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A discrete model describing defects in crystal lattices and having the standard linear anisotropic elasticity as its continuum limit is proposed. The main ingredients entering the model are the elastic stiffness constants of the material…

Materials Science · Physics 2007-05-23 A. Carpio , L. L. Bonilla

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

The use of coherent x-ray beams has been greatly developing for the past decades. They are now used by a wide scientific community to study biological materials, phase transitions in crystalline materials, soft matter, magnetism, strained…

Materials Science · Physics 2010-09-01 V. L. R. Jacques , S. Ravy , D. Le Bolloc'h , E. Pinsolle , M. Sauvage-Simkin , F. Livet

Dislocations are the carriers of plasticity in crystalline materials. Their collective interaction behavior is dependent on the strain rate and sample size. In small specimens, details of the nucleation process are of particular importance.…

Materials Science · Physics 2020-11-05 Jianqiao Hu , Hengxu Song , Zhanli Liu , Zhuo Zhuang , Xiaoming Liu , Stefan Sandfeld

Precise knowledge of X-ray diffraction profile shape is crucial in the investigation of the properties of matter in crystals powder. Line-broadening analysis is a pre-processing step in most of the full powder pattern fitting softwares.…

Spectral Theory · Mathematics 2007-05-23 M. Ladisa , A. Lamura , T. Laudadio , G. Nico

We present a mesoscale description of deformations and defects in thin, flexible sheets with crystalline order, tackling the interplay between in-plane elasticity, out-of-plane deformation, as well as dislocation nucleation and motion. Our…

Materials Science · Physics 2025-02-26 Lucas Benoit--Maréchal , Ingo Nitschke , Axel Voigt , Marco Salvalaglio

Research in the field of Materials Science and Engineering focuses on the design, synthesis, properties, and performance of materials. An important class of materials that is widely investigated are crystalline materials, including metals…

Materials Science · Physics 2023-09-14 Ahmad Zainul Ihsan , Said Fathalla , Stefan Sandfeld

We investigate the retrieval of spatially resolved atomic displacements via the phases of the direct(real)-space image reconstructed from the strained crystal's coherent x-ray diffraction pattern. We demonstrate that limiting the spatial…

Materials Science · Physics 2014-07-16 A. A. Minkevich , M. Köhl , S. Escoubas , O. Thomas , T. Baumbach

The large amount of powder diffraction data for which the corresponding crystal structures have not yet been identified suggests the existence of numerous undiscovered, physically relevant crystal structure prototypes. In this paper, we…

Materials Science · Physics 2024-10-31 Abhijith S. Parackal , Rhys E. A. Goodall , Felix A. Faber , Rickard Armiento

Plastic deformation of micron-scale crystalline solids exhibits stress-strain curves with significant sample-to-sample variations. It is a pertinent question if this variability is purely random or to some extent predictable. Here we show,…

Disordered Systems and Neural Networks · Physics 2020-01-31 Henri Salmenjoki , Mikko J. Alava , Lasse Laurson

Smectic liquid crystals can be viewed as model systems for lamellar structures for which there has been extensive theoretical development. We demonstrate that a nonlinear energy description is required with respect to the usual Landau-de…

The modeling of realistic magnetic materials requires the inclusion of defects. Based on the pseudospectral Landau-Lifshitz description of magnetisation dynamics, we propose a statistical model that takes into account defects, specifically…

Mesoscale and Nanoscale Physics · Physics 2026-03-12 C. Eagan , M. Copus , E. Iacocca

Material properties strongly depend on the nature and concentration of defects. Characterizing these features may require nano- to atomic-scale resolution to establish structure-property relationships. 4D-STEM, a technique where diffraction…

Materials Science · Physics 2023-05-03 Stephanie M. Ribet , Colin Ophus , Roberto dos Reis , Vinayak P. Dravid

Dislocations control the mechanical behavior of crystalline materials, yet their quantitative characterization in bulk has remained elusive. Transmission Electron Microscopy provides atomic-scale resolution but is restricted to thin foils,…

Materials Science · Physics 2026-03-05 A. Benhadjira , C. Detlefs , S. Borgi , V. Favre-Nicolin , C. Yildirim

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

Grazing incidence X-ray diffraction (GIXD) is widely used for the structural characterization of thin films, particularly for analyzing phase composition and the orientation distribution of crystallites. While various tools exist for…

X-ray diffraction is ideal for probing sub-surface state during complex or rapid thermomechanical loading of crystalline materials. However, challenges arise as the size of diffraction volumes increases due to spatial broadening and…

Materials Science · Physics 2025-01-10 Rachel E. Lim , Shun-Li Shang , Chihpin Chuang , Thien Q. Phan , Zi-Kui Liu , Darren C. Pagan

We provide a comprehensive theoretical framework to study how crystal dislocations influence the functional properties of materials, based on the idea of quantized dislocation, namely a "dislon". In contrast to previous work on dislons…

Materials Science · Physics 2018-03-14 Mingda Li , Yoichiro Tsurimaki , Qingping Meng , Nina Andrejevic , Yimei Zhu , Gerald D. Mahan , Gang Chen

Topological defects, such as disclination lines in nematic liquid crystals, are fundamental to many physical systems and applications. In this work, we study the behavior of nematic disclinations in thin parallel-plate geometries with…

Soft Condensed Matter · Physics 2025-08-05 Yehonatan Tsubery , Hillel Aharoni

Understanding the evolution of dislocation structures during plastic deformation is critical for predicting the mechanical performance of metallic materials. In this work, we applied in situ scanning electron microscopy/electron backscatter…

Materials Science · Physics 2026-03-24 Mikhail Lebyodkin , Maxim Gussev , Jamieson Brechtl , Tatiana Lebedkina