In the Double Shell Inertial Confinement Fusion concept, characterizing the shape asymmetry of imploding metal shells is vital for understanding energy-efficient compression and radiative losses of the thermonuclear fuel. The Monte Carlo N-Particle MCNP code forward models radiography of Double Shell capsule implosions using the Advanced Radiographic Capability at the National Ignition Facility. A procedure is developed for using MCNP to reconstruct density profiles from the radiograph image intensity. For a given Double Shell imploding target geometry, MCNP radiographs predict image contrast, which can help guide experimental design. In future work, the calculated MCNP synthetic radiographs will be compared with experimental radiographs to determine the radial and azimuthal density profiles of the Double Shell capsules.
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http://dx.doi.org/10.1063/5.0119329 | DOI Listing |
J Phys Chem A
December 2024
Department of Chemistry and Biochemistry, The University of Alabama, Tuscaloosa, Alabama 35487-0336, United States.
Bond dissociation energies (BDEs) and spectroscopic parameters for the ground states of YbO and NoO were calculated at the Brueckner doubles (BD(T)) level and for NoO at the coupled cluster CCSD(T) level based on the closed-shell configurations Yb(4f)O(2p) and No(5f)O(2p). For YbO, the BD(T) BDE (3.93 eV) and vibrational frequency (686.
View Article and Find Full Text PDFMol Pharm
December 2024
Pharmaceutical Technology and Biopharmaceutics, Department of Pharmacy, Ludwig-Maximilians-Universität München, Butenandtstrasse 5-13, 81377 Munich, Germany.
There is still an insufficient understanding of how the characteristics of protein drugs are maintained in the solid state of lyophilizates, including aspects such as protein distances, local environment, and structural preservation. To this end, we evaluated protein folding and the molecules' nearest environment by electron paramagnetic resonance (EPR) spectroscopy. Double electron-electron resonance (DEER) probe distances of up to approximately 200 Å and is suitable to investigate protein folding, local concentration, and aggregation, whereas electron spin echo envelope modulation (ESEEM) allows the study of the near environment within approximately 10 Å of the spin label.
View Article and Find Full Text PDFChemphyschem
December 2024
Oxford University, Department of Chemistry, UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND.
With a view towards the development of molecular spintronics, non-linear optics, and qubits, a great amount of research effort aims to establish the factors which govern the spin classification of diradicals. Electron spin resonance (ESR) is an indispensable tool for such research. However, in some cases, the mere presence of an ESR spectrum is insufficient to ascertain that the presumed diradical is indeed a triplet state.
View Article and Find Full Text PDFInorg Chem
December 2024
Laboratory of Nuclear Energy Chemistry, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049, China.
Cage-based MOFs, with their customizable chemical environments and precisely controllable nanospaces, show great potential for the selective adsorption of guest molecules with specific structures. In this work, we have constructed a novel cage-based MOF [(CH)NH][(UO)(TMTTA)]·11.5DMF·2HO (IHEP-51), utilizing a triazine derivative poly(carboxylic acid), 4,4',4″-(((1,3,5-triazine-2,4,6-triyl)tris(((4-carboxycyclohexyl)methyl)azanediyl))tris(methylene))tribenzoic acid (HTMTTA), as an organic ligand and uranyl as a metal node.
View Article and Find Full Text PDFChem Sci
December 2024
Chemistry Research Laboratory, Department of Chemistry, University of Oxford 12 Mansfield Road Oxford OX1 3TA UK +44 (0)1865 272686.
We report a new synthetic strategy for preparing well-organised, spherical and mesoporous, mixed-metal, hollow-core@layered double hydroxides. Hollow-SiO@Cu Zn Mg Al-LDHs ( + + = 2.32 ± 0.
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