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Peptide self-assembly prediction offers a powerful bottom-up strategy for designing biocompatible, low-toxicity materials for large-scale synthesis in a broad range of biomedical and energy applications. However, screening the vast sequence…

Biomolecules · Quantitative Biology 2026-04-23 Nuno Costa , Julija Zavadlav

We present an algorithm for $hp$-adaptive collocation-based mesh-free numerical analysis of partial differential equations. Our solution procedure follows a well-established iterative solve-estimate-mark-refine paradigm. The solve phase…

Numerical Analysis · Mathematics 2023-01-25 Mitja Jančič , Gregor Kosec

The wide adoption of thermoplastic composites to reduce weight in structural parts requires reliable numerical methods to account for debonding between overmolded parts. Although cohesive elements are effective for debonding, the need for…

Computational Engineering, Finance, and Science · Computer Science 2026-03-31 Sérgio G. F. Cordeiro , Boyang Chen , Frans P. van der Meer

The quasistatic behavior of a simple 2D model of a cohesive powder under isotropic loads is investigated by Discrete Element simulations. The loose packing states, as studied in a previous paper, undergo important structural changes under…

Materials Science · Physics 2008-10-27 Francisco Gilabert , Jean-Noël Roux , Antonio Castellanos

Gaussian Mixture Models (GMMs) are one of the most potent parametric density models used extensively in many applications. Flexibly-tied factorization of the covariance matrices in GMMs is a powerful approach for coping with the challenges…

Machine Learning · Computer Science 2023-11-14 Mohammad Pasande , Reshad Hosseini , Babak Nadjar Araabi

Generating realistic clothing for virtual applications like online retail and digital avatars is crucial but requires expert knowledge of 3D tools to generating believable simulations. Recently, a number of works proposed to estimate cloth…

Graphics · Computer Science 2026-05-12 Egor Larionov , Marie-Lena Eckert , Katja Wolff , Tuur Stuyck

Polymer composite performance depends significantly on the polymer matrix, additives, processing conditions, and measurement setups. Traditional physics-based optimization methods for these parameters can be slow, labor-intensive, and…

This paper presents a new progressive compression method for triangular meshes. This method, in fact, is based on a schema of irregular multi-resolution analysis and is centered on the optimization of the rate-distortion trade-off. The…

Graphics · Computer Science 2013-09-16 Zeineb Abderrahim , Elhem Techini , Mohamed Salim Bouhlel

Hyperelastic materials models are well established to describe the non-linear stress-strain relations of elastomers. In this paper, a polyurethane adhesive is considered as an exemplary material and subjected to tensile, compressive and…

Soft Condensed Matter · Physics 2018-05-29 Olaf Hesebeck , Andreas Wulf

Metamaterials exhibit materials response deviation from conventional elasticity. This phenomenon is captured by the generalized elasticity as a result of extending the theory at the expense of introducing additional parameters. These…

Computational Engineering, Finance, and Science · Computer Science 2021-06-10 Bilen Emek Abali , Emilio Barchiesi

Materials representation plays a key role in machine learning based prediction of materials properties and new materials discovery. Currently both graph and 3D voxel representation methods are based on the heterogeneous elements of the…

Materials Science · Physics 2020-10-22 Yong Zhao , Kunpeng Yuan , Yinqiao Liu , Steph-Yves Louis , Ming Hu , Jianjun Hu

Modeling folding surfaces with nonzero thickness is of practical interest for mechanical engineering. There are many existing approaches that account for material thickness in folding applications. We propose a new systematic and broadly…

Computational Geometry · Computer Science 2016-01-22 Jason S. Ku , Erik D. Demaine

Deterministic computational modeling of laser powder bed fusion (LPBF) process fails to capture irregularities and roughness of the scan track, unless expensive powder-scale analysis is used. In this work we developed a stochastic…

Computational Engineering, Finance, and Science · Computer Science 2022-08-08 Yangfan Li , Ye Lu , Abdullah Al Amin , Wing Kam Liu

We present a theory for the elasticity of cross-linked stiff polymer networks. Stiff polymers, unlike their flexible counterparts, are highly anisotropic elastic objects. Similar to mechanical beams stiff polymers easily deform in bending,…

Soft Condensed Matter · Physics 2007-11-26 C. Heussinger , B. Schaefer , E. Frey

Residual stress and plastic strain in additive manufactured materials can exhibit significant microscopic variation at the powder scale, profoundly influencing the overall properties of printed components. This variation depends on…

Materials Science · Physics 2024-06-19 Yangyiwei Yang , Somnath Bharech , Nick Finger , Xiandong Zhou , Joerg Schroeder , Bai-Xiang Xu

In this work, a recently proposed high-cycle fatigue cohesive zone model, which covers crack initiation and propagation with limited input parameters, is embedded in a robust and efficient numerical framework for simulating progressive…

Computational Engineering, Finance, and Science · Computer Science 2023-12-14 Pieter Hofman , Frans Paul van der Meer , Lambertus Johannes Sluys

In the present study, a numerical method based on a metaheuristic parametric algorithm has been developed to identify the constitutive parameters of hyperelastic models, by using FE simulations and full kinematic field measurements. The…

Classical Physics · Physics 2019-07-08 G Bastos , A Tayeb , N. Di Cesare , Jean-Benoit Le Cam , E Robin

The theoretical investigation of gas adsorption, storage, separation, diffusion and related transport processes in porous materials relies on a detailed knowledge of the potential energy surface of molecules in a stationary environment. In…

Chemical Physics · Physics 2025-01-30 Johannes K. Krondorfer , Christian W. Binder , Andreas W. Hauser

The increasing availability of full-field displacement data from imaging techniques in experimental mechanics is determining a gradual shift in the paradigm of material model calibration and discovery, from using several simple-geometry…

Computational Engineering, Finance, and Science · Computer Science 2025-07-01 Saeid Ghouli , Moritz Flaschel , Siddhant Kumar , Laura De Lorenzis

In this paper, we present a robust adaptive model predictive control (MPC) scheme for linear systems subject to parametric uncertainty and additive disturbances. The proposed approach provides a computationally efficient formulation with…

Systems and Control · Electrical Eng. & Systems 2020-03-12 Johannes Köhler , Elisa Andina , Raffaele Soloperto , Matthias A. Müller , Frank Allgöwer