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DOE OSTI2023

Human Factors for Advanced Reactors

Existing light water reactors in the U.S. are primarily large baseload electricity generating facilities. The concept of operations for these plants remains largely unchanged since the advent of commercial nuclear power—the main control room serves as the hub of plant activities and is staffed with multiple licensed operators who work in tandem under the shift supervisor, and staff such as field workers support the control room remotely. While newer plants have brought the advent of digital human-machine interfaces to replace earlier analog and mechanical instrumentation and controls, much of the control process remains unchanged and manual. It is simply a newer version of legacy concepts. Advanced reactors potentially bring considerable changes to the size, fuel type, automation, and staffing of nuclear power plants, necessitating a fundamental shift not just from analog to digital, but further from human to automation, from onsite to remote, from control to monitoring, and from many to few operators. Despite this multitude of parallel evolutions in reactor designs, many of the vendors developing the next generation of reactors represent smaller research and development enterprises. It is therefore not feasible to address all aspects of plant design at the same time. In particular, the competing design aspects of new reactors present a significant challenge to the development of robust and human factored systems at the plant. As vendors develop new reactor designs, much of the early focus is naturally on the fuel and reactor system technology. Looming behind these early advances is the daunting prospect of first-of-a-kind control concepts that have not yet been developed or validated. A failure to address the human element of reactor design early will lead to missed opportunities. The quickest development process is the replication of existing concepts of operations at legacy plants, even when such systems were long ago surpassed by better human-machine technologies outside the nuclear industry. Conversely, attempting to undertake novel concepts of operations late in the design life cycle of a plant could result in protracted development efforts and delays in licensing and deployment. This does not have to happen, and it is imperative that human factors be considered now, early in the design of new reactors.

99 GENERAL AND MISCELLANEOUS↗

NASA NTRS1988

The interaction of supernova 1987A with dense circumstellar gas

The light travel time effects on the evolution of line fluxes, line profiles, and spatial structure of the emission from supernova 1987A are described. Current high spectral resolution observations suggest a lower limit to the age of the shell of 5000 yr and suggest a relatively low shell velocity. The narrow lines are predicted to shift to the red at a rate depending on the shell age. Observations of X-rays below 10 keV by the Ginga satellite are difficult to interpret in terms of circumstellar interaction because of the time variability.

Chevalier, R. A.↗

NASA NTRS1995

Design of an anti-Rician-fading modem for mobile satellite communication systems

To design a demodulator applicable to mobile satellite communication systems using differential phase shift keying modulation, we have developed key technologies including an anti-Rician-fading demodulation scheme, an initial acquisition scheme, automatic gain control (AGC), automatic frequency control (AFC), and bit timing recovery (BTR). Using these technologies, we have developed one-chip digital signal processor (DSP) modem for mobile terminal, which is compact, of light weight, and of low power consumption. Results of performance test show that the developed DSP modem achieves good performance in terms of bit error ratio in mobile satellite communication environment, i.e., Rician fading channel. It is also shown that the initial acquisition scheme acquires received signal rapidly even if the carrier-to-noise power ratio (CNR) of the received signal is considerably low.

Kojima, Toshiharu↗

NASA NTRS1998

A New Optical Aerosol Spectrometer

An optical particle spectrometer capable of measuring aerosol particle size distributions from 0.02 to 100 micrometers has been developed. This instrument combines several optical methods in one, in-situ configuration; it can provide continuous data collection to encompass the wide dynamic size ranges and concentrations found in studies of modeled planetary atmospheres as well as terrestrial air quality research. Currently, the system is incorporated into an eight liter capacity spherical pressure vessel that is appropriate both for flowthrough and for in-situ particle generation. The optical sizing methods include polarization ratio, The scattering, and forward scattering detectors, with illumination from a fiber-coupled, Argon-ion laser. As particle sizes increase above 0.1 micrometer, a customized electronics and software system automatically shifts from polarization to diffraction-based measurements as the angular scattering detectors attain acceptable signal-to-noise ratios. The number concentration detection limits are estimated to be in the part-per-trillion (ppT by volume) range, or roughly 1000 submicron particles per cubic centimeter. Results from static experiments using HFC134A (approved light scattering gas standard), flow-through experiments using sodium chloride (NaCl) and carbon particles, and dynamic 'Tholin' (photochemical produced particles from ultraviolet (UV)-irradiated acetylene and nitrogen) experiments have been obtained. The optical spectrometer data obtained with particles have compared well with particle sizes determined by electron microscopy. The 'Tholin' tests provided real-time size and concentration data as the particles grew from about 30 nanometers to about 0.8 micrometers, with concentrations ranging from ppT to ppB, by volume. Tests are still underway, to better define sizing accuracy and concentration limits, these results will be reported.

