Vacancy and interstitial interactions with crystal/amorphous, metal/covalent interfaces

Navale, Sanket Sunil; Demkowicz, Michael J.

doi:10.1016/j.jnucmat.2020.152329

Cited by 4 publications

(2 citation statements)

References 66 publications

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“…Suzuki and Mishin 62 calculated the formation energy of vacancies and interstitials at several grain boundaries in Cu and Al and showed low formation energies at grain boundaries compared to the bulk. Using atomistic simulations in Au|Si interface, Navale and Demkowicz 63 showed that the formation energies of both point defects, i.e., vacancies and interstitials, are lower near the interface than in bulk. Our results shown in Figure 10 agree with these previous works illustrating that the vacancy formation energies are lower at the interfaces.…”

Section: ■ Resultsmentioning

confidence: 99%

Nanoprecipitates to Enhance Radiation Tolerance in High-Entropy Alloys

Kombaiah

Zhou

Jin

et al. 2023

ACS Appl. Mater. Interfaces

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The growth of advanced energy technologies for power generation is enabled by the design, development, and integration of structural materials that can withstand extreme environments, such as high temperatures, radiation damage, and corrosion. High-entropy alloys (HEAs) are a class of structural materials in which suitable chemical elements in four or more numbers are mixed to typically produce single-phase concentrated solid solution alloys (CSAs). Many of these alloys exhibit good radiation tolerance like limited void swelling and hardening up to relatively medium radiation doses (tens of displacements per atom (dpa)); however, at higher radiation damage levels (>50 dpa), some HEAs suffer from considerable void swelling limiting their near-term acceptance for advanced nuclear reactor concepts. In this study, we developed a HEA containing a high density of Cu-rich nanoprecipitates distributed in the HEA matrix. The Cu-added HEA, NiCoFeCrCu 0.12 , shows excellent void swelling resistance and negligible radiation-induced hardening upon irradiation up to high radiation doses (i.e., higher than 100 dpa). The void swelling resistance of the alloy is measured to be significantly better than NiCoFeCr CSA and austenitic stainless steels. Density functional theory simulations predict lower vacancy and interstitial formation energies at the coherent interfaces between Cu-rich nanoprecipitates and the HEA matrix. The alloy maintained a high sink strength achieved via nanoprecipitates and the coherent interface with the matrix at a high radiation dose (∼50 dpa). From our experiments and simulations, the effective recombination of radiation-produced vacancies and interstitials at the coherent interfaces of the nanoprecipitates is suggested to be the critical mechanism responsible for the radiation tolerance of the alloy. The materials design strategy based on incorporating a high density of interfaces can be applied to high-entropy alloy systems to improve their radiation tolerance.

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Section: ■ Resultsmentioning

confidence: 99%

Nanoprecipitates to Enhance Radiation Tolerance in High-Entropy Alloys

Kombaiah

Zhou

Jin

et al. 2023

ACS Appl. Mater. Interfaces

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“…Indeed, previous studies revealed the propensity of Si 12,13 and similar SiC alloys 21 to undergo amorphization upon irradiation and heating. Only recently have work by Navale and Demkowicz 22 begin to explore the radiation tolerance and defect-sink properties for this type of covalent-metal interfaces. Additionally, the mechanical performance of these nanocomposites remains an under-explored subject, with works by several research groups 23,[24][25][26] , all focusing on a single bulk Si phase.…”

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confidence: 99%

Origins of the change in mechanical strength of silicon/gold nanocomposites during irradiation

Chen

Hopper

Santhapuram

et al. 2021

Sci Rep

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Silicon-based layered nanocomposites, comprised of covalent-metal interfaces, have demonstrated elevated resistance to radiation. The amorphization of the crystalline silicon sublayer during irradiation and/or heating can provide an additional mechanism for accommodating irradiation-induced defects. In this study, we investigated the mechanical strength of irradiated Si-based nanocomposites using atomistic modeling. We first examined dose effects on the defect evolution mechanisms near silicon-gold crystalline and amorphous interfaces. Our simulations reveal the growth of an emergent amorphous interfacial layer with increasing dose, a dominant factor mitigating radiation damage. We then examined the effect of radiation on the mechanical strength of silicon-gold multilayers by constructing yield surfaces. These results demonstrate a rapid onset strength loss with dose. Nearly identical behavior is observed in bulk gold, a phenomenon that can be rooted to the formation of radiation-induced stacking fault tetrahedra which dominate the dislocation emission mechanism during mechanical loading. Taken together, these results advance our understanding of the interaction between radiation-induced point defects and metal-covalent interfaces.

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High-entropy alloys as an irradiation-resistant structural material

Zhang,

Zhang

2024

High-Entropy Alloys

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Vacancy and interstitial interactions with crystal/amorphous, metal/covalent interfaces

Cited by 4 publications

References 66 publications

Nanoprecipitates to Enhance Radiation Tolerance in High-Entropy Alloys

Nanoprecipitates to Enhance Radiation Tolerance in High-Entropy Alloys

Origins of the change in mechanical strength of silicon/gold nanocomposites during irradiation

High-entropy alloys as an irradiation-resistant structural material

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