TALYS/TENDL verification and validation processes: Outcomes and recommendations

Fleming, Michael; Sublet, J.‐Ch.; Gilbert, Mark R.; Koning, A. J.; Rochman, D.

doi:10.1051/epjconf/201714602033

Cited by 8 publications

(7 citation statements)

References 10 publications

(8 reference statements)

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“…Inventory calculations were performed using the inventory code FISPACT-II [12] and TENDL-2017 [13] nuclear data library. FISPACT-II has been developed to perform calculations of the activation of materials bombarded with energetic neutrons (or charged particles) in nuclear environments, and thereafter to trace the activation-decay during post-irradiation cooling.…”

Section: Inventory Calculationsmentioning

confidence: 99%

An atom probe tomography and inventory calculation examination of second phase precipitates in neutron irradiated single crystal tungsten

2020

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Tungsten is the prime candidate material for the plasma facing divertor system and first wall armor of future nuclear fusion reactors. However, the understanding of the microstructural and chemical evolution of pure tungsten under neutron irradiation is relatively unknown, in part due to a lack of experimental data on this topic. Here, single crystal tungsten has been irradiated in the High Flux Isotope Reactor (HFIR) at Oak Ridge National Laboratory at a nominal temperature of 700–800 °C to damage levels of 0.1 and 1.8 displacements per atom (dpa). Inventory calculations of the neutron irradiation experiments have been used to track isotope generation and decay to inform atom probe tomography (APT) results in the determination of the transmutation-induced precipitate compositions. Furthermore, APT crystallography has been used to show the relationship between precipitates and matrix. The composition of the precipitates is shown to progress towards that of the σ-phase at the highest dose studied, with those precipitates lying along crystallographic planes similar to those of displacement-induced dislocations. This work also sets the framework for APT studies of materials that contain isotopic ratios far from those observed in the natural state.

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Section: Inventory Calculationsmentioning

confidence: 99%

An atom probe tomography and inventory calculation examination of second phase precipitates in neutron irradiated single crystal tungsten

2020

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“…Table 1 shows time-averaged concentration error estimates for each element, which are derived solely from the nuclear data uncertainties in the TENDL-2017 [59] libraries used by FISPACT-II to perform the calculations. FISPACT-II obtains errors for a given nuclide/isotope (e.g.…”

Section: Tungsten Transmutationmentioning

confidence: 99%

Using first-principles calculations to predict the mechanical properties of transmuting tungsten under first wall fusion power-plant conditions

Qian¹,

Gilbert²,

Dézerald³

et al. 2021

J. Phys.: Condens. Matter

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Tungsten and tungsten alloys are being considered as leading candidates for structural and functional materials in future fusion energy devices. The most attractive properties of tungsten for the design of magnetic and inertial fusion energy reactors are its high melting point, high thermal conductivity, low sputtering yield and low long-term disposal radioactive footprint. Yet, despite these relevant features, tungsten also presents a very low fracture toughness, mostly associated with inter-granular failure and bulk plasticity, that limits its applications. Significant neutron-induced transmutation happens in these tungsten components during nuclear fusion reactions, creating transmutant elements including Re, Os and Ta. Density functional theory (DFT) calculations that allow the calculation of defect and solute energetics are critical to better understand the behavior and evolution of tungsten-based materials in a fusion energy environment. In this study, we present a novel computational approach to perform DFT calculations on transmuting materials. In particular, we predict elastic and plastic mechanical properties (such as bulk modulus, shear modulus, ductility parameter, etc) on a variety of W-X compositions that result when pure tungsten is exposed to the EU-DEMO fusion first wall conditions for ten years.

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“…While the numerical techniques employed by inventory codes like FISPACT-II or neutron transport simulators like MCNP are well-established and validated (see e.g. [50,51]), it is still the case that the quality and completeness of the underlying nuclear data strongly determines the reliability of predictions and the level of uncertainty; the latter could influence the level of conservativeness in engineering limits, which could impact on cost, and so there is a strong incentive to reduce uncertainty. Of particular importance for simulating the radiological response of Mo (or any other material) under fusion conditions is the accuracy of the integrated reaction rates that govern the production of dominant radionuclides.…”

Section: Isotopic Tailoring Of Mo: a Solution For Fusion?mentioning

confidence: 99%

Experimental validation of inventory simulations on molybdenum and its isotopes for fusion applications

2020

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Molybdenum is a potential material for future nuclear fusion experiments and power plants. It has good thermo-mechanical properties and can be readily fabricated, making it attractive as an alternative material to tungsten (the current leading candidate) for high neutron flux and high thermal load regions of fusion devices. Unfortunately, exposure to fusion neutrons is predicted to cause significant radioactivity in elemental Mo for decades and centuries after exposure, which would be a problem during maintenance and decommissioning operations. Simulation predictions indicate that Mo activation could be reduced by isotopic adjustment (biasing). If these predictions are proven and validated, and if isotopic adjustment is technically and economically feasible, then Mo could be used in future demonstration and commercial reactors without significantly increasing the amount of long-term, higher-level radioactive waste. Transmutation (inventory) simulations used to predict activation rely on nuclear reaction data. The quality of these data impact on the confidence and uncertainty associated with predictions. Recently, UKAEA has developed benchmarks to test and validate the FISPACT-II inventory code and the input nuclear data libraries. Verification of molybdenum inventory simulations is performed against experimental decay-heat measurements from JAEA’s fusion neutron source (FNS) facility and using new data acquired from γ-spectroscopy measurements of Mo irradiated in the ASP 14 MeV facility in the UK. Results demonstrate that FISPACT-II predictions (with TENDL-2019 nuclear data) for Mo are accurate on the short-timescales (minutes, hours of irradiation and minutes, days, weeks of cooling) of these laboratory experiments. However, these kinds of experiments are limited in their coverage of the important radionuclides for decay radiation from Mo on the years, decades and beyond timescales. Further experiments with fusion relevant conditions and timescales, potentially with alternative measurement techniques, are still needed.

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TALYS/TENDL verification and validation processes: Outcomes and recommendations

Cited by 8 publications

References 10 publications

An atom probe tomography and inventory calculation examination of second phase precipitates in neutron irradiated single crystal tungsten

An atom probe tomography and inventory calculation examination of second phase precipitates in neutron irradiated single crystal tungsten

Using first-principles calculations to predict the mechanical properties of transmuting tungsten under first wall fusion power-plant conditions

Experimental validation of inventory simulations on molybdenum and its isotopes for fusion applications

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