Effects of More Restrictive Test Bans on Nuclear Effects Testing

<div> <div> <div> <p>In the present work we have investigated the possibility of using the Quantum Thermal Bath (QTB) method in molecular simulations of unimolecular dissociation processes. Notably, QTB is aimed in introducing quantum nuclear effects with a com- putational time which is basically the same as in newtonian simulations. At this end we have considered the model fragmentation of CH4 for which an analytical function is present in the literature. Moreover, based on the same model a microcanonical algorithm which monitor zero-point energy of products, and eventually modifies tra- jectories, was recently proposed. We have thus compared classical and quantum rate constant with these different models. QTB seems to correctly reproduce some quantum features, in particular the difference between classical and quantum activation energies, making it a promising method to study unimolecular fragmentation of much complex systems with molecular simulations. The role of QTB thermostat on rotational degrees of freedom is also analyzed and discussed. </p> </div> </div> </div>

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Vocabulary of radioanalytical methods (IUPAC Recommendations 2020)

Pure and Applied Chemistry ◽

10.1515/pac-2019-0302 ◽

2020 ◽

Vol 0 (0) ◽

Author(s):

Zhifang Chai ◽

Amares Chatt ◽

Peter Bode ◽

Jan Kučera ◽

Robert Greenberg ◽

...

Keyword(s):

Nuclear Reactions ◽

Hyperfine Interactions ◽

Chemical Species ◽

Radiation Detectors ◽

Nuclear Analysis ◽

Characterization Of Materials ◽

Nuclear Effects ◽

Nuclear Processes ◽

Radioanalytical Methods

AbstractThese recommendations are a vocabulary of basic radioanalytical terms which are relevant to radioanalysis, nuclear analysis and related techniques. Radioanalytical methods consider all nuclear-related techniques for the characterization of materials where ‘characterization’ refers to compositional (in terms of the identity and quantity of specified elements, nuclides, and their chemical species) and structural (in terms of location, dislocation, etc. of specified elements, nuclides, and their species) analyses, involving nuclear processes (nuclear reactions, nuclear radiations, etc.), nuclear techniques (reactors, accelerators, radiation detectors, etc.), and nuclear effects (hyperfine interactions, etc.). In the present compilation, basic radioanalytical terms are included which are relevant to radioanalysis, nuclear analysis and related techniques.

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