MOF-5 is by far the most relevant member of the new class of metal-organic framework materials and has been adopted as a case study to show that reliable ab initio prediction of materials properties of complex systems can be obtained by means of a solid state computational tool like the CRYSTAL code. Structure, electronic properties and vibrational frequencies of MOF-5 computed at the B3LYP level of theory are reported and discussed. Animations representing MOF-5 vibrations are available at the web site: www.crystal.unito.it/vibs/mof5

We present an ultrafast neural network (NN) model, QLKNN, which predicts core tokamak transport heat and particle fluxes. QLKNN is a surrogate model based on a database of 300 million flux calculations of the quasilinear gyrokinetic transport model QuaLiKiz. The database covers a wide range of realistic tokamak core parameters. Physical features such as the existence of a critical gradient for the onset of turbulent transport were integrated into the neural network training methodology. We have coupled QLKNN to the tokamak modelling framework JINTRAC and rapid control-oriented tokamak transport solver RAPTOR. The coupled frameworks are demonstrated and validated through application to three JET shots covering a representative spread of H-mode operating space, predicting turbulent transport of energy and particles in the plasma core. JINTRAC-QLKNN and RAPTOR-QLKNN are able to accurately reproduce JINTRAC-QuaLiKiz T i,e and n e profiles, but 3 to 5 orders of magnitude faster. Simulations which take hours are reduced down to only a few tens of seconds. The discrepancy in the final source-driven predicted profiles between QLKNN and QuaLiKiz is on the order 1%-15%. Also the dynamic behaviour was well captured by QLKNN, with differences of only 4%-10% compared to JINTRAC-QuaLiKiz observed at mid-radius, for a study of density buildup following the L-H transition. Deployment of neural network surrogate models in multi-physics integrated tokamak modelling is a promising route towards enabling accurate and fast tokamak scenario optimization, Uncertainty Quantification, and control applications.

The JET 2019-2020 scientific and technological programme exploited the results of years of concerted scientific and engineering work, including the ITER-like wall (ILW: Be wall and W divertor) installed in 2010, improved diagnostic capabilities now fully available, a major Neutral Beam Injection (NBI) upgrade providing record power in 2019-2020, and tested the technical & procedural preparation for safe operation with tritium. Research along three complementary axes yielded a wealth of new results. Firstly, the JET plasma programme delivered scenarios suitable for high fusion power and alpha particle physics in the coming D-T campaign (DTE2), with record sustained neutron rates, as well as plasmas for clarifying the impact of isotope mass on plasma core, edge and plasma-wall interactions, and for ITER pre-fusion power operation. The efficacy of the newly installed Shattered Pellet Injector for mitigating disruption forces and runaway electrons was demonstrated. Secondly, research on the consequences of long-term exposure to JET-ILW plasma was completed, with emphasis on wall damage and fuel retention, and with analyses of wall materials and dust particles that will help validate assumptions and codes for design & operation of ITER and DEMO. Thirdly, the nuclear technology programme aiming to deliver maximum technological return from operations in D, T and D-T benefited from the highest D-D neutron yield in years, securing results for validating radiation transport and activation codes, and nuclear data for ITER.

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