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This study delves into the complex mechanisms of defect production and accumulation in nanocrystalline tungsten under irradiation, with a particular focus on the interplay between grain boundaries and free surfaces. Through molecular…

Materials Science · Physics 2024-03-20 Yang Zhang , Predrag Krstic , Jason R. Trelewicz

The study of defect phases is important for designing nanostructured metals and alloys. Grain boundaries (GBs) form one class of defects that directly influence materials properties, such as deformability and strength. At the same time,…

Materials Science · Physics 2023-03-20 P. Mathews , S. Zhang , C. Scheu , R. Janisch , J. Neugebauer , T. Hickel

Grain boundaries (GBs) are central defects for describing polycrystalline materials, and playing major role in a wide-range of physical properties of polycrystals. Control over GB kinetics provides effective means to tailor polycrystal…

Materials Science · Physics 2018-10-10 Jian Han , Spencer L. Thomas , David J. Srolovitz

Grain boundary (GB) energy is a fundamental property that affects the form of grain boundary and plays an important role to unveil the behavior of polycrystalline materials. With a better understanding of grain boundary energy distribution…

Computational Physics · Physics 2020-02-04 Haoyu Wang , Srikanth Patala , Brian J. Reich

Materials containing a high proportion of grain boundaries offer significant potential for the development of radiation-resistent structural materials. However, a proper understanding of the connection between the radiation-induced…

Materials Science · Physics 2018-07-04 Yichao Zhu , Jing Luo , Xu Guo , Yang Xiang , Stephen Jonathan Chapman

Microstructural evolution in structural materials is known to occur in response to mechanical loading and can often accommodate substantial plastic deformation through the coupled motion of grain boundaries (GBs). This can produce desirable…

Mesoscale and Nanoscale Physics · Physics 2025-06-06 Daniel Bugas , Brandon Runnels

Understanding the nature of grain boundary (GB) characteristics in combination with creating low-energy GBs by modifying the processing conditions, so-called GB engineering, is of great importance for controlling and reducing the defect…

Superconductivity · Physics 2020-03-23 Kazumasa Iida , Jens Hänisch , Akiyasu Yamamoto

Grain boundaries (GB) profoundly influence the electrical properties of polycrystalline ionic solids. Yet, precise control of their transport characteristics has remained elusive, thereby limiting the performance of solid-state…

Grain-boundary (GB) dynamics control the stability, mechanical, and functional response of nanocrystalline materials, but direct experimental access to their slow non-equilibrium motion has been limited. Here we establish X-ray photon…

Grain boundary sliding (GBS) is a key deformation mechanism at high homologous temperatures in polycrystalline materials, however, its intrinsic behavior is often obscured by additional strain accommodation processes. In this study,…

Materials Science · Physics 2026-04-20 Divya Sri Bandla , Subin Lee , Christoph Kirchlechner

Grain boundaries (GBs) and interfaces in polycrystalline materials are significant research subjects in the field of materials science. Despite a more than 50-year history of their study, there are still many open questions. The main…

Materials Science · Physics 2021-06-28 Arslan B. Mazitov , Artem R. Oganov

Grain boundaries (GBs) in metals usually increase electrical resistivity due to their distinct atomic arrangement compared to the grain interior. While the GB structure has a crucial influence on the electrical properties, its relationship…

Materials Science · Physics 2022-01-19 Hanna Bishara , Subin Lee , Tobias Brink , Matteo Ghidelli , Gerhard Dehm

Structural transformations at interfaces are of profound fundamental interest as complex examples of phase transitions in low-dimensional systems. Despite decades of extensive research, no compelling evidence exists for structural…

Materials Science · Physics 2013-05-28 Timofey Frolov , David L. Olmsted , Mark Asta , Yuri Mishin

Grain boundaries (GBs) govern critical properties of polycrystals. Although significant advancements have been made in characterizing minimum energy GBs, real GBs are seldom found in such states, making it challenging to establish…

Materials Science · Physics 2025-01-22 Avanish Mishra , Sumit A. Suresh , Saryu J. Fensin , Nithin Mathew , Edward M. Kober

Systematic microstructure design requires reliable thermodynamic descriptions of each and all microstructure elements. While such descriptions are well established for most bulk phases, thermodynamic assessment of crystal defects is…

Materials Science · Physics 2021-07-02 Reza Darvishi Kamachali

Plastic deformation in polycrystals is governed by the interplay between intra-granular slip and grain boundary-mediated plasticity. However, while the role played by bulk dislocations is relatively well-understood, the contribution of…

Materials Science · Physics 2017-10-02 Nikhil Chandra Admal , Giacomo Po , Jaime Marian

In this paper, the Fe-20Ni-25Cr alloy that is used for fuel cladding or pressure vessels with various grain boundaries (GBs) was investigated by employing molecular dynamics simulations. The bi-crystals comprised of {\Sigma}3(111),…

Materials Science · Physics 2021-02-26 Zhijia Liu , Zehua Feng , Heran Wang , Yunpeng Zhang , Zheng Chen , Fanchao Meng , Jing Zhang

The macroscopic behavior of polycrystalline materials is influenced by the local variation of properties caused by the presence of impurities and defects. The effect of these impurities at the atomic scale can either embrittle or strengthen…

Materials Science · Physics 2014-01-23 M. Rajagopalan , M. A. Tschopp , K. N. Solanki

Grain rotation and grain boundary (GB) sliding are two important mechanisms for grain coarsening and plastic deformation in nanocrystalline materials. They are in general coupled with GB migration and the resulting dynamics, driven by…

Materials Science · Physics 2014-12-30 Anup Basak , Anurag Gupta

This study explores the intricate interactions between grain boundaries (GBs) and irradiation-induced defects in nanocrystalline iron, highlighting the role of dopants like copper. Utilizing molecular dynamics simulations, the research…

Materials Science · Physics 2024-03-20 Yang Zhang , Blas P. Uberuaga , Enrique Martinez Saez , Jason R. Trelewicz
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