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At least 1,567 records · Page 87

Angular Correlation Date Measurements with the GeRMAC system

Advanced modeling and simulation efforts have improved at Idaho National Laboratory in recent years with a solid foundation of experimental results. Current computational methods represent significant modeling capabilities but are limited by the accuracy and availability of nuclear data. The creation of pre- and post-processing software tools to address these limitations is fundamental to the improvement of nuclear science modeling capacities. One aspect of predictive modeling tools deals with gamma-rays emitted from radionuclides, including fissile or fissionable material, fission products, or activation products, produced in reactor experiments or other neutron environments. The resulting radionuclides decay in unique ways, providing complications upon measurement as a result of random and cascade, or true, coincidence summing. These effects are not easily quantified during modeling efforts of gamma-ray source terms., The germanium rotational measurements for angular correlation (GeRMAC) system was built to quantify the relative angles for gamma rays emitted by radionuclides of interest to investigate true coincidence, or cascade, summing as well as the nuclear energy levels of decay schemes of interest. Proof of concept studies utilize a series of laboratory check sources to provide validity, and it will soon be used to perform the same measurements for fission products of interest. The resulting data can be used to implement into a Monte Carlo code, such as Geant4, to provide more precise gamma-ray source terms following irradiations of materials.

73 - NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Complete equation of state for shocked liquid nitrogen: Analytical developments

The thermodynamic response of liquid nitrogen has been studied extensively, in part, due to the long-standing interest in the high pressure and high temperature dissociation of shocked molecular nitrogen. Previous equation of state (EOS) developments regarding shocked liquid nitrogen have focused mainly on the use of intermolecular pair potentials in atomistic calculations. Here, we present EOS developments for liquid nitrogen, incorporating analytical models, for use in continuum calculations of the shock compression response. The analytical models, together with available Hugoniot data, were used to extrapolate a low pressure reference EOS for molecular nitrogen [Span, et al., J. Phys. Chem. Ref. Data 29, 1361 (2000)] to high pressures and high temperatures. Using the EOS presented here, the calculated pressures and temperatures for single shock, double shock, and multiple shock compression of liquid nitrogen provide a good match to the measured results over a broad range of P-T space. Our calculations provide the first comparison of EOS developments with recently-measured P-T states under multiple shock compression. The present EOS developments are general and are expected to be useful for other liquids that have low pressure reference EOS information available.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Non-invasive Risk Stratification for Coronary Artery Disease: Is It Time for Subclassifications?

Purpose of Review: Coronary artery disease (CAD) is the leading contributor to cardiovascular disease; it is the most prevalent non-communicable disease globally and has high morbidity, mortality and health care cost. Risk stratification is defined as prevention or containment of disease prior to it occurring or progressing, and non-invasive surrogates include history, examination, biomarkers and non-invasive imaging. This review aims to highlight advancement in current diagnostic strategies and explores gaps for CAD secondary to atherosclerosis and non-obstructive vascular diseases. Recent Findings: Cardiac risk scores have largely proven inadequate in risk stratifying heterogeneous patient populations. Greater emphasis should also be provided to posttest risk stratification. Non-invasive imaging with MRI is the most accurate but least cost efficacious presently due to availability and expertise. Echocardiography and nuclear imaging have good accuracy, but radiation limits the latter. Novel echocardiographic technologies may increase its appeal. Cardiac CT angiography is increasingly promising. Summary: Non-invasive and minimally invasive imaging has significantly influenced the cost-efficacy trajectory of coronary artery disease diagnosis and management. Recent studies suggest that future guidelines will incorporate more subclassifications from the findings of these novel technologies and for more diverse patient demographics.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Recent advances in modeling and simulation of the exposure and response of tungsten to fusion energy conditions

