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The formation of sparingly soluble ternary Na/Mg–Np( v )–borate(s) solid phases in alkaline, dilute-to-concentrated, NaCl and MgCl 2 solutions is confirmed by a multimethod experimental approach.
The [An IV (DPA) 3 ] 2- series with An = Th, U, Np, Pu has been synthesized and characterized using SC-XRD and vibrational spectroscopy. First principles calculations were performed, the total electron density is analyzed using the Quantum Theory of Atoms in Molecules. Crystal field parameters and strength parameters are deduced following a previous work on the Ln III analog series e.g. [J. Jung et al., Chem. – Eur. J., 2019, 25, 15112]. The trends in the parameters along the series are compared to the Ln III complexes. They evidence larger covalent interactions and larger J mixing.
Covalency is complex yet central to our understanding of chemical bonding, particularly in the actinide series. In this work, we assess covalency in a series of isostructural d and f transition element compounds M(OC 6 H 5 ) 4 (M = Ti, Zr, Hf, Ce, Th, Pa, U, Np) using scalar relativistic hybrid density functional theory in conjunction with the Natural Bond Orbital (NBO), quantum theory of atoms in molecules (QTAIM) and interacting quantum atoms (IQA) approaches. The IQA exchange–correlation covalency metric is evaluated for the first time for actinides other than uranium, in order to assess its applicability in the 5f series. It is found to have excellent correlation with NBO and QTAIM covalency metrics, making it a promising addition to the computational toolkit for analysing metal–ligand bonding. Our range of metrics agree that the actinide-oxygen bonds are the most covalent of the elements studied, with those of the heavier group 4 elements the least. Within the early actinide series, Th stands apart from the other three elements considered, being consistently the least covalent.
The reduction mechanisms of Np( vi ) with hydrazinopropionitrile were theoretically explored and the pathway with water-mediated proton transfer is energetically preferred.
A template methodology was employed as an entryway into diastereopure U( iv ) and Np( iv ) organometallic complexes, and the 5f orbital contributions to bonding were determined.
In nuclei with an odd nucleon number the nonvanishing spin number density is the source of a pseudomagnetic field, which favors the splitting of the nucleon Cooper pairs. Such a pseudomagnetic field is generated always in the dynamics of any nucleus, but its effects on Cooper pairs are significantly enhanced in the dynamic evolution of nuclei with an odd number of nucleons. We present for the first time a microscopic study of the induced fission of the odd neutron compound nuclei 239 U, 241,243 Pu, and the odd proton, odd neutron compound nucleus 238 Np, performed within the time-dependent density functional theory extended to superfluid fermion systems, without any simplifying assumptions, with controlled numerical approximations, and for a very large number of initial conditions. Because of the presence of the unpaired odd nucleon(s), the time-reversal symmetry of the fission compound nucleus is spontaneously broken, an aspect routinely neglected in the most advanced microscopic approaches of the past. The emerging fission fragment properties are quite similar to the properties of fission fragments of neighboring even-even nuclei. The time from saddle-to-scission is often significantly longer in odd-odd or odd-mass nuclei than for even-even nuclei, since systems with unpaired nucleons are easier to excite and the potential energy surfaces of these nuclei have more structure, often resembling a very complicated obstacle course, rather than a more direct evolution of the nuclear shape from the top of the outer fission barrier to the scission configuration. The Pauli blocking approximation, often invoked in the literature, expected to inhibit the fission of nuclei with unpaired nucleons, is surprisingly strongly violated during the fission dynamics.
Here, we present a calculation of the radiative capture cross section of the $np→dγ$ reaction in the low-energy range, where the M1 reaction channel dominates. Employing the LENPIC nucleon-nucleon interaction up to the fifth order (N4LO) that is regularized by the semilocal coordinate space regulators, we obtain the initial and final state wave functions, and evaluate the phase shifts of the scattering state and deuteron properties. We derive the transition operator from the chiral effective field theory up to the next-to-next-to leading order (N2LO), where we also regularize the transition operator using regulators consistent with those of the interactions. We compute the capture cross sections, and the results show a converging pattern with the chiral-order expansion of the nucleon-nucleon interaction, where the regulator dependence of the results is weak when higher-order nucleon-nucleon interactions are employed. We quantify the uncertainties of the cross-section results due to the chiral-order truncation. The chirally complete and consistent cross-section results are calculated up to N2LO and they compare well with the experiments and other theoretical predictions.
This paper presents an reactive, actor-model and FBP paradigm based framework that we develop to design data-stream processing applications for HEP and NP. This framework encourages a functional decomposition of the overall data processing application into small mono-functional artifacts. Artifacts that are easy to understand, develop, deploy and debug. The fact that these artifacts (actors) are programmatically independent they can be scaled and optimized independently, which is impossible to do for components of the monolithic application. One of the important advantages of this approach is fault tolerance where independent actors can come and go on the data-stream without forcing the entire application to crash. Furthermore, it also makes it is easy to locate the faulty actor in the data pipeline. Due the fact that the actors are loosely coupled, and that the data (inevitably) carries the context, they can run on heterogeneous environments, utilizing different accelerators. This paper describes the main design concepts of the framework and presents a ?proof of concept? application design and deployment results obtain processing on-beam calorimeter streaming data.
