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Related papers: Steps towards a Dislocation Ontology for Crystalli…

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Stressed dislocation pattern formation in crystal plasticity at finite deformation is demonstrated for the first time. Size effects are also demonstrated within the same mathematical model. The model involves two extra material parameters…

Materials Science · Physics 2018-12-04 Rajat Arora , Amit Acharya

The motion of line defects (dislocations) has been studied for over 60 years but the maximum speed at which they can move is unresolved. Recent models and atomistic simulations predict the existence of a limiting velocity of dislocation…

Dislocations are at the heart of the plastic behavior of crystalline materials yet it is notoriously difficult to perform quantitative, non-intrusive, measurements of their single or collective properties. Dislocation density is a critical…

Materials Science · Physics 2012-08-31 Nicolás Mujica , María Teresa Cerda , Rodrigo Espinoza , Judit Lisoni , Fernando Lund

Materials property predictions have improved from advances in machine learning algorithms, delivering materials discoveries and novel insights through data-driven models of structure-property relationships. Nearly all available models rely…

Materials Science · Physics 2022-04-13 Yiqun Wang , Xiao-Jie Zhang , Fei Xia , Elsa A. Olivetti , Ram Seshadri , James M. Rondinelli

This paper introduces a new ontology for Materials Science Laboratory Equipment, termed MSLE. A fundamental issue with materials science laboratory (hereafter lab) equipment in the real world is that scientists work with various types of…

Artificial Intelligence · Computer Science 2023-08-17 Mehrdad Jalali , Matthias Mail , Rossella Aversa , Christian Kübel

Crystalline materials, with symmetrical and periodic structures, exhibit a wide spectrum of properties and have been widely used in numerous applications across electronics, energy, and beyond. For crystalline materials discovery,…

Computational Engineering, Finance, and Science · Computer Science 2026-02-11 Zhenzhong Wang , Haowei Hua , Wanyu Lin , Ming Yang , Kay Chen Tan

Conventional discrete-to-continuum approaches have seen their limitation in describing the collective behaviour of the multi-polar configurations of dislocations, which are widely observed in crystalline materials. The reason is that…

Materials Science · Physics 2016-04-12 Stephen Jonathan Chapman , Yang Xiang , Yichao Zhu

Educational, learning, and training materials have become extremely commonplace across the Internet. Yet, they frequently remain disconnected from each other, fall into platform silos, and so on. One way to overcome this is to provide a…

Computers and Society · Computer Science 2025-06-09 Antrea Christou , Chris Davis Jaldi , Joseph Zalewski , Hande Küçük McGinty , Pascal Hitzler , Cogan Shimizu

Understanding plastic deformation of crystals in terms of the fundamental physics of dislocations has remained a grand challenge in materials science for decades. To overcome this, the Discrete Dislocation Dynamics (DDD) method has been…

Materials Science · Physics 2024-04-03 Nicolas Bertin , Wei Cai , Sylvie Aubry , Athanasios Arsenlis , Vasily V. Bulatov

The growing reliance on digital twins across various industries and domains brings with it semantic interoperability challenges. Ontologies are a well-known strategy for addressing such challenges, though given the complexity of the…

Artificial Intelligence · Computer Science 2024-08-19 Finn Wilson , Regina Hurley , Dan Maxwell , Jon McLellan , John Beverley

A new class of matching condition between the atomistic and continuum regions is presented for the multi-scale modeling of crystals. They ensure the accurate passage of large scale information between the atomistic and continuum regions and…

Materials Science · Physics 2009-11-07 Weinan E , Zhongyi Huang

We introduce a field theoretic formalism enabling the direct study of dislocation and interstitial dynamics. Explicit expressions for the energies of such defects are given. We provide links to earlier numerical, discrete elastic, time…

Strongly Correlated Electrons · Physics 2009-05-20 V. Cvetkovic , Z. Nussinov , J. Zaanen

In semantic technologies, the shared common understanding of the structure of information among artifacts (people or software agents) can be realized by building an ontology. To do this, it is imperative for an ontology builder to answer…

Artificial Intelligence · Computer Science 2015-09-21 Thabet Slimani

Equations for dislocation evolution bridge the gap between dislocation properties and continuum descriptions of plastic behavior of crystalline materials. Computer simulations can help us verify these evolution equations and find their…

Materials Science · Physics 2020-11-11 Kamyar M. Davoudi , Joost J. Vlassak

Statistical learning of materials properties or functions so far starts with a largely silent, non-challenged step: the choice of the set of descriptive parameters (termed descriptor). However, when the scientific connection between the…

Data Analysis, Statistics and Probability · Physics 2015-03-13 Luca M. Ghiringhelli , Jan Vybiral , Sergey V. Levchenko , Claudia Draxl , Matthias Scheffler

Ontologies are widely used in materials science to describe experiments, processes, material properties, and experimental and computational workflows. Numerous online platforms are available for accessing and sharing ontologies in Materials…

Information Retrieval · Computer Science 2024-08-13 Ebrahim Norouzi , Jörg Waitelonis , Harald Sack

This work unravels the atomic details of the interaction of solute atoms with nanoscale crystalline defects. The complexity of this phenomenon is elucidated through detailed atom probe tomographic investigations on epitaxially-strained,…

Materials Science · Physics 2021-12-22 Samik Mukherjee , Simone Assali , Oussama Moutanabbir

Disclinations, first observed in mesomorphic phases, are relevant to a number of ill-ordered condensed matter media, with continuous symmetries or frustrated order. They also appear in polycrystals at the edges of grain boundaries. They are…

Soft Condensed Matter · Physics 2009-11-13 Maurice Kleman , Jacques Friedel

A computational approach has been developed for the analysis of the properties of 3D dislocation substructures generated by the vector density continuum dislocation dynamics (CDD), within the framework of crystal plasticity. In the CDD…

This paper develops a geometrical model of dislocations and disclinations in single crystals at the mesoscopic scale. In the continuation of previous work the distribution theory is used to represent concentrated effects in the defect lines…

Mathematical Physics · Physics 2015-03-13 Nicolas Van Goethem , Francois Dupret