DIFFER: Publications
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Phase and defect evolution in uranium-nitrogen-oxygen system under irradiation
Uranium mononitride (UN) with 5 wt.% uranium dioxide (UO2) is used as a model system to study the phase and defect evolution under proton irradiation in nitride-oxide composite. Phase composition, crystallographic orientation relationships (ORs) and dislocation loops were characterized using X-ray diffraction, transmission electron microscopy, and energy dispersive X-ray spectroscopy techniques. Proton-irradiation at elevated temperatures promoted the transformation of UN into uranium sesquinitride (U2N3) and UO2 phases. U2N3 and UO2 formed a fully coherent structure with two ORs: {002}U2N3 parallel to{002}UO2 and [001]U2N3 parallel to[001]UO2; U2N3{101}parallel to UO2{101} and U2N3[101]parallel to UO2[101] due to low lattice misfit (2.3%) and low interfacial energy (127 mJ/m(2)). Observed oxidation of UN and coherent interface are consistent with density-functional theory calculations which suggest lower energy for oxidized configuration and low energy of the interface. The dislocation loops grew while their number density decreased with the temperature and dose. The loop size was over three times larger in two nitride phases than that in UO2, while the number density was one order of magnitude higher in UO2 than in nitride phases. Loop density and diameter were analyzed using a kinetic rate theory that considers stoichiometric loop evolution. This analysis led to the conclusion in all compounds loop growth is governed by mobility of uranium interstitials, and enabled measurement of diffusion coefficients of uranium interstitials and non-metal interstitials and vacancies. This analysis provided a comparative study of early stage of microstructure evolution under irradiation which has implications for use of this mixture as advanced fuel in nuclear energy systems.</p
Thermalized collisional pre-sheath detected in dense plasma with coherent and incoherent Thomson scattering
In the direct vicinity of plasma-facing surfaces, the incident plasma particles interact with surface-recombined neutrals. Remarkably high near-surface pressure losses were observed in the high-flux linear plasma generator Magnum-PSI. Combining the incoherent and coherent Thomson scattering diagnostics, we directly measured particle, momentum and energy fluxes down to 3 mm from the plasma target surface. At the surface, the particle and total heat flux were also measured, using respectively an in-target Langmuir probe and thermographic methods. The near-surface momentum and energy losses scale with density, and amount to at least 50 % and 20%, respectively, at ne=8centerdot1020m-3. These losses are attributed to the efficient exchange of charge, momentum and energy between incident plasma and surface-recombined neutrals. In low-temperature plasmas with sufficient density, incident particles go through several cycles of interaction and surface deposition before leaving the plasma, thereby providing an effective alternative dissipation channel to the incident plasma. Parallel plasma parameter profiles exhibit a transition with increasing plasma density. In low-density conditions, the plasma temperature is constant and near-surface ion acceleration is observed, attributed to the ambipolar electric field. Conversely, deceleration and plasma cooling are observed in dense conditions. These results are explained by the combined effect of ion-neutral friction and electron-ion thermal equilibration in the so-called thermalized collisional pre-sheath. The energy available for ambipolar acceleration is thus reduced, as well as the upstream flow velocity. In the ITER divertor, enhanced near-surface p-n interaction is expected as well, given the overlap in plasma conditions. Including these effects in finite-element scrape-off layer models requires a near-surface resolution smaller than the neutral mean free path. This amounts to 1 mm in Magnum-PSI, and possibly an order of magnitude smaller in ITER.</p
Quasilinear gyrokinetic theory: a derivation of QuaLiKiz
In order to predict and analyse turbulent transport in tokamaks, it is important to model transport that arises from microinstabilities. For this task, quasilinear codes have been developed that seek to calculate particle, angular momentum and heat fluxes, both quickly and accurately. In this tutorial, we present a derivation of one such code known as QuaLiKiz, a quasilinear gyrokinetic transport code. The goal of this derivation is to provide a self-contained and complete description of the underlying physics and mathematics of QuaLiKiz from first principles. This work serves both as a comprehensive overview of QuaLiKiz specifically as well as an illustration for deriving quasilinear models in general.</p
Flame bands: CO + O chemiluminescence as a measure of gas temperature
Carbon monoxide flame band emission (CO+O → CO2+hV) in CO2 microwave plasma is quantified by obtaining absolute calibrated emission spectra at various locations in the plasma afterglow while simultaneously measuring gas temperatures using rotational Raman scattering. Comparison of our results to literature reveals a contribution of O2 Schumann-Runge UV emission at T > 1500 K. This UV component likely results from the collisional exchange of energy between CO2(1B) and O2. Limiting further analysis to T < 1500 K, we demonstrate the utility of CO flame band emission by analyzing afterglows at different plasma conditions. We show that the highest energy efficiency for CO production coincides with an operating condition where very little heat has been lost to the environment prior to ∼3 cm downstream, while simultaneously, T ends up below the level required to effectively freeze in CO. This observation demonstrates that, in CO2 plasma conversion, optimizing for energy efficiency does not require a sophisticated downstream cooling method.</p
First-principle based multi-channel integrated modelling in support to the design of the Divertor Tokamak Test facility
An intensive integrated modelling work of main scenarios of the new tokamak DTT (Divertor Tokamak Test facility) with the Single Null divertor configuration has been performed using first-principle quasi-linear transport models, in support to the design of the device and to the definition of its scientific work-programme. First results of this integrated modelling work on DTT (R0= 2.14 m, a= 0.65 m) are presented here along with outcome of the gyrokinetic simulations used to validate the reduced models in the DTT range of parameters. As a result of this work, the heating mix was defined, the size of device was increased to R0= 2.19 m and a= 0.70 m, the use of pellets for fuelling has been advised and reference profiles for diagnostic design, estimates of neutron yields and fast particle losses have become available.</p
Relation between the Electronic Properties of Regioregular Donor-Acceptor Terpolymers and Their Binary Copolymers
Applicability study of pulsed laser beam welding on ferritic-martensitic ODS eurofer steel
Pulsed laser beam welding was used successfully to join the oxide dispersion-strengthened (ODS) Eurofer steel. The joining was conducted with a laser power of 2500 W and a pulsed duration of 4 ms. With the filler material being used, a minor material loss and microvoids were observed in the joint. The microstructure of the fusion zone consists of dual phase elongated structures. The heat-affected zone has a width of around 0.06 mm with finer grains. The transmission electron microscopy observation reveals that nanoprecipitates are finely distributed in the fusion zone. The tensile strength, yield strength and elongation of the joint are slightly inferior to the base material. The fractography results reveal a typical ductile fracture. The experimental results indicate a reasonable joint from the perspective of both the microstructure and mechanical behaviour
An artificial intelligence-aided virtual screening recipe for two-dimensional materials discovery
In recent years, artificial intelligence (AI) methods have prominently proven their use in solving complex problems. Across science and engineering disciplines, the data-driven approach has become the fourth and newest paradigm. It is the burgeoning of findable, accessible, interoperable, and reusable (FAIR) data generated by the first three paradigms of experiment, theory, and simulation that has enabled the application of AI methods for the scientific discovery and engineering of compounds and materials. Here, we introduce a recipe for a data-driven strategy to speed up the virtual screening of two-dimensional (2D) materials and to accelerate the discovery of new candidates with targeted physical and chemical properties. As a proof of concept, we generate new 2D candidate materials covering an extremely large compositional space, downselect 316,505 likely stable 2D materials, and predict the key physical properties of these new 2D candidates. Finally, we hone in on the most propitious candidates of functional 2D materials for energy conversion and storage.</p