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Grain boundaries (GBs) in polycrystalline materials are powerful sinks for irradiation defects. While standard theories assume that the sink efficiency of a grain boundary is defined solely by its character before irradiation, recent…

This study explores the impact of temperature on defect dynamics in tungsten, emphasizing its application in nuclear fusion reactors as Plasma Facing Components (PFCs). Through atomistic simulations, the research elucidates the intricate…

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

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

Tungsten (W) is the leading candidate material for plasma-facing components in fusion reactors, yet its upper operational temperature is limited by premature grain growth and recrystallization processes. Irradiation adds further…

Materials Science · Physics 2026-02-23 Jinxin Yu , Sicong He , Giacomo Po , Jason R. Trelewicz , Timothy J. Rupert , Jaime Marian

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

The formation of helium cavities in coarse-grained materials produces hardening proportional to the number density and size of the cavities and due to the interaction of dislocations with intragranular helium defects. In nanostructured…

Materials Science · Physics 2023-03-28 W. S. Cunningham , Y. Zhang , S. L. Thomas , O. El-Atwani , Y. Wang , J. R. Trelewicz

Nanostructured tungsten has been reported as a possible alternative plasma-facing material due to its potential ability to self-heal radiation-induced defects, a property that is attributed to its high density of grain boundaries (GB).…

In light of the race towards macroscale superlubricity of graphitic contacts, the effect of grain boundaries on their frictional properties becomes of central importance. Here, we elucidate the unique frictional mechanisms characterizing…

Mesoscale and Nanoscale Physics · Physics 2020-08-04 Xiang Gao , Wengen Ouyang , Oded Hod , Michael Urbakh

Understanding irradiation-induced strain in silicon carbide (SiC) is essential for designing radiation-tolerant ceramic materials. However, conventional methods often fail to resolve nanoscale strain gradients, especially in polycrystalline…

Grain boundaries play a critical role in applications of superconducting Nb$_3$Sn: in dc applications, grain boundaries preserve the material's inherently high critical current density by pinning flux, while in ac applications grain…

Materials Science · Physics 2020-11-12 Michelle M. Kelley , Nathan S. Sitaraman , Tomás A. Arias

Grain boundary (GB) diffusion in polycrystalline materials is a physical phenomenon of great fundamental interest and practical significance. Although the accelerated ("short circuit") atomic transport along GBs has been known for decades,…

Materials Science · Physics 2022-08-02 Ian Chesser , Yuri Mishin

Understanding and controlling the properties and dynamics of topological defects is a lasting challenge in the study of two-dimensional materials, and is crucial to achieve high-quality films required for technological applications. Here…

Materials Science · Physics 2017-06-28 Doaa Taha , S. K. Mkhonta , K. R. Elder , Zhi-Feng Huang

Nanoindentation is a convenient method to investigate the mechanical properties of materials on small scales by utilizing low loads and small indentation depths. However, the effect of grain boundaries (GB) on the nanoindentation response…

Materials Science · Physics 2019-03-27 Songjiang Lu , Bo Zhang , Xiangyu Li , Junwen Zhao , Michael Zaiser , Haidong Fan , Xu Zhang

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 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

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

We use atomistic simulations to investigate grain boundary (GB) phase transitions in el- emental body-centered cubic (bcc) metal tungsten. Motivated by recent modeling study of grain boundary phase transitions in [100] symmetric tilt…

Materials Science · Physics 2018-04-17 Timofey Frolov , Qiang Zhu , Tomas Oppelstrup , Jaime Marian , Robert E. Rudd

Design of nuclear materials with high radiation-tolerance has great significance1, especially for the next generation of nuclear energy systems2,3. Response of nano- and poly-crystals to irradiation depends on the radiation temperature,…

Grain boundaries can exist as different grain boundary phases (also called complexions) with individual atomic structures. The thermodynamics of these defect phases in high-angle grain boundaries were studied mostly with atomistic and phase…

At very fine grain sizes, grain boundary segregation can deviate from conventional behavior due to triple junction effects. While this issue has been addressed in prior work for substitutional alloys, here we develop a framework that…

Materials Science · Physics 2024-11-28 Nutth Tuchinda , Malik Wagih , Christopher A. Schuh
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