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At least 991 records · Page 55

Photoelectron spectroscopy in molecular physical chemistry

Photoelectron spectroscopy has long been a powerful method in the toolbox of experimental physical chemistry and molecular physics. Recent improvements in coincidence methods, charged-particle imaging, and electron energy resolution have greatly expanded the variety of environments in which photoelectron spectroscopy can be applied, as well as the range of questions that can now be addressed. In this Perspectives Article, we focus on selected recent studies that highlight these advances and research areas. Furthermore, the topics include reactive intermediates and new thermochemical data, high-resolution comparisons of experiment and theory using methods based on pulsed-field ionisation (PFI), and the application of photoelectron spectroscopy as an analytical tool to monitor chemical reactions in complex environments, like model flames, catalytic or high-temperature reactors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Spectral dependences of extrinsic optical absorption in sillenite crystals

The influence of laser irradiation at wavelengths of 532 and 655 nm and annealing in air at temperatures from 200 to 370 °C on optical absorption spectra of undoped bismuth silicon oxide and bismuth germanium oxide and aluminium-doped bismuth titanium oxide crystals has been studied experimentally. The experimental data have been interpreted in terms of a model for extrinsic absorption that takes into account not only the contribution of the photoexcitation of electrons from deep donor centres with a normal distribution of their concentration with respect to ionisation energy but also that of intracentre transitions. (laser applications and other topics in quantum electronics)

36 MATERIALS SCIENCE↗

On effective dose for radiotherapy based on doses to nontarget organs and tissues

Purpose: The National Council for Radiation Protection and Measurement (NCRP) published estimates for the collective population dose and the mean effective dose to the population of the United States from medical imaging procedures for 1980/1982 and for 2006. The earlier report ignored the effective dose from radiotherapy and the latter gave a cursory discussion of the topic but again did not include it in the population exposure for various reasons. This paper explains the methodology used to calculate the effective dose in due to radiotherapy procedures in the latter NCRP report and revises the values based on more detailed modeling. Methods: This study calculated the dose to nontarget organs from radiotherapy for reference populations using CT images and published peripheral dose data. Results: Using International Commission on Radiological Protection (ICRP) 60 weighting factors, the total effective dose to nontarget organs in radiotherapy patients is estimated as 298 ± 194 mSv per patient, while the U.S. population effective dose is 0.939 ± 0.610 mSv per person, with a collective dose of 283 000 ± 184 000 person Sv per year. Using ICRP 103 weighting factors, the effective dose is 281 ± 183 mSv per patient, 0.887 ± 0.577 mSv per person in the U.S., and 268 000 ± 174 000 person Sv per year. The uncertainty in the calculations is largely governed by variations in patient size, which was accounted for by considering a range of patient sizes and taking the average treatment site to nontarget organ distance. Conclusions: The methods used to estimate the effective doses from radiotherapy used in NCRP Report No. 160 have been explained and the values updated.

60 APPLIED LIFE SCIENCES↗

Extending The Realm of Optimization for Complex Systems: Uncertainty, Competition, And Dynamics

Research reported addressed these topics: the development of analytical and algorithmic tools for distributed computation of Nash equilibria; synchronization in mean-field oscillator games, with an emphasis on learning and efficiency analysis; questions that combine learning and computation; questions including stochastic and mean-field games; modeling and control in the context of power markets.

97 MATHEMATICS AND COMPUTING↗

Additional EIPC Study Analysis: Final Report

Between 2010 and 2012 the Eastern Interconnection Planning Collaborative (EIPC) conducted a major long-term resource and transmission study of the Eastern Interconnection (EI). With guidance from a Stakeholder Steering Committee (SSC) that included representatives from the Eastern Interconnection States Planning Council (EISPC) among others, the project was conducted in two phases. Phase 1 involved a long-term capacity expansion analysis that involved creation of eight major futures plus 72 sensitivities. Three scenarios were selected for more extensive transmission- focused evaluation in Phase 2. Five power flow analyses, nine production cost model runs (including six sensitivities), and three capital cost estimations were developed during this second phase. The results from Phase 1 and 2 provided a wealth of data that could be examined further to address energy-related questions. A list of 14 topics was developed for further analysis. This paper brings together the earlier interim reports of the first 13 topics plus one additional topic into a single final report.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Fission in R-processes Elements (FIRE) - Annual Report: Fiscal Year 2017

The goal of the FIRE topical collaboration in nuclear theory is to determine the astrophysical conditions of the rapid neutron capture process (r-process), which is responsible for the formation of heavy elements. This will be achieved by including in r-process simulations the most advanced models of fission (spontaneous, neutron-induced, beta-delayed) that have been developed at LLNL and LANL. The collaboration is composed of LLNL (lead) and LANL for work on nuclear data (ground-state properties, fission, beta-decay), BNL for nuclear data management, and the university of Notre Dame and North Carolina State University for r-process simulations. Under DOE/NNSA agreement, both universities receive funds from the DOE Office of Science, while national laboratories receive funds directly from NA221.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Probability of Loss of Assured Safety in Systems with Multiple Time-Dependent Failure Modes: Incorporation of Delayed Link Failure in the Presence of Aleatory Uncertainty.

