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Journal Articles

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

Gilbert, M. R.*; Arakawa, Kazuto*; Suzudo, Tomoaki; Tsuru, Tomohito; 26 of others*

Journal of Nuclear Materials, 554, p.153113_1 - 153113_31, 2021/10

 Times Cited Count:33 Percentile:90.46(Materials Science, Multidisciplinary)

Modelling will continue to do so until the first generation of fusion power plants come on line and allow long-term behaviour to be observed. In the meantime, the modelling is supported by experiments that attempt to replicate some aspects of the eventual operational conditions. In 2019, a group of leading experts met under the umbrella of the IEA to discuss the current position and ongoing challenges in modelling of fusion materials and how advanced experimental characterisation is aiding model improvement. This review draws from the discussions held during that workshop. Topics covering modelling of irradiation-induced defect production and fundamental properties, gas behaviour, clustering and segregation, defect evolution and interactions are discussed, as well as new and novel multiscale simulation approaches, and the latest efforts to link modelling to experiments through advanced observation and characterisation techniques.

Journal Articles

Role of higher-order effects in spin-misalignment small-angle neutron scattering of high-pressure torsion nickel

Oba, Yojiro; Bersweiler, M.*; Titov, I.*; Adachi, Nozomu*; Todaka, Yoshikazu*; Gilbert, E. P.*; Steinke, N.-J.*; Metlov, K. L.*; Michels, A.*

Physical Review Materials (Internet), 5(8), p.084410_1 - 084410_9, 2021/08

 Times Cited Count:3 Percentile:22.01(Materials Science, Multidisciplinary)

Journal Articles

Revealing defect-induced spin disorder in nanocrystalline Ni

Bersweiler, M.*; Sinaga, E. P.*; Peral, I.*; Adachi, Nozomu*; Bender, P.*; Steinke, N.-J.*; Gilbert, E. P.*; Todaka, Yoshikazu*; Michels, A.*; Oba, Yojiro

Physical Review Materials (Internet), 5(4), p.044409_1 - 044409_7, 2021/04

 Times Cited Count:7 Percentile:48.44(Materials Science, Multidisciplinary)

Journal Articles

The Joint evaluated fission and fusion nuclear data library, JEFF-3.3

Plompen, A. J. M.*; Cabellos, O.*; De Saint Jean, C.*; Fleming, M.*; Algora, A.*; Angelone, M.*; Archier, P.*; Bauge, E.*; Bersillon, O.*; Blokhin, A.*; et al.

European Physical Journal A, 56(7), p.181_1 - 181_108, 2020/07

 Times Cited Count:321 Percentile:99.41(Physics, Nuclear)

The Joint Evaluated Fission and Fusion nuclear data library 3.3 is described. New evaluations for neutron-induced interactions with the major actinides $$^{235}$$U, $$^{238}$$U and $$^{239}$$Pu, on $$^{241}$$Am and $$^{23}$$Na, $$^{59}$$Ni, Cr, Cu, Zr, Cd, Hf, W, Au, Pb and Bi are presented. It includes new fission yileds, prompt fission neutron spectra and average number of neutrons per fission. In addition, new data for radioactive decay, thermal neutron scattering, gamma-ray emission, neutron activation, delayed neutrons and displacement damage are presented. JEFF-3.3 was complemented by files from the TENDL project. The libraries for photon, proton, deuteron, triton, helion and alpha-particle induced reactions are from TENDL-2017. The demands for uncertainty quantification in modeling led to many new covariance data. A comparison between results from model calculations using the JEFF-3.3 library and those from benchmark experiments for criticality, delayed neutron yields, shielding and decay heat, reveals that JEFF-3.3 is excellent for a wide range of nuclear technology applications, in particular nuclear energy.

Journal Articles

Neutron-induced damage simulations; Beyond defect production cross-section, displacement per atom and iron-based metrics

Sublet, J.-Ch.*; Bondarenko, I. P.*; Bonny, G.*; Conlin, J. L.*; Gilbert, M. R.*; Greenwood, L. R.*; Griffin, P. J.*; Helgesson, P.*; Iwamoto, Yosuke; Khryachkov, V. A.*; et al.

European Physical Journal Plus (Internet), 134(7), p.350_1 - 350_50, 2019/07

 Times Cited Count:18 Percentile:54.51(Physics, Multidisciplinary)

Nuclear reaction with nuclear data is the origin of defects produced by cascade damage in irradiated materials. Therefore, it is important to consider nuclear reaction correctly for calculations of the damage energy of Primary Knock on Atom (PKA) and the number of Displacement Per Atom (DPA). Here, radiation damage metrics considering nuclear reaction enables us to simulate transport of each defect and clustering defects in the irradiated material. This paper reviews the theory of nuclear reaction and damage energy and describes the latest methodologies about uncertainty propagation and quantification in nuclear data and damage calculations based on molecular dynamics.

Journal Articles

Recent advances in modeling and simulation of the exposure and response of tungsten to fusion energy conditions

Marian, J.*; Becquart, C. S.*; Domain, C.*; Dudarev, S. L.*; Gilbert, M. R.*; Kurtz, R. J.*; Mason, D. R.*; Nordlund, K.*; Sand, A. E.*; Snead, L. L.*; et al.

Nuclear Fusion, 57(9), p.092008_1 - 092008_26, 2017/06

 Times Cited Count:104 Percentile:99.25(Physics, Fluids & Plasmas)

Under the anticipated operating conditions for demonstration magnetic fusion reactors beyond ITER, structural materials will be exposed to unprecedented conditions of irradiation, heat flux, and temperature. While such extreme environments remain inaccessible experimentally, computational modeling and simulation can provide qualitative and quantitative insights into materials response and complement the available experimental measurements. For plasma facing components such as the first wall and the divertor, tungsten (W) has been selected as the best candidate material due to its superior high-temperature and irradiation properties. In this paper we provide a review of recent efforts in computational modeling of W both as a plasma-facing material as well as a bulk structural material subjected to fast neutron irradiation. We highlight several of the most salient findings obtained via computational modeling and point out a number of remaining future challenges.

Oral presentation

Revealing defect-induced spin disorder in nanocrystalline Ni

Bersweiler, M.*; Sinaga, E. P.*; Peral, I.*; Adachi, Nozomu*; Bender, P.*; Steinke, N.-J.*; Gilbert, E. P.*; Todaka, Yoshikazu*; Oba, Yojiro; Michels, A.*

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