Perspectives on multiscale modelling and experiments to accelerate materials development for fusion

Gilbert, Mark R.; Arakawa, Kazuto; Bergstrom, Z.J.; Caturla, M.J.; Dudarev, S. L.; Gao, Fei; Goryaeva, Alexandra M.; Hu, Sanmei; Hu, Xunxiang; Kurtz, Richard J.; Litnovsky, A.; Marian, Jaime; Marinica, Mihai-Cosmin; Martínez, E.; Marquis, Emmanuelle A.; Mason, Daniel R.; Nguyen, Ba Nghiep; Olsson, Pär; Osetsky, Yu.N.; Senor, David J.; Short, Michael P.; Suzudo, Tomoaki; Trelewicz, Jason R.; Tsuru, Tomohito; Was, Gary S.; Wirth, Brian D.; Li, Yang; Zhang, Yanwen; Zinkle, Steven J.

doi:10.1016/j.jnucmat.2021.153113

Cited by 53 publications

(21 citation statements)

References 357 publications

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“…But there remains a challenge when using such information to parameterise a potential that can reproduce these density function theory-predicted equilibrium structures and thence provide predictive modelling capabilities for dynamic scenarios. Machine learning has recently been shown capable of bridging the gap between quantum and classical (MD) methods to provide accurate potentials for other elemental systems for fusion applications such as W [408,434]. The method demonstrated could be applied to multi-component systems if sufficient training configurations can be generated from first principles, and thus allow for atomistic simulations with predictive modelling capability to support the future development and characterisation of fusion structural steels in multiscale frameworks combining a variety of techniques at various scales.…”

Section: Multiscale Modellingmentioning

confidence: 99%

“…Regardless of the choice of structural and functional materials, it is unlikely that experimental testing alone will provide sufficient data to predict all aspects of engineering performance in future fusion builds. The challenge for modelling is to integrate and extrapolate from fundamental approaches at small length and time scales out to engineering-relevant predictions of performance at the reactor scale (size and operational time); this requires a so-called multiscale approach [408].…”

Section: Multiscale Modellingmentioning

confidence: 99%

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Irradiation damage concurrent challenges with RAFM and ODS steels for fusion reactor first-wall/blanket: a review

et al. 2022

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Reduced activation ferritic-martensitic (RAFM) and oxide dispersion strengthened (ODS) steels are the most promising candidates for fusion first-wall/blanket (FW/B) structures. Performance of these steels will deteriorate in-service due to neutron damage and transmutation-induced gases like helium/hydrogen at elevated operating temperatures. Here, after highlighting the operating conditions of fusion reactor concepts and a brief overview, the major irradiation-induced degradation challenges associated with RAFM/ODS steels are discussed. Their long-term degradation scenarios such as (i) low temperature hardening-embrittlement (LTHE) - including dose-temperature dependent yield stress, tensile elongations, necking ductility, test temperature effect on hardening, Charpy impact ductile to brittle transition temperature and fracture toughness, (ii) inter-mediate temperature cavity swelling, (iii) the effect of helium on LTHE and cavity swelling, (iv) irradiation creep and (v) tritium management issues are reviewed. The potential causes of LTHE are discussed that highlights need for advanced characterization techniques. Mechanical properties including tensile/Charpy impact of RAFM and ODS steels are compared to show that current generation of ODS steels also suffer from LTHE, and they can show irradiation hardening up to high temperatures, ~400-500 °C. To minimize this, future ODS steel development for FW/B specific application should target materials with lower Cr concentration (to minimize α’) and minimize other elements that could form embrittling phases under irradiation. RAFM steel designing activities targeting improvements in creep and LTHE are reviewed. The need to better understand synergistic effects of helium on thermo-mechanical properties in the entire temperature range of FW/B is highlighted. Because fusion operating conditions will be complex including stresses due to magnetic field, primary loads like coolant pressure, secondary loads from thermal gradients, and due to spatial variation in damage levels and gas production rates, an experimentally validated multi-scale modelling approach is suggested as a pathway to future reactor component designing such as for the fusion neutron science facility