Under the anticipated operating conditions for demonstration magnetic fusion reactors beyond ITER, structural materials will be exposed to unprecedented conditions of irradiation, heat flux, and temperature. While such extreme environments remain inaccessible experimentally, computational modeling and simulation can provide qualitative and quantitative insights into materials response and complement the available experimental measurements with carefully validated predictions. For plasma facing components such as the first wall and the divertor, tungsten (W) has been selected as the best candidate material due to its superior high-temperature and irradiation properties. In this paper we provide a review of recent efforts in computational modeling of W both as a plasma-facing material exposed to He deposition as well as a bulk structural material subjected to fast neutron irradiation. We use a multiscale modeling approach –commonly used as the materials modeling paradigm– to define the outline of the paper and highlight recent advances using several classes of techniques and their interconnection. Here we highlight several of the most salient findings obtained via computational modeling and point out a number of remaining challenges and future research directions

fusion materials↗

Potential Impacts of Accelerated Climate Change (Second Annual Report of Work)

This study is part of the U.S. Nuclear Regulatory Commission’s (NRC) Probabilistic Flood Hazard Assessment (PFHA) research plan that aims to develop regulatory tools and guidance to support and enhance the NRC’s capacity to perform thorough and efficient reviews of license applications and license amendment requests. In Year 1, Pacific Northwest National Laboratory staff prepared an annual report that summarized recent scientific findings on climate change, with a particular focus on climatic elements that are relevant to NRC concerns on a regional level (i.e., increasing air and water temperatures, decreasing water availability, increasing frequency and intensity of storms and flooding, and sea-level rise). This report summarizes Year 2 activities, which focused on reviewing scientific findings regarding region-specific climatic extremes for the southeastern United States. According to the U.S. Global Change Research Program Third National Climate Assessment, the U.S. Southeast Region consists of 11 southeastern states, Puerto Rico, and the Virgin Islands. Except for Kentucky, Puerto Rico, and the Virgin Islands, all included states have operating nuclear power plants. Further, new nuclear power reactor permit and license applications have been submitted to the NRC in the recent past for sites located in several southeastern states. Therefore, having an improved understanding of potential climate changes and their hydrologic impacts in the Southeast Region is important to inform the PFHA research plan. Climatic features relevant to the NRC for the Southeast Region include high temperature extremes, precipitation extremes, flooding, high winds associated with tropical cyclones and tornadoes, sea-level rise, and storm surge and associated inland inundation. Drawing primarily from the climate assessment reports and peer-reviewed literature, this Year 2 annual report summarizes the observed climate, its past changes, and its projected changes, as well as 21st century hydrologic impacts in the Southeast Region. Despite the relatively mild changes observed in the past and projected in the future for the mean climate of the Southeast Region, many aspects of climatic extremes such as extreme precipitation have exhibited changes in the last century. In addition, climate and hydrologic models project further changes in the future. Pacific Northwest National Laboratory staff presented updates summarizing these findings at the Second Annual PFHA Research Workshop, which took place from January 23 to 25, 2017, at NRC Headquarters in Rockville, Maryland.

54 ENVIRONMENTAL SCIENCES↗

Recent activities for β-decay half-lives and β-delayed neutron emission of very neutron-rich isotopes

Beta-delayed neutron (βn) emitters play an important, two-fold role in the stellar nucleosynthesis of heavy elements in the 'rapid neutron-capture process' (r process). On one hand they lead to a detour of the material β-decaying back to stability. On the other hand, the released neutrons increase the neutron-to-seed ratio, and are re-captured during the freeze-out phase and thus influence the final solar r-abundance curve. A large fraction of the isotopes inside the r-process reaction path are not yet experimentally accessible and are located in the (experimental) 'Terra Incognita'. With the next generation of fragmentation and ISOL facilities presently being built or already in operation, one of the main motivation of all projects is the investigation of these very neutron-rich isotopes. A short overview of one of the planned programs to measure βn-emitters at the limits of the presently know isotopes, the BRIKEN campaign (Beta delayed neutron emission measurements at RIKEN) will be given. Presently, about 600 β-delayed one-neutron emitters are accessible, but only for a third of them experimental data are available. Reaching more neutron-rich isotopes means also that multiple neutron-emission becomes the dominant decay mechanism. About 460 β-delayed two-, three-or four-neutron emitters are identified up to now but for only 30 of them experimental data about the neutron branching ratios are available, most of them in the light mass region below A=30. The International Atomic and Energy Agency (IAEA) has identified the urgency and picked up this topic recently in a 'Coordinated Research Project' on a 'Reference Database for Beta-Delayed Neutron Emission Data'. This project will review, compile, and evaluate the existing data for neutron-branching ratios and half-lives of β-delayed neutron emitters and help to ensure a reliable database for the future discoveries of new isotopes and help to constrain astrophysical and theoretical models.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Ultrathin oxide layers for nanoscale integration of molecular light absorbers, catalysts, and complete artificial photosystems

