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- B. Brant Carvalho, Paulo H., 1990-
(författare)
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Pressure-Induced Amorphization and Distinct Amorphous States of Clathrate Hydrates
- 2023
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Doktorsavhandling (övrigt vetenskapligt/konstnärligt)abstract
- This thesis summarizes a study on the pressure-induced amorphization (PIA) and structures of amorphous states of clathrate hydrates (CHs).PIA involves the transition of a crystalline material into an amorphous solid in response of mechanical compression at temperatures well below the melting point. The first material observed to undergo PIA was hexagonal ice. More recently it was shown that compounds of water undergo the same phenomenon without decomposition, despite the presence of solutes. CHs, which are crystalline inclusion compounds consisting of water molecules encaging small guest species, undergo PIA at ca. 1–4 GPa below 145 K. The obtained amorphous CH phase can be further densified on isobaric heating at high pressure. This annealing step enables to retain an amorphous material on pressure release. There has been a significant amount of studies into the understanding of the nature of PIA and transformations between amorphous phases of pure ice. The aim of this thesis has been the understanding of the PIA in CHs and its relation to pure ice. New information on the nature of PIA and subsequent amorphous-amorphous transitions in CH systems were gained from structural studies and in situ neutron diffraction played pivotal role due to the sensitivity of neutrons to the light element hydrogen. Here a generalized understanding of the PIA in CHs and a clear image of amorphous CH structures are presented.
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| 2. |
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| 3. |
- Hobirk, J., et al.
(författare)
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The JET hybrid scenario in Deuterium, Tritium and Deuterium-Tritium
- 2023
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Ingår i: Nuclear Fusion. - : Institute of Physics Publishing (IOPP). - 0029-5515 .- 1741-4326. ; 63:11
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Tidskriftsartikel (refereegranskat)abstract
- The JET hybrid scenario has been developed from low plasma current carbon wall discharges to the record-breaking Deuterium-Tritium plasmas obtained in 2021 with the ITER-like Be/W wall. The development started in pure Deuterium with refinement of the plasma current, and toroidal magnetic field choices and succeeded in solving the heat load challenges arising from 37 MW of injected power in the ITER like wall environment, keeping the radiation in the edge and core controlled, avoiding MHD instabilities and reaching high neutron rates. The Deuterium hybrid plasmas have been re-run in Tritium and methods have been found to keep the radiation controlled but not at high fusion performance probably due to time constraints. For the first time this scenario has been run in Deuterium-Tritium (50:50). These plasmas were re-optimised to have a radiation-stable H-mode entry phase, good impurity control through edge Ti gradient screening and optimised performance with fusion power exceeding 10 MW for longer than three alpha particle slow down times, 8.3 MW averaged over 5 s and fusion energy of 45.8 MJ.
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| 4. |
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| 5. |
- North, Klaus, et al.
(författare)
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4.1 Knowledge risks in supply chain interactions of SMEs : An exploratory study
- 2020
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Ingår i: Knowledge Management in Digital Work Environments: State-of-the-Art and Outlook. - Bonn : Gesellschaft für Informatik. - 9783885796978 - 9783947796007 ; , s. 161-171
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Konferensbidrag (refereegranskat)abstract
- Due to digitalization organizations increasingly interact with other organizations. Data, information, and knowledge are exchanged along the supply chain. This not only creates benefits but also creates manifold risks. The latter is particularly relevant for SMEs being usually the weaker partner in vendor buyer relations. This paper explores knowledge risks associated with supply chain interactions. Risks are identified for three phases of a typical vendor and buyer relations cycle: the preparation phase, the development and learning phase, and the operational phase. The relevance of the relations presented will have to be empirically validated. For this, explorative focus groups involving SMEs from Portugal and Italy were conducted. The overall aims of the ongoing research project are first, to raise awareness among SMEs about these risks, and secondly, to provide training and assistance for these companies on how to avoid or mitigate these risks.
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| 7. |
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| 8. |
- Couto, Rafael Carvalho, et al.
