Achieving Radiation Tolerance through Non-Equilibrium Grain Boundary Structures

Vetterick, G.; Gruber, Jacob; Suri, Pranav K.; Baldwin, J. Kevin; Kirk, Marquis A.; Baldo, P. M.; Wang, Yong Q.; Misra, Amit; Tucker, Garritt J.; Taheri, Mitra L.

doi:10.1038/s41598-017-12407-2

Cited by 43 publications

(19 citation statements)

References 61 publications

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“…Although precipitation occurred, electron diffraction ( Figure 3(i)) showed only BCC related rings. For a BCC material, the Burgers vector of irradiation-created dislocation loops can be of <111> or <100> type 33,34 . Therefore, there are seven possibilities of Burgers vector variants (4 for <111> type and 3 for <100> type).…”

Section: Tem Investigation Of the Black Spotsmentioning

confidence: 99%

Outstanding radiation resistance of tungsten-based high-entropy alloys

et al. 2019

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A body-centered cubic W-based refractory high entropy alloy with outstanding radiation resistance has been developed. The alloy was grown as thin films showing a bimodal grain size distribution in the nanocrystalline and ultrafine regimes and a unique 4-nm lamella-like structure revealed by atom probe tomography (APT). Transmission electron microscopy (TEM) and x-ray diffraction show certain black spots appearing after thermal annealing at elevated temperatures. TEM and APT analysis correlated the black spots with second-phase particles rich in Cr and V. No sign of irradiation-created dislocation loops, even after 8 dpa, was observed. Furthermore, nanomechanical testing shows a large hardness of 14 GPa in the as-deposited samples, with near negligible irradiation hardening. Theoretical modeling combining ab initio and Monte Carlo techniques predicts the formation of Cr- and V-rich second-phase particles and points at equal mobilities of point defects as the origin of the exceptional radiation tolerance.

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Section: Tem Investigation Of the Black Spotsmentioning

confidence: 99%

Outstanding radiation resistance of tungsten-based high-entropy alloys

et al. 2019

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“…The higher residual stress in the composite systems can enhance diffusion to the interfaces 23 , 24 and increase the annihilation rate of point defects in the composite. Additionally, point defect annihilation has been demonstrated to be enhanced in high energy/non-equilibrium grain boundaries in single-phase nanocrystalline iron, explained by the excess free volume and disorder at the grain boundaries with strain near the grain boundaries 25 . The same phenomena are expected to be present at heterointerfaces in our three-phase system, but at a much larger and more stable grain size.…”

Section: Resultsmentioning

confidence: 99%

Improved high temperature radiation damage tolerance in a three-phase ceramic with heterointerfaces

Ohtaki

Patel

Crespillo

et al. 2018

Sci Rep

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Radiation damage tolerance for a variety of ceramics at high temperatures depends on the material’s resistance to nucleation and growth of extended defects. Such processes are prevalent in ceramics employed for space, nuclear fission/fusion and nuclear waste environments. This report shows that random heterointerfaces in materials with sub-micron grains can act as highly efficient sinks for point defects compared to grain boundaries in single-phase materials. The concentration of dislocation loops in a radiation damage-prone phase (Al2O3) is significantly reduced when Al2O3 is a component of a composite system as opposed to a single-phase system. These results present a novel method for designing exceptionally radiation damage tolerant ceramics at high temperatures with a stable grain size, without requiring extensive interfacial engineering or production of nanocrystalline materials.

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“…The microstructure of many functional materials such as solid electrolytes, batteries, and structural materials governs their dynamic response under thermal, mechanical, and electrical gradients . In the case of fuel cell technologies, the lack of groundbreaking progress can be traced to the difficulty in experimentally measuring the complex atomic level structures, properties, and kinetics responsible for the overall macroscopic performance of these systems.…”

Section: Large Scale Methods/molecular Dynamicsmentioning

confidence: 99%

Modeling Diffusion in Functional Materials: From Density Functional Theory to Artificial Intelligence

Elbaz

Furman

Toroker

2019

Adv Funct Materials

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Diffusion describes the stochastic motion of particles and is often a key factor in determining the functionality of materials. Modeling diffusion of atoms can be very challenging for heterogeneous systems with high energy barriers. In this report, popular computational methodologies are covered to study diffusion mechanisms that are widely used in the community and both their strengths and weaknesses are presented. In static approaches, such as electronic structure theory, diffusion mechanisms are usually analyzed within the nudged elastic band (NEB) framework on the ground electronic surface usually obtained from a density functional theory (DFT) calculation. Another common approach to study diffusion mechanisms is based on molecular dynamics (MD) where the equations of motion are solved for every time step for all the atoms in the system. Unfortunately, both the static and dynamic approaches have inherent limitations that restrict the classes of diffusive systems that can be efficiently treated. Such limitations could be remedied by exploiting recent advances in artificial intelligence and machine learning techniques. Here, the most promising approaches in this emerging field for modeling diffusion are reported. It is believed that these knowledge-intensive methods have a bright future ahead for the study of diffusion mechanisms in advanced functional materials.observed in liquids, gases, and solid-state materials. One of the main cornerstones for the macroscopic understanding of diffusion was laid down in the mid-19th century by Adolf Fick. By observing Graham's experiments in gases and salt water, and by the analogy between Fourier's law of thermal conduction and diffusion, Fick developed two equations known as the Fick's laws , , , J D C x y z t

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Achieving Radiation Tolerance through Non-Equilibrium Grain Boundary Structures

Cited by 43 publications

References 61 publications

Outstanding radiation resistance of tungsten-based high-entropy alloys

Outstanding radiation resistance of tungsten-based high-entropy alloys

Improved high temperature radiation damage tolerance in a three-phase ceramic with heterointerfaces

Modeling Diffusion in Functional Materials: From Density Functional Theory to Artificial Intelligence

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