Artificial photosynthesis is an attractive approach for the generation of renewable fuels because such systems will be suitable for deployment on highly abundant, non-arable land. Recently emerged methods of nanoscience to create conformal, ultrathin oxide layers enable the hierarchical integration of light absorbers, catalysts, and membranes into systems with far simpler synthetic approaches than available till now. This holds in particular for the coupling of molecular light absorbers and catalysts for sunlight to fuel conversion, providing photoelectrodes with greatly improved stability. Moreover, the use of ultrathin inert oxides as proton conducting, molecule impermeable membranes has opened up the integration of reduction and oxidation half reactions into complete photosynthetic systems on the shortest possible length scale-the nanometer scale. This capability affords minimization of energy-degrading resistance losses caused by ion transport over macroscale distances while separating the incompatible water oxidation and carbon dioxide reduction catalysis environments on the nanoscale. Understanding of charge transport between molecular components embedded in the oxide layers is critical for guiding synthetic design improvements of the light absorber-catalyst units to optimize performance and integrate them into complete artificial photosystems. Recent results and insights from transient optical, vibrational, and photoelectrochemical studies are presented, and future challenges and opportunities for engaging dynamic spectroscopies to accelerate the development of nanoscale integrated artificial photosystems are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Avian collision risk models for wind energy impact assessments

With the increasing global development of wind energy, collision risk models (CRMs) are routinely used to assess the potential impacts of wind turbines on birds. We reviewed and compared the avian collision risk models currently available in the scientific literature, exploring aspects such as the calculation of a collision probability, inclusion of stationary components e.g. the tower, angle of approach and uncertainty. 10 models were cited in the literature and of these, all included a probability of collision of a single bird colliding with a wind turbine during passage through the rotor swept area, and the majority included a measure of the number of birds at risk. 7 out of the 10 models calculated the probability of birds colliding, whilst the remainder used a constant. We identified four approaches to calculate the probability of collision and these were used by others. 6 of the 10 models were deterministic and included the most frequently used models in the UK, with only 4 including variation or uncertainty in some way, the most recent using Bayesian methods. Despite their appeal, CRMs have their limitations and can be ‘data hungry’ as well as assuming much about bird movement and behaviour. As data become available, these assumptions should be tested to ensure that CRMs are functioning to adequately answer the questions posed by the wind energy sector. - Highlights: • We highlighted ten models available to assess avian collision risk. • Only 4 of the models included variability or uncertainty. • Collision risk models have limitations and can be ‘data hungry’. • It is vital that the most appropriate model is used for a given task.

54 ENVIRONMENTAL SCIENCES↗

Computational prediction of type III and IV secreted effectors in Gram-negative bacteria

In this review, we provide an overview of the methods employed by four recent papers that described novel methods for computational prediction of secreted effectors from type III and IV secretion systems in Gram-negative bacteria. The results of the studies in terms of performance at accurately predicting secreted effectors and similarities found between secretion signals that may reflect biologically relevant features for recognition. We discuss the web-based tools for secreted effector prediction described in these studies and announce the availability of our tool, the SIEVEserver (http://www.biopilot.org). Finally, we assess the accuracy of the three type III effector prediction methods on a small set of proteins not known prior to the development of these tools that we have recently discovered and validated using both experimental and computational approaches. Our comparison shows that all methods use similar approaches and, in general arrive at similar conclusions. We discuss the possibility of an order-dependent motif in the secretion signal, which was a point of disagreement in the studies. Our results show that there may be classes of effectors in which the signal has a loosely defined motif, and others in which secretion is dependent only on compositional biases. Computational prediction of secreted effectors from protein sequences represents an important step toward better understanding the interaction between pathogens and hosts.

