I consider the γW-box correction to superallowed nuclear β decays in the framework of dispersion relations. I address a novel effect of a distortion of the emitted electron energy spectrum by nuclear polarizabilities and show that this effect, while neglected in the literature, is sizable. The respective correction to the β^{+} spectrum is estimated to be Δ_{R}(E)=(1.6±1.6)×10^{-4}E/MeV assuming a conservative 100% uncertainty. The effect is positive definite and can be observed if a high-precision measurement of the positron spectrum is viable. If only the full rate is observed, it should be included in the calculated Ft values of nuclear decays. I argue that this novel effect should be included in the analyses of nuclear beta decay experiments to ensure the correct extraction of V_{ud} from decay rates, and of the Fierz interference term from precision measurements of decay spectra.
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http://dx.doi.org/10.1103/PhysRevLett.123.042503 | DOI Listing |
J Chem Phys
January 2025
State Key Laboratory of Physical Chemistry of Solid Surfaces, Collaborative Innovation Center of Chemistry for Energy Materials, Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, and Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, People's Republic of China.
Vibro-polaritons are hybrid light-matter states that arise from the strong coupling between the molecular vibrational transitions and the photons in an optical cavity. Developing theoretical and computational methods to describe and predict the unique properties of vibro-polaritons is of great significance for guiding the design of new materials and experiments. Here, we present the ab initio cavity Born-Oppenheimer density functional theory (CBO-DFT) and formulate the analytic energy gradient and Hessian as well as the nuclear and photonic derivatives of dipole and polarizability within the framework of CBO-DFT to efficiently calculate the harmonic vibrational frequencies, infrared absorption, and Raman scattering spectra of vibro-polaritons as well as to explore the critical points on the cavity potential energy surface.
View Article and Find Full Text PDFLangmuir
January 2025
Department of Physics, Khalifa University of Science and Technology, Abu Dhabi 127788, United Arab Emirates.
Self-assembled gold nanoparticles (Au-NPs) possess distinctive properties that are highly desirable in diverse nanotechnological applications. This study meticulously explores the size-dependent behavior of Au-NPs under an electric field, specifically focusing on sizes ranging from 5 to 40 nm, and their subsequent assembly into 2D monolayers on an n-type silicon substrate. The primary objective is to refine the assembly process and augment the functional characteristics of the resultant nanostructures.
View Article and Find Full Text PDFJ Mol Model
January 2025
Department of Chemistry, Military Institute of Engineering, Praça General Tibúrcio 80, Rio de Janeiro, Brazil.
Context: Nitrocellulose, widely used in energetic materials, is prone to thermal and chemical degradation, compromising safety and performance. Stabilizers are molecules used in the composition of nitrocellulose-based propellants to inhibit the autocatalytic degradation process that produces nitrous gases and free nitric acids. Curcumin, (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione, known for its antioxidant properties and a potential green stabilizer, was investigated using Density Functional Theory (DFT) focusing on its interaction with nitrogen dioxide.
View Article and Find Full Text PDFPoult Sci
January 2025
Interdepartmental Centre for Agri-Food Industrial Research, Alma Mater Studiorum, University of Bologna, Cesena, Italy; Department of Agricultural and Food Sciences, Alma Mater Studiorum, University of Bologna, Cesena, Italy. Electronic address:
Dielectric Spectroscopy (DS) and TimeDomain-Nuclear Magnetic Resonance (TD-NMR) were exploited to investigate water and solid dynamics in chicken's Pectoralis major muscles having macroscopically normal appearance (N) and affected by Wooden Breasts (WB) abnormality. 147 PMM were collected and classified as macroscopically normal (N) (N=74) or Wooden Breast (WB) (N=73) based on their visual appearance and manual palpation. Protons' T (transverse relaxation time), and dielectric properties were carried out.
View Article and Find Full Text PDFChempluschem
November 2024
Department of Chemistry, Sapienza University of Rome, P.le Aldo, Moro 5, Rome, 00185, Italy.
We present a computational study of the structure and of the transport properties of electrolytes based on Li[(CF₃SO₂)₂N] solutions in mixtures of sulfoxides and sulfones solvents. The simulations of the liquid phases have been carried out using molecular dynamics with a suitably parametrized model of the intermolecular potential based on a polarizable expression of the electrostatic interactions. Pulse field gradient NMR measurements have been used to validate and support the computational findings.
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