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Section: Multiscale Modellingmentioning

confidence: 99%

Section: Multiscale Modellingmentioning

confidence: 99%

Irradiation damage concurrent challenges with RAFM and ODS steels for fusion reactor first-wall/blanket: a review

et al. 2022

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“…Dedicated studies using atom probe tomography [31,69] have confirmed the segregation of yttrium toward the boundary of W-Cr grains and preferential formation of yttrium-containing oxides. These findings will be summarized in a dedicated paper in the near future.…”

Section: Fundamental Research On Smart Systemsmentioning

confidence: 99%

Advanced Self-Passivating Alloys for an Application under Extreme Conditions

Litnovsky

Klein

Tan

et al. 2021

Metals

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Self-passivating Metal Alloys with Reduced Thermo-oxidation (SMART) are under development for the primary application as plasma-facing materials for the first wall in a fusion DEMOnstration power plant (DEMO). SMART materials must combine suppressed oxidation in case of an accident and an acceptable plasma performance during the regular operation of the future power plant. Modern SMART materials contain chromium as a passivating element, yttrium as an active element and a tungsten base matrix. An overview of the research and development program on SMART materials is presented and all major areas of the structured R&D are explained. Attaining desired performance under accident and regular plasma conditions are vital elements of an R&D program addressing the viability of the entire concept. An impressive more than 104-fold suppression of oxidation, accompanied with more than 40-fold suppression of sublimation of tungsten oxide, was attained during an experimentally reproduced accident event with a duration of 10 days. The sputtering resistance under DEMO-relevant plasma conditions of SMART materials and pure tungsten was identical for conditions corresponding to nearly 20 days of continuous DEMO operation. Fundamental understanding of physics processes undergone in the SMART material is gained via fundamental studies comprising dedicated modeling and experiments. The important role of yttrium, stabilizing the SMART alloy microstructure and improving self-passivating behavior, is under investigation. Activities toward industrial up-scale have begun, comprising the first mechanical alloying with an industrial partner and the sintering of a bulk SMART alloy sample with dimensions of 100 mm × 100 mm × 7 mm using an industrial facility. These achievements open the way to further expansion of the SMART technology toward its application in fusion and potentially in other renewable energy sources such as concentrated solar power stations.

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“…Materials in extreme radiation environments-from nuclear energy systems, to particle accelerators, to satellites-experience some of the most demanding sets of conditions for components in-service (Allen et al, 2010;Gilbert et al, 2021). In addition to elevated temperatures, stresses, and corrosive species, materials must withstand fluxes of high energy particles, often over long operational lifetimes.…”

Section: Introductionmentioning

confidence: 99%

Towards Quantitative Inference of Nanoscale Defects in Irradiated Metals and Alloys

Hirst

Dennett

2022

Front. Mater.

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Quantifying the population of nanoscale defects that are formed in metals and alloys exposed to extreme radiation environments remains a pressing challenge in materials science. These defects both fundamentally alter material properties and seed long-timescale performance degradation, which often limits the lifespan of engineering systems. Unlike ceramic and semiconducting materials, these defects in metals and alloys are not spectroscopically active, forcing characterization to rely on indirect measurements from which the distribution of nanoscale defects may be inferred. In this mini-review, different experimental methodologies which have been employed for defect inference are highlighted to capture the current state of the art. Future directions in this area are proposed, which, by combining data streams from multiple and complementary characterization methods in concert with multi-scale modeling and simulation, will enable the ultimate goal of quantifying the full spectrum of defects in irradiated metals and alloys.

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Perspectives on multiscale modelling and experiments to accelerate materials development for fusion

Cited by 53 publications

References 357 publications

Irradiation damage concurrent challenges with RAFM and ODS steels for fusion reactor first-wall/blanket: a review

Irradiation damage concurrent challenges with RAFM and ODS steels for fusion reactor first-wall/blanket: a review

Advanced Self-Passivating Alloys for an Application under Extreme Conditions

Towards Quantitative Inference of Nanoscale Defects in Irradiated Metals and Alloys

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