Probability of loss of assured safety (PLOAS) is modeled for weak link (WL)/strong link (SL) systems in which one or more WLs or SLs could potentially degrade into a precursor condition to link failure that will be followed by an actual failure after some amount of elapsed time. The following topics are considered: (i) Definition of precursor occurrence time cumulative distribution functions (CDFs) for individual WLs and SLs, (ii) Formal representation of PLOAS with constant delay times, (iii) Approximation and illustration of PLOAS with constant delay times, (iv) Formal representation of PLOAS with aleatory uncertainty in delay times, (v) Approximation and illustration of PLOAS with aleatory uncertainty in delay times, (vi) Formal representation of PLOAS with delay times defined by functions of link properties at occurrence times for failure precursors, (vii) Approximation and illustration of PLOAS with delay times defined by functions of link properties at occurrence times for failure precursors, and (viii) Procedures for the verification of PLOAS calculations for the three indicated definitions of delayed link failure.

97 MATHEMATICS AND COMPUTING↗

Fission in R-processes Elements (FIRE) (DOE Annual Report: Fiscal Year 2019)

The goal of the FIRE topical collaboration in nuclear theory is to determine the astrophysical conditions of the rapid neutron capture process (r-process), which is responsible for the formation of heavy elements. This will be achieved by including in r-process simulations the most advanced models of fission (spontaneous, neutron-induced, β-delayed) that have been developed at LLNL and LANL. The collaboration is composed of LLNL (lead) and LANL for work on nuclear data (ground-state properties, fission, β-decay), BNL for nuclear data management, and the university of Notre Dame and North Carolina State University for r-process simulations. Under DOE/NNSA agreement, both universities receive funds from the DOE Office of Science, while national laboratories receive funds directly from NA221.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Fission In R-process Elements - FY19 Q4 Quarterly Report

The goal of the FIRE topical collaboration in nuclear theory is to determine the astrophysical conditions of the rapid neutron capture process (r-process), which is responsible for the formation of heavy elements. This will be achieved by including in r-process simulations the most advanced models of fission (spontaneous, neutron-induced, β-delayed) that have been developed at LLNL and LANL. The collaboration is composed of LLNL (lead) and LANL for fission work, BNL for nuclear data management, and the university of Notre Dame and North Carolina State University for r-process simulations. Under DOE/NNSA agreement, both universities receive funds from DOE Office of Science, while national laboratories receive funds directly from NA221.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Fission In R-process Elements (FY20 Q2 Quarterly Report)

The goal of the FIRE topical collaboration in nuclear theory is to determine the astrophysical conditions of the rapid neutron capture process (r-process), which is responsible for the formation of heavy elements. This will be achieved by including in r-process simulations the most advanced models of fission (spontaneous, neutron-induced, β-delayed) that have been developed at LLNL and LANL. The collaboration is composed of LLNL (lead) and LANL for fission work, BNL for nuclear data management, and the university of Notre Dame and North Carolina State University for r-process simulations. Under DOE/NNSA agreement, both universities receive funds from DOE Office of Science, while national laboratories receive funds directly from NA221.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Improving AHU Performance by Minimizing Approach Temperature, Reducing Air Maldistribution, and Efficiently Handling Sensible and Latent Loads (Phase 1 Interim Final Technical Report)

Residential air handling units (AHUs) have stayed the same in form and efficiency for the past 30+ years, with incremental improvements made to address safety, functionality, and energy-efficiency. The purpose of this research in Phase I, Topic 9a: Next Generation Residential Air Handlers, was to improve AHU performance by minimizing heat exchanger (HX) approach temperature, reducing air maldistribution, and developing alternative system configurations which more efficiently handle sensible and latent loads. In this research Optimized Thermal Systems (OTS) developed, modeled, and evaluated multiple alternative system concepts. A dual vapor compression system separate sensible and latent cooling (SSLC) concept was studied to inform work on alternative concepts and to show best-case performance benefit. System concepts included ejector enhanced vapor compression cycles, desiccant assisted dehumidification, dual evaporator SSLC, and alternative AHU HX configurations. A dual vapor compression system showed COP improvement of 20%, however, required additional components, increased unit size, and increased cost. Two types of ejector enhanced vapor compression cycles with dual evaporators improved system COP by 9 to 11%, and reduced AHU losses by as much as 18%, with design changes limited to the AHU, no unit physical size increase, and a moderate increase to system first cost. Desiccant assisted air-conditioning required increased air flow rate resulting in higher fan power and the desiccant wheel increased sensible heat load leading to increased compressor power and reduced system COP. Dual evaporator cycles were found to degrade performance due to increased expansion losses. Optimized single slab HX designs used in place of the traditional A-coil HX led to 44–49% reduction in aluminum, 47–60% less refrigerant charge, and improved HX velocity distribution.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Fission In R-process Elements - FY2020

