure in composite materials and of scaffolds. The development of materials with specific properties is of huge…

Optimization and Control · Mathematics 2019-07-16 Marc Dambrine , Helmut Harbrecht

This paper describes a 2D and 3D simulation engine that quantitatively models the statics, dynamics, and non-linear deformation of heterogeneous soft bodies in a computationally efficient manner. There is a large body of work simulating…

Graphics · Computer Science 2012-12-13 Jonathan Hiller , Hod Lipson

Convective drying of biomass is an important technological solution required to increase the quality of biomass for efficient biomass conversion in heat and power generation sector. We propose a fully predictive method based on iteratively…

Applied Physics · Physics 2022-05-23 Gediminas Skarbalius , Algis Dziugys , Edgaras Misiulis , Robertas Navakas

Ordinary electric woodworking tools are integrated into a multiple-object-aware augmented framework to assist operators in fabrication tasks. This study presents an advanced evaluation of the developed open-source fabrication software…

Robotics · Computer Science 2025-03-11 Andrea Settimi , Julien Gamerro , Yves Weinand

The two-scale computational homogenization method is proposed for modelling of locally periodic fluid-saturated media subjected a to large deformation induced by quasistatic loading. The periodic heterogeneities are relevant to the…

Numerical Analysis · Mathematics 2022-02-11 Vladimír Lukeš , Eduard Rohan

The variational discrete element method developed in [28] for dynamic elasto-plastic computations is adapted to compute the deformation of elastic Cosserat materials. In addition to cellwise displacement degrees of freedom (dofs), cellwise…

Numerical Analysis · Mathematics 2022-02-18 Frédéric Marazzato

This work proposes a new efficient approach for calculating the bending stiffness of two-dimensional materials using simple atomistic tests on small periodic unit cells. The tests are designed such that bending deformations are dominating…

Materials Science · Physics 2022-12-23 Farzad Shirazian , Roger A. Sauer

The hemocompatibility of blood-contacting medical devices remains one of the major challenges in biomedical engineering and makes research in the field of new and improved materials inevitable. However, current in-vitro test and analysis…

Quantitative Methods · Quantitative Biology 2020-10-14 Johanna C. Clauser , Judith Maas , Jutta Arens , Thomas Schmitz-Rode , Ulrich Steinseifer , Benjamin Berkels

In this introductory review, we give an overview of the computational chemistry methods commonly used in the field of metal-organic frameworks (MOFs), to describe or predict the structures themselves and characterize their various…

Materials Science · Physics 2016-02-02 François-Xavier Coudert , Alain H. Fuchs

Dense ground displacement measurements are crucial for geological studies but are impractical to collect directly. Traditionally, displacement fields are estimated using patch matching on optical satellite images from different acquisition…

Computer Vision and Pattern Recognition · Computer Science 2025-04-21 Juliette Bertrand , Sophie Giffard-Roisin , James Hollingsworth , Julien Mairal

Mode mixing in optical fibers caused by mechanical bending induces perturbations that distort the spatial field profile of coherent beams as they propagate through few-mode or multimode fibers. The observed output from a bent fiber commonly…

The layering approach used in fused filament fabrication (FFF) enables creation of complex designs generated by topology optimization. Defects associated with the layer-by-layer process, introduce considerable random variability to the…

Materials Science · Physics 2024-09-04 Zahra Kazemi , Craig A. Steeves