This document describes the process used to document the fabrication of irradiation targets that may be inserted into either the High Flux Isotope Reactor (HFIR) at Oak Ridge National Laboratory (ORNL), or the Advanced Test Reactor (ATR) at Idaho National Laboratory (INL). The targets are being irradiated to produce 238 Pu (5.48Mev alpha decay, T1/2 = 87.7 y) used in the fabrication of radioisotope thermoelectric generators (RTGs). RTGs powered by 238 Pu are an established power source technology for National Aeronautics and Space Administration space missions where solar power is not viable. The documentation included in fabrication files demonstrates full traceability of all materials, components, and assemblies used to build 237 Np targets. To accomplish this, all documentation (e.g., certified material test reports, weld reports, leak test reports) will be maintained and reviewed throughout materials procurement, component fabrication, and target assembly.
In the past few years, a 44-month long aging experiment was conducted under various aging conditions. The properties of aged nitroplasticizer (NP) samples were analyzed using Fourier transform infrared spectroscopy, Karl Fischer (KF) titration, thermogravimetric analysis (TGA), liquid chromatography tandem quadrupole time of flight mass spectrometry, and ion chromatography. In this progress report, complete KF and TGA results are reported and discussed.
In the past few years, a 44-month long aging experiment was conducted under various aging conditions. The properties of aged nitroplasticizer (NP) samples were analyzed using Fourier transform infrared spectroscopy, Karl Fischer (KF) titration, thermogravimetric analysis (TGA), liquid chromatography tandem quadrupole time of flight mass spectrometry (LC/QTOF), and ion chromatography (IC). In this progress report, some FTIR results are documented and discussed. On the theoretical front, density functional theory (DFT) calculations were carried out. Some DFT results are discussed as well.
Surface-enhanced Raman spectroscopy (SERS) is an attractive vibrational spectroscopic technique that can enable a non-destructive and ultra-sensitive detection down to the single-molecule level. Herein, a novel hybrid SERS platform is developed based on hybrid core-shell (HyCoS) AgPt nanoparticles (NPs) and graphene quantum dots (GQDs) for the enhancement of Raman vibration of 4-mercaptobenzoic acid (4-MBA) and benzenethiol (BT). The unique design of HyCoS AgPt NPs induces strong electromagnetic mechanism (EM) enhancement through the amplification of electromagnetic fields by the excitation of high-density surface plasmons and hot spots. Superior localized surface plasmon resonance (LSPR) is generated by the AgPt core-shell and background Ag NP coupling, which is systematically investigated by the optical properties and FDTD simulations. The background Ag NPs can further increase the coverage of metallic NPs, leading to higher-density hot spots and enhanced SERS response. At the same time, GQDs can provide plentiful accessible edges for the charge transfer to the HOMO and LUMO of 4-MBA and BT based on the chemical mechanism (CM) enhancement. The mixing approach of GQDs and target molecules on the HyCoS AgPt NPs can significantly amplify the Raman signals via the strong adsorption of probe molecules by the π–π interaction. The enhancement factors of proposed SERS platform can reach ~10 7 and ~10 5 for the 4-MBA and BT respectively.
The Neutron Time-of-Flight (nTOF) detectors located in the Alcove and at the North Pole (Spec A and Spec NP respectively) need filtering in the beam path to enable them to take data at NIF yields above 5MJ. The filtering consists of 12cm of filter material divided into four, 3cm thick “pucks.” The pucks are 7cm in diameter. Each puck is mounted into a rotatable stage, also called a Filter Flipper, that can bring it into and out of the beam path, see Figure 1-1. These stages are bolted onto a plate that connects the filter stages to the mounting hardware used to position them in the NIF Target Bay. The top-level filter mount assemblies will be permanently mounted in the facility; removal is possible if needed for NIF maintenance, but the design intent is for the assemblies to remain in their locations after alignment is completed.
This work presents how American Science Cloud resources and services can accelerate scientific discovery across large-scale HEP & NP experiments. Our demonstrators include use cases from intensity and energy frontiers. This is a first end-to-end multi-experiment, multi-facility demonstration of AmSC platforms.
Simultaneous optical and radio observations of Crab Nebula pulsar NP 0532 and time delay analysis
Pulsed X ray emission of pulsar NP 0532 in Crab Nebula
Crab Nebula pulsar NP 0532 photoelectric spectrophotometry results, noting main pulse and interpulse spectral energy distributions similarity to extended synchrotron radiation
Crab Nebula pulsar NP 0532 simultaneous optical and radio observations, noting influence of interstellar dispersion value uncertainty