59 BASIC BIOLOGICAL SCIENCES↗

COOLING WATER ISSUES AND OPPORTUNITIES AT U.S. NUCLEAR POWER PLANTS

This report has been prepared for the Department of Energy, Office of Nuclear Energy (DOE-NE), for the purpose of providing a status report on the challenges and opportunities facing the U.S. commercial nuclear energy industry in the area of plant cooling water supply. The report was prompted in part by recent Second Circuit and Supreme Court decisions regarding cooling water system designs at existing thermo-electric power generating facilities in the U.S. (primarily fossil and nuclear plants). At issue in the courts have been Environmental Protection Agency regulations that define what constitutes “Best Technology Available” for intake structures that withdraw cooling water that is used to transfer and reject heat from the plant’s steam turbine via cooling water systems, while minimizing environmental impacts on aquatic life in nearby water bodies used to supply that cooling water. The report was also prompted by a growing recognition that cooling water availability and societal use conflicts are emerging as strategic energy and environmental issues, and that research and development (R&D) solutions to emerging water shortage issues are needed. In particular, cooling water availability is an important consideration in siting decisions for new nuclear power plants, and is an under-acknowledged issue in evaluating the pros and cons of retrofitting cooling towers at existing nuclear plants. Because of the significant ongoing research on water issues already being performed by industry, the national laboratories and other entities, this report relies heavily on ongoing work. In particular, this report has relied on collaboration with the Electric Power Research Institute (EPRI), including its recent work in the area of EPA regulations governing intake structures in thermoelectric cooling water systems.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Creep-Resistant Ferritic-Martensitic Steels for Power Plant Applications

Creep-resistant ferritic-martensitic steels are essential materials used in power plants for electricity generation. The efficiency and emissions of the plant are closely related to the operating temperature. Materials used in the hottest sections are one of the main limiting factor for plant operation at 650 °C. This review describes the recent development of creep-resistant ferritic-martensitic steels from a large dataset of in-house research. The findings are tied to available literature for discussion. A first steel, CPJ-7, was developed with an operating temperature approaching 650 °C, and a refined design, JMP, showed the potential to operate at 650 °C. Approximately fifty different ingots, each weighing ~ 7 kg, were vacuum induction melted and processed. Overall, wrought and cast versions of CPJ-7 present superior creep properties when compared to wrought and cast versions of COST alloys for steam turbine and P91/92 for boiler applications. The prolonged creep life was attributed to slowing down the process of the destabilization of the MX and M 23 C 6 precipitates at 650 °C. The cast version of CPJ-7 also revealed superior mechanical performance, above commercially available cast 9% Cr martensitic steel or derivatives. Following the work on CPJ-7, the JMP steels were designed with higher Co for increased solid solution strengthening, Si for oxidation resistance and increased W for matrix strength and stability. The JMP steels showed increases in creep life compared to CPJ-7 between 118 and 150% at 650 °C for testing at various stresses between 138 and 207 MPa. On a Larson–Miller plot, the performance of the JMP steels surpasses that of state-of-the-art MARBN steel. The influence of various elements within the composition of the alloys on the microstructure and mechanical properties is discussed. This review presents approximately 420,000 h of in-house creep testing, the equivalent of almost 50 years of cumulative creep tests.

36 MATERIALS SCIENCE↗

Second spectrum of chromium (Cr II), Part III: Radiative lifetimes and transition probabilities from highly excited 3d{sup 4}5s levels

In this study we have extended our previous investigations of Cr II spectrum to levels of the 3d{sup 4}5s configuration. Once again an overall good agreement is observed for these levels between experimental oscillator strength values and our calculated data using two different approaches, namely the oscillator strength parameterization and the HFR+CPOL methods. Recurring to the latter model we have computed radiative lifetime values for 20 3d{sup 4}5s levels, confirming the well founded basis of recent experimental data, given in literature. From the use of the former method and with the help of a least squares fitting procedure to available experimental gf-values we have taken advantage of extracting for the first time the transition radial integral value for 3d{sup 4}4p−3d{sup 4}5s, 〈4p|r{sup 1}|5s〉=1.962±0.005, which is confirmed favorably by ab initio results, obtained by the HFR method scaled by a factor 0.92 or directly by the HFR+CPOL approach. Finally a long list of semi-empirical oscillator strength, transition probability and branching fraction values is generated for around 500 Cr II transitions depopulating the 3d{sup 4}5s levels. Our new gf data are compared successfully with those given by Kurucz.