(författare)
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Breaking inversion symmetry by protonation : Experimental and theoretical NEXAFS study of the diazynium ion, N2H
- 2021
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Ingår i: Physical Chemistry, Chemical Physics - PCCP. - : Royal Society of Chemistry (RSC). - 1463-9076 .- 1463-9084. ; 23:32, s. 17166-17176
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Tidskriftsartikel (refereegranskat)abstract
- As an example of symmetry breaking in NEXAFS spectra of protonated species we present a high resolution NEXAFS spectrum of protonated dinitrogen, the diazynium ion N2H+. By ab initio calculations we show that the spectrum consists of a superposition of two nitrogen 1s absorption spectra, each including a π∗ band, and a nitrogen 1s to H+ charge transfer band followed by a weak irregular progression of high energy excitations. Calculations also show that, as an effect of symmetry breaking by protonation, the π∗ transitions are separated by 0.23 eV, only slightly exceeding the difference in the corresponding dark (symmetry forbidden) and bright (symmetry allowed) core excitations of neutral N2. By DFT and calculations and vibrational analysis, the complex π∗ excitation band of N2H+ is understood as due to the superposition of the significantly different vibrational progressions of excitations from terminal and central nitrogen atoms, both leading to bent final state geometries. We also show computationally that the electronic structure of the charge transfer excitation smoothly depends on the nitrogen-proton distance and that there is a clear extension of the spectra going from infinity to close nitrogen-proton distance where fine structures show some, although not fully detailed, similarities. An interesting feature of partial localization of the nitrogen core orbitals, with a strong, non-monotonous, variation with nitrogen-proton distance could be highlighted. Specific effects could be unraveled when comparing molecular cation NEXAFS spectra, as represented by recently recorded spectra of N2+ and CO+, and spectra of protonated molecules as represented here by the N2H+ ion. Both types containing rich physical effects not represented in NEXAFS of neutral molecules because of the positive charge, whereas protonation also breaks the symmetry. The effect of the protonation on dinitrogen can be separated in charge, which extends the high-energy part of the spectrum, and symmetry-breaking, which is most clearly seen in the low-energy π∗ transition.
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| 9. |
- Eriksson, Benjamin, et al.
(författare)
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Determining the fuel ion ratio for D(T)and T(D) plasmas at JET using neutron time-of-flight spectrometry
- 2022
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Ingår i: Plasma Physics and Controlled Fusion. - : Institute of Physics (IOP). - 0741-3335 .- 1361-6587. ; 64
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Tidskriftsartikel (refereegranskat)abstract
- The fusion fuel ion ratio, nΤ/nD, is an important plasma parameter that needs to be tuned to maximize the power of a tokamak type fusion reactor. It is recognized as a parameter required for optimizing several ITER operating scenarios, and will likely be continuously monitored in future high-performance fusion devices such as DEMO. Tritium was recently introduced in the Joint European Torus (JET) plasma for the first time since the 1997 DTE1 and 2003 TTE campaigns, enabling the possibility to investigate fuel ion ratios. We present a method for measuring nΤ/nD using neutron time-of-flight (TOF) spectrometry. By fitting the measured neutron spectral features, the relative reaction rate intensities between different ion species can be inferred, from which the fuel ion ratio can be extracted for a corresponding modeled reactivity. Unlike previous measurements of nT/nD using neutron spectrometry, we utilize the neutron energy continuum produced in the three-body TT reaction to determine the fuel ion ratio for plasmas with large concentrations of tritium. Furthermore, the use of neutron TOF spectrometry has never previously been demonstrated for evaluating nT/nD. The method is applied to TOF spectra acquired with TOFOR (JET name KM11) and shown to be consistent with the optical JET diagnostic KT5P which uses optical spectroscopy of a modified Penning gauge plasma to measure tritium and deuterium concentrations in the divertor exhaust gas.
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| 10. |
- Fernandes, Arthur B., et al.
(författare)
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Recoverable and Reusable Polymer Microbead-Supported Metal Nanocatalysts for Redox Chemical Transformations
- 2020
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Ingår i: ACS APPLIED NANO MATERIALS. - : AMER CHEMICAL SOC. - 2574-0970. ; 3:2, s. 1722-1730
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Tidskriftsartikel (refereegranskat)abstract
- Metal nanoparticles have been widely exploited in catalysis, but their full impact on the environment and human health is still under debate. Here we describe the one-step fabrication of recoverable and reusable polymer microbead-supported metal and metal oxide nanocatalysts for application in batch reactions and flow systems. Au, Ag, and Fe3O4 nanoparticles were prepared directly at the surface of commercial benzylamine-coated spherical polymer beads in water by using low-energy microwave radiation for 5 min. The functionalization of microbead surface with betalamic acid, an antioxidant from plant origin, before irradiation changes the morphology and catalytic properties of the grafted nanoparticles. No leaching of the active phase was observed during the application of these effective and ready-to-use nanocatalysts on the reduction of 4-nitrophenol and oxidation of dihydrorhodamine 123. The supported nanocatalysts were recovered by filtration and/or magnetic separation and reused up to three times without significant drop in catalytic performance. These results can stimulate the controlled and facile synthesis of recoverable microbead-supported magnetic and nonmagnetic nanocatalysts that can be applied under myriad reaction conditions and reused multiple times.
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