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Fracture mechanics is crucial for many fields of engineering, as precisely predicting failure of structures and parts is required for efficient designs. The simulation of failure processes is, from a mechanical and a numerical point of…

Materials Science · Physics 2022-06-15 Sebastian Pech , Markus Lukacevic , Josef Füssl

This short paper presents the potential of using machine learning to predict materials behaviour in the context of hydrogen interaction with steel. Effort has been made to understand the quality, and amount of data needed to get improved…

Materials Science · Physics 2021-10-22 M. Amir Siddiq

A fiber bundle model in $(1+1)$-dimensions for the breaking of fibrous composite matrix is introduced. The model consists of $N$ parallel fibers fixed in two plates. When one of the plates is pulled in the direction parallel to the fibers,…

Condensed Matter · Physics 2009-10-22 A. T. Bernardes , J. G. Moreira

Accurate prediction of the force required to puncture a soft material is critical in many fields like medical technology, food processing, and manufacturing. However, such a prediction strongly depends on our understanding of the complex…

Soft Condensed Matter · Physics 2023-08-16 Stefano Fregonese , Zhiyuan Tong , Sibo Wang , Mattia Bacca

Understanding and predicting microstructure evolution is fundamental to materials science, as it governs the resulting properties and performance of materials. Traditional simulation methods, such as phase-field models, offer high-fidelity…

Machine Learning · Computer Science 2026-02-24 Michael Trimboli , Mohammed Alsubaie , Sirani M. Perera , Ke-Gang Wang , Xianqi Li

We study experimentally the fracture mechanisms of a model cohesive granular medium consisting of glass beads held together by solidified polymer bridges. The elastic response of this material can be controlled by changing the cross-linking…

Soft Condensed Matter · Physics 2018-05-29 Alexander Schmeink , Lucas Goehring , Arnaud Hemmerle

In this paper, we present a machine learning-based data generator framework tailored to aid researchers who utilize simulations to examine various physical systems or processes. High computational costs and the resulting limited data often…

Machine Learning · Computer Science 2023-05-17 Sabber Ahamed , Md Mesbah Uddin

Machine Learning (ML) techniques are revolutionizing the way to perform efficient materials modeling. Nevertheless, not all the ML approaches allow for the understanding of microscopic mechanisms at play in different phenomena. To address…

Materials Science · Physics 2022-06-22 Udaykumar Gajera , Loriano Storchi , Danila Amoroso , Francesco Delodovici , Silvia Picozzi

While machine learning has emerged in recent years as a useful tool for rapid prediction of materials properties, generating sufficient data to reliably train models without overfitting is still impractical for many applications. Towards…

Materials Science · Physics 2022-07-29 Rees Chang , Yu-Xiong Wang , Elif Ertekin

Accurately modeling friction in robotics remains a core challenge, as robotics simulators like MuJoCo and PyBullet use simplified friction models or heuristics to balance computational efficiency with accuracy, where these simplifications…

Robotics · Computer Science 2026-03-20 Asutay Ozmen , João P. Hespanha , Katie Byl

Property prediction accuracy has long been a key parameter of machine learning in materials informatics. Accordingly, advanced models showing state-of-the-art performance turn into highly parameterized black boxes missing interpretability.…

Materials Science · Physics 2023-08-03 Vadim Korolev , Pavel Protsenko

Simulating dynamic rupture propagation is challenging due to the uncertainties involved in the underlying physics of fault slip, stress conditions, and frictional properties of the fault. A trial and error approach is often used to…

Geophysics · Physics 2019-06-17 Sabber Ahamed , Eric G. Daub

Atomistic simulations of matter, especially those that leverage first-principles (ab initio) electronic structure theory, provide a microscopic view of the world, underpinning much of our understanding of chemistry and materials science.…

Chemical Physics · Physics 2025-09-08 Ilyes Batatia , Philipp Benner , Yuan Chiang , Alin M. Elena , Dávid P. Kovács , Janosh Riebesell , Xavier R. Advincula , Mark Asta , Matthew Avaylon , William J. Baldwin , Fabian Berger , Noam Bernstein , Arghya Bhowmik , Filippo Bigi , Samuel M. Blau , Vlad Cărare , Michele Ceriotti , Sanggyu Chong , James P. Darby , Sandip De , Flaviano Della Pia , Volker L. Deringer , Rokas Elijošius , Zakariya El-Machachi , Fabio Falcioni , Edvin Fako , Andrea C. Ferrari , John L. A. Gardner , Mikolaj J. Gawkowski , Annalena Genreith-Schriever , Janine George , Rhys E. A. Goodall , Jonas Grandel , Clare P. Grey , Petr Grigorev , Shuang Han , Will Handley , Hendrik H. Heenen , Kersti Hermansson , Christian Holm , Cheuk Hin Ho , Stephan Hofmann , Jad Jaafar , Konstantin S. Jakob , Hyunwook Jung , Venkat Kapil , Aaron D. Kaplan , Nima Karimitari , James R. Kermode , Panagiotis Kourtis , Namu Kroupa , Jolla Kullgren , Matthew C. Kuner , Domantas Kuryla , Guoda Liepuoniute , Chen Lin , Johannes T. Margraf , Ioan-Bogdan Magdău , Angelos Michaelides , J. Harry Moore , Aakash A. Naik , Samuel P. Niblett , Sam Walton Norwood , Niamh O'Neill , Christoph Ortner , Kristin A. Persson , Karsten Reuter , Andrew S. Rosen , Louise A. M. Rosset , Lars L. Schaaf , Christoph Schran , Benjamin X. Shi , Eric Sivonxay , Tamás K. Stenczel , Viktor Svahn , Christopher Sutton , Thomas D. Swinburne , Jules Tilly , Cas van der Oord , Santiago Vargas , Eszter Varga-Umbrich , Tejs Vegge , Martin Vondrák , Yangshuai Wang , William C. Witt , Thomas Wolf , Fabian Zills , Gábor Csányi

Materials informatics offers a promising pathway towards rational materials design, replacing the current trial-and-error approach and accelerating the development of new functional materials. Through the use of sophisticated data analysis…

Materials Science · Physics 2018-05-17 Cormac Toher , Corey Oses , Stefano Curtarolo

Fracture surfaces provide various types of information about fracture. The fracture toughness $K_{{\rm I}c}$, which represents the resistance to fracture, can be estimated using the three-dimensional (3D) information of a fracture surface,…

Materials Science · Physics 2022-05-02 Yoh-ichi Mototake , Kaita Ito , Masahiko Demura

Inelastic mechanical responses in solids, such as plasticity, damage and crack initiation, are typically modeled in constitutive ways that display microstructural and loading dependence. Nevertheless, {linear} elasticity at infinitesimal…

Applied Physics · Physics 2019-12-23 Stefanos Papanikolaou

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

This work presents a two-stage physics-informed, data-driven constitutive modeling framework for hyperelastic soft materials undergoing progressive damage and failure. The framework is grounded in the concept of hyperelasticity with energy…

Computational Engineering, Finance, and Science · Computer Science 2026-02-13 Kshitiz Upadhyay

Metal-insulator transition (MIT) materials are a useful platform for emerging microelectronic, optoelectronic, and neuromorphic devices, but their discovery is hindered by the high computational cost of electronic structure modeling, the…

Fracture processes in heterogeneous materials comprise a large number of disordered spatial degrees of freedom, representing the dynamical state of a sample over the entire domain of interest. This complexity is usually modeled directly,…

Statistical Mechanics · Physics 2014-08-25 Yon Visell , Guillaume Millet