74 ATOMIC AND MOLECULAR PHYSICS↗

Mono- and dinuclear non-heme iron–nitrosyl complexes: Models for key intermediates in bacterial nitric oxide reductases

High-spin non-heme iron–nitrosyls are of direct interest to both the chemical and biological communities as these species exhibit interesting chemical properties and act as direct models for enzymatic intermediates. The electronic ground state of the ferrous NO complexes, {Fe–NO} 7 , is best described as high-spin Fe III antiferromagnetically coupled to NO - , generating the spectroscopically observed S = 3/2 ground state. These species have been identified as catalytically relevant to a variety of NO-reducing enzymes such as bacterial nitric oxide reductase (NorBC) and flavo(rubredoxin) nitric oxide reductase (FNOR). Recently, the corresponding one-electron reduced {Fe–NO} 8 (nitroxyl) complexes have also been implicated as biologically significant species. In this review the available spectroscopic data for {Fe–NO} 7 and {Fe–NO} 8 mono- and dinuclear non-heme iron–nitrosyls are summarized, and the implications of these results with respect to the electronic structures and reactivities of these species, in particular towards NO reduction, are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Conceptual design of HTS magnets for fusion nuclear science facility

Second-generation high temperature superconductors (HTS) are available for producing >20 T at the magnet bore compared to 13–16 T for lower temperature superconducting (LTS) toroidal field magnets proposed in recent fusion energy systems studies (FESS) of Fusion Nuclear Science Facility (FNSF). HTS may enable higher fusion power density and smaller device size. High current density cables of multi-layered REBCO tapes have achieved >10 kA at 4–20 K operation in short sample tests for fusion. High current density cables are required for engineering design of FNSF to allow space for interior plasma components. High current density HTS magnets are particularly attractive in reducing the size of a fusion device, beneficial for compact tokamaks, due to their space constraints. Successful HTS magnet development may enable the design of smaller and cheaper fusion pilot plants with a mission of demonstrating net electricity. It may also offer significant cost and performance advantages in non-fusion applicants such as nuclear magnetic resonance (NMR) and magnetic resonance imaging (MRI). Furthermore, we developed HTS magnet design concepts for a compact FNSF radial build in order to define the coil size, winding pack mechanical loading and engineering requirements. Partnering with vendors in the US, PPPL is also testing high current cable prototypes aiming at enabling low cost cable technology toward 100 A/mm 2 engineering current density over the winding pack desired in high field model coil development for compact fusion pilot plants.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Generation of Tunable Stochastic Sequences Using the Insulator–Metal Transition

Probabilistic computing is a paradigm in which data are not represented by stable bits, but rather by the probability of a metastable bit to be in a particular state. The development of this technology has been hindered by the availability of hardware capable of generating stochastic and tunable sequences of “1s” and “0s”. The options are currently limited to complex CMOS circuitry and, recently, magnetic tunnel junctions. Here, we demonstrate that metal–insulator transitions can also be used for this purpose. We use an electrical pump/probe protocol and take advantage of the stochastic relaxation dynamics in VO 2 to induce random metallization events. A simple latch circuit converts the metallization sequence into a random stream of 1s and 0s. The resetting pulse in between probes decorrelates successive events, providing a true stochastic digital sequence.

97 MATHEMATICS AND COMPUTING↗

Quantum Electrodynamics Effects in Heavy Ions and Atoms

Quantum electrodynamics theory of heavy ions and atoms is considered. The current status of calculations of the binding energies, the hyperfine splitting and g factor values in heavy few-electron ions is reviewed. The theoretical predictions are compared with available experimental data. A special attention is focused on tests of quantum electrodynamics in strong electromagnetic fields and on determination of the fundamental constants. Recent progress in calculations of the parity nonconservation effects with heavy atoms and ions is also reported.

74 ATOMIC AND MOLECULAR PHYSICS↗