The goal of the FIRE topical collaboration in nuclear theory is to determine the astrophysical conditions of the rapid neutron capture process (r-process), which is responsible for the formation of heavy elements. This will be achieved by including in r-process simulations the most advanced models of fission (spontaneous, neutron-induced, β-delayed) that have been developed at LLNL and LANL. The collaboration is composed of LLNL (lead) and LANL for work on nuclear data (ground-state properties, fission, β-decay), BNL for nuclear data management, and the university of Notre Dame and North Carolina State University for r-process simulations. Under DOE/NNSA agreement, both universities receive funds from the DOE Office of Science, while national laboratories receive funds directly from NA221.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Fission In R-process Elements (Q4 FY2020 Quarterly Report)

The goal of the FIRE topical collaboration in nuclear theory is to determine the astrophysical conditions of the rapid neutron capture process (r-process), which is responsible for the formation of heavy elements. This will be achieved by including in r-process simulations the most advanced models of fission (spontaneous, neutron-induced, β-delayed) that have been developed at LLNL and LANL. The collaboration is composed of LLNL (lead) and LANL for fission work, BNL for nuclear data management, and the university of Notre Dame and North Carolina State University for r-process simulations. Under DOE/NNSA agreement, both universities receive funds from DOE Office of Science, while national laboratories receive funds directly from NA221.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Fission In R-process Elements (Q1 FY2021)

The goal of the FIRE topical collaboration in nuclear theory is to determine the astrophysical conditions of the rapid neutron capture process (r-process), which is responsible for the formation of heavy elements. This will be achieved by including in r-process simulations the most advanced models of fission (spontaneous, neutron-induced, β-delayed) that have been developed at LLNL and LANL. The collaboration is composed of LLNL (lead) and LANL for fission work, BNL for nuclear data management, and the university of Notre Dame and North Carolina State University for r-process simulations. Under DOE/NNSA agreement, both universities receive funds from DOE Office of Science, while national laboratories receive funds directly from NA221

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

High Force Spring Clamp System

This is the Final Technical Report for the work by Hyperboloid LLC using SBIR Grant # DE-SC0019579. The work responded to US DOE SBIR Topics FY2019, Phase 1, Release 1, August 13 2018, Topic: 30. a. (2) SRF cavity joining techniques that create vacuum seals without resorting to the use of bolted flanges in order to minimize particulates. Hyperboloid LLC designed, developed and tested the High Force Spring Clamp System characterized in Patent US 9756715 that is aimed at solving this topic. The patent is held by Thomas Jefferson National Accelerator Facility. The flange bolts are substituted with exceptionally high force, binder-clip-like “C” Clamps. The clamps are opened and applied by hydraulic based tooling called “Clamp Openers” using particle minimization methods. Model 1 Clamp reached the goal of sealing the SRF industry standard hexagonal section, aluminum alloy gasket, leak-free on a research cavity as determined by a superfluid helium challenge, at 2 K for 2 assembly cycles. Descriptions include the ANSYS calculations that determine the size and shape of the clamp, the details of the Clamp Opener construction, particle counts from sealing flanges using both bolts and clamps. Model 2 Clamp, at half the size, needing a softer metallic gasket to be successful, is more readily adaptable to Cryomodule designs. It was tested, but a needs soft gasket development to be successful.

43 PARTICLE ACCELERATORS↗

Fission In R-Process Elements

The goal of the FIRE topical collaboration in nuclear theory is to determine the astrophysical conditions of the rapid neutron capture process (r-process), which is responsible for the formation of heavy elements. This will be achieved by including in r-process simulations the most advanced models of fission (spontaneous, neutron-induced, β-delayed) that have been developed at LLNL and LANL. The collaboration is composed of LLNL (lead) and LANL for fission work, BNL for nuclear data management, and the university of Notre Dame and North Carolina State University for r -process simulations. Under DOE/NNSA agreement, both universities receive funds from DOE Office of Science, while national laboratories receive funds directly from NA221.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Fission In R-Process Elements

The goal of the FIRE topical collaboration in nuclear theory is to determine the astrophysical conditions of the rapid neutron capture process (r-process), which is responsible for the formation of heavy elements. This will be achieved by including in r-process simulations the most advanced models of fission (spontaneous, neutron-induced, β-delayed) that have been developed at LLNL and LANL. The collaboration is composed of LLNL (lead) and LANL for fission work, BNL for nuclear data management, and the university of Notre Dame and North Carolina State University for r-process simulations. Under DOE/NNSA agreement, both universities receive funds from DOE Office of Science, while national laboratories receive funds directly from NA221.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Fission In R-Process Elements

The goal of the FIRE topical collaboration in nuclear theory was to determine the astrophysical conditions of the rapid neutron capture process (r-process), which is responsible for the formation of heavy elements. This was be achieved by including in r-process simulations the most advanced models of fission (spontaneous, neutron-induced, β-delayed) that have been developed at LLNL and LANL. The collaboration was composed of LLNL (lead) and LANL for fission work, BNL for nuclear data management, and the university of Notre Dame and North Carolina State University for r-process simulations. Under DOE/NNSA agreement, both universities received funds from DOE Office of Science, while national laboratories receive funds directly from NA221.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