Fonda, Mark↗

NASA NTRS2000

A High Signal-To-Noise Ultraviolet Spectrum of NGC 7469: New Support for Reprocessing of Continuum Radiation

From 1996 June 10 to 1996 July 29, the International AGN Watch monitored the Seyfert 1 galaxy NGC 7469 using the International Ultraviolet Explorer, the Rossi X-Ray Timing Explorer, and a network of ground-based observatories. On 1996 June 18, in the midst of this intensive monitoring period, we obtained a high signal-to-noise snapshot of the UV spectrum from 1150 to 3300 A, using the Faint Object Spectrograph (FOS) on the Hubble Space Telescope. This spectrum allows us to disentangle the UV continuum more accurately from the broad wings of the emission lines, to identify clean continuum windows free of contaminating emission and absorption, and to deblend line complexes such as Ly(alpha) + N V, C IV + He II + O III], Si III] + C III], and Mg II + Fe II. Using the FOS spectrum as a template, we have fitted and extracted line and continuum fluxes from the IUE monitoring data. The cleaner continuum extractions c o n h the discovery of time delays between the different UV continuum bands by Wanders et al. Our new measurements show delays increasing with wavelength for continuum bands centered at 1485, 1740, and 1825 A, relative to 1315 A with delays of 0.09, 0.28, and 0.36 days, respectively. Like many other Seyfert I galaxies, the UV spectrum of NGC 7469 shows intrinsic, blue-shifted absorption in Ly(alpha), N V, and C IV. Soft X-ray absorption is also visible in archival ASCA X-ray spectra. The strength of the UV absorption, however, is not compatible with a single-zone model in which the same material absorbs both the UV and X-ray light. Similar to other Seyfert galaxies, such as NGC 3516, the UV-absorbing gas in NGC 7469 has a lower ionization parameter and column density than the X-ray-absorbing material. While the UV and X-ray absorption does not arise in the same material, the frequent occurrence of both associated UV absorption and X-ray warm absorbers in the same galaxies suggests that the gas supply for each has a common origin.

Kriss, Gerard A.↗

DOE OSTI2015

Improvement of carrier injection symmetry and quantum efficiency in InGaN light-emitting diodes with Mg delta-doped barriers

The effect of δ-doping of In{sub 0.06}Ga{sub 0.94}N barriers with Mg on the quantum efficiency of blue light-emitting-diodes (LEDs) with active regions composed of 6 (hex) 3-nm In{sub 0.15}Ga{sub 0.85}N is investigated. Compared to the reference sample, δ-doping of the first barrier on the n-side of the LED structure improves the peak external quantum efficiency (EQE) by 20%, owing to the increased hole concentration in the wells adjacent to the n-side, as confirmed by numerical simulations of carrier distributions across the active region. Doping the second barrier, in addition to the first one, did not further enhance the EQE, which likely indicates compensation of improved hole injection by degradation of the active region quality due to Mg doping. Both LEDs with Mg δ-doped barriers effectively suppress the drop of efficiency at high injection when compared to the reference sample, and the onset of EQE peak roll-off shifts from ∼80 A/cm{sup 2} in the reference LED to ∼120 A/cm{sup 2} in the LEDs with Mg δ-doped barriers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2015

Characterization of Red/Green Cyanobacteriochrome NpR6012g4 by Solution Nuclear Magnetic Resonance Spectroscopy: A Protonated Bilin Ring System in Both Photostates

Cyanobacteriochromes (CBCRs) are cyanobacterial photoreceptors distantly related to phytochromes. Both CBCRs and phytochromes use photoisomerization of a linear tetrapyrrole (bilin) chromophore to photoconvert between two states with distinct spectral and biochemical properties, the dark state and the photoproduct. The isolated CBCR domain NpR6012g4 from Nostoc punctiforme is a well-characterized member of the canonical red/green CBCR subfamily, photosensory domains that can function as sensors for light color or intensity to regulate phototactic responses of filamentous cyanobacteria. Such red/green CBCRs utilize conserved Phe residues to tune the photoproduct for green light absorption, but conflicting interpretations of the photoproduct chromophore structure have been proposed. In the hydration model, the proposed photoproduct state is extensively solvated, with a loosely bound, conformationally flexible chromophore. In the trapped-twist model, the photoproduct chromophore is sterically constrained by hydrophobic amino acids, including the known Phe residues. Here, we have characterized chromophore structure in NpR6012g4 using solution nuclear magnetic resonance spectroscopy and a series of labeled chromophores. Four NH resonances are assigned for both the red-absorbing dark state and the green-absorbing photoproduct. Moreover, observed 13 C chemical shifts are in good agreement with those obtained for protonated rather than deprotonated bilins in ab initio calculations. Our results demonstrate that NpR6012g4 has a protonated, cationic bilin π system in both photostates, consistent with a photoproduct structure in which the chromophore is not extensively hydrated.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Facile Fabrication of Self‐Assembly Functionalized Polythiophene Hole Transporting Layer for High Performance Perovskite Solar Cells

Abstract Crystallinity and crystal orientation have a predominant impact on a materials’ semiconducting properties, thus it is essential to manipulate the microstructure arrangements for desired semiconducting device performance. Here, ultra‐uniform hole‐transporting material (HTM) by self‐assembling COOH‐functionalized P3HT (P3HT‐COOH) is fabricated, on which near single crystal quality perovskite thin film can be grown. In particular, the self‐assembly approach facilitates the P3HT‐COOH molecules to form an ordered and homogeneous monolayer on top of the indium tin oxide (ITO) electrode facilitate the perovskite crystalline film growth with high quality and preferred orientations. After detailed spectroscopy and device characterizations, it is found that the carboxylic acid anchoring groups can down‐shift the work function and passivate the ITO surface, retarding the interface carrier recombination. As a result, the device made with the self‐assembled HTM show high open‐circuit voltage over 1.10 V and extend the lifetime over 4,300 h when storing at 30% relative humidity. Moreover, the cell works efficiently under much reduced light power, making it useful as power source under dim‐light conditions. The demonstration suggests a new facile way of fabricating monolayer HTM for high efficiency perovskite devices, as well as the interconnecting layer needed for tandem cell.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2014

Synthesis of single phase chalcopyrite CuIn{sub 1−x}Ga{sub x}Se{sub 2} (0 ≤ x ≤ 1) nanoparticles by one-pot method

Graphical abstract: - Highlights: • A facile and rapid one-pot synthesis method is presented. • The effects of various Ga contents are investigated. • Single phase chalcopyrite CuIn{sub 1−x}Ga{sub x}Se{sub 2} nanoparticles can be easily synthesized. • The phase formation sequence is from CuSe to CuGaSe{sub 2}, then to CuIn{sub 1−x}Ga{sub x}Se{sub 2}. • The possible reaction mechanism of CuIn{sub 1−x}Ga{sub x}Se{sub 2} nanoparticles is proposed. - Abstract: Single phase chalcopyrite and near stoichiometric CuIn{sub 1−x}Ga{sub x}Se{sub 2} (0 ≤ x ≤ 1) nanoparticles were successfully synthesized by using a facile and rapid one-pot method. The effects of various Ga contents on crystal phase, morphology, element composition and absorption spectrum of the as-synthesized CuIn{sub 1−x}Ga{sub x}Se{sub 2} nanoparticles were investigated in detail. The XRD and Raman patterns indicated that the as-synthesized nanoparticles had a single phase chalcopyrite structure, and the diffraction peaks shifted toward larger diffraction angles or higher frequencies with increasing Ga content. The FE-SEM images showed that the as-synthesized nanoparticles were polydispersed in both size and shape, and the nanoparticles with higher Ga content were more prone to aggregate. The Vis–IR absorption spectra showed strong absorption in the entire visible light region. The estimated band gap increased from 1.00 eV to 1.68 eV as Ga content increasing.

36 MATERIALS SCIENCE↗

DOE OSTI2022

CTF: A modernized, production-level, thermal hydraulic solver for the solution of industry-relevant challenge problems in pressurized water reactors

CTF is a thermal hydraulic (T/H) subchannel tool that has been extensively developed over the past ten years as part of the Consortium for Advanced Simulation of Light Water Reactors (CASL) program. The code was selected early in the CASL program for support of high-impact challenge problems that were found to be relevant to the nuclear industry and its currently operating fleet of pressurized water reactors (PWRs), including issues such as departure from nucleate boiling (DNB), crud-induced power shifts (CIPSs), and reactivity-insertion accidents (RIAs). By incorporating CTF into the multiphysics Virtual Environment for Reactor Application (VERA) core simulator software developed by CASL, CTF has become the primary means of providing fluid and fuel thermal feedback, as well as T/H figure-of-merits (FOMs) in large-scale reactor simulations. With the goal of solving industry challenge problems, CASL placed great emphasis on developing high-quality, high-performance, validated software tools that offer higher fidelity than what is currently possible with current industry methods. In support of this effort, CTF was developed from a research tool into an nuclear quality assurance (NQA-1)–compliant, production-level software tool that is capable of addressing the stated challenge problems and goals of CASL. This work presents a review of the major technological achievements that were realized in developing CTF over the past decade of the CASL program and presents an overview of the code solution approach and closure models.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2016

Chandra X-ray spectroscopy of focused wind in the Cygnus X-1 system: II. The non-dip spectrum in the low/hard state – modulations with orbital phase

Accretion onto the black hole in the system HDE 226868/Cygnus X-1 is powered by the strong line-driven stellar wind of the O-type donor star. We study the X-ray properties of the stellar wind in the hard state of Cyg X-1, as determined using data from the Chandra High Energy Transmission Gratings. Large density and temperature inhomogeneities are present in the wind, with a fraction of the wind consisting of clumps of matter with higher density and lower temperature embedded in a photoionized gas. Absorption dips observed in the light curve are believed to be caused by these clumps. This work concentrates on the non-dip spectra as a function of orbital phase. The spectra show lines of H-like and He-like ions of S, Si, Na, Mg, Al, and highly ionized Fe (Fe xvii–Fe xxiv). We measure velocity shifts, column densities, and thermal broadening of the line series. The excellent quality of these five observations allows us to investigate the orbital phase-dependence of these parameters. We show that the absorber is located close to the black hole. Doppler shifted lines point at a complex wind structure in this region, while emission lines seen in some observations are from a denser medium than the absorber. Here, the observed line profiles are phase-dependent. Their shapes vary from pure, symmetric absorption at the superior conjunction to P Cygni profiles at the inferior conjunction of the black hole.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2017

The structure of liquid UO 2-x in reducing gas atmospheres

High energy X-ray diffraction experiments performed on hypostoichiometric UO 2-x liquids in reducing gas mixtures of 95%Ar:5%CO and 95%Ar:5%H 2 are compared to that conducted in a pure Ar atmosphere [Skinner et al., Science 346, 984 (2014)]. The measurements are pertinent to severe accident scenarios at nuclear reactors, where core melts can encounter reducing conditions and further shed light on the oxide chemistry of the low valence states of uranium, particularly U(III), which become stable only at very high temperatures and low oxygen potentials. The radioactive samples were melted by floating small spheres of material using an aerodynamic levitator and heating with a laser beam. In the more reducing environments, a 1.7% shift to lower Q-values is observed in the position of the principal peak of the measured X-ray structure factors, compared to the more oxidizing Ar environment. This corresponds to an equivalent elongation in the U-U nearest neighbor distances and the U-U periodicity. The U-O peak (modal) bond-length, as measured from the real-space total correlation functions, is also observed to expand by 0.9–1.6% under reducing conditions, consistent with the presence of 15–27% U 3+ cations, assuming constant U-O coordination number. The slightly larger U-U elongation, as compared to the U-O elongation, is interpreted as a slight increase in U-O-U bond angles. Difficulties concerning the determination of the hypostoichiometry, x, are discussed, along with the future directions for related research.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2017

Control of cell interaction using quasi-monochromatic light with varying spatiotemporal coherence

By the example of plants, fungi and bacteria, we consider the possibility of controlling the interaction of cells, being in competitive, antagonistic, or parasitic relations. For this aim we used short-time irradiation (a few seconds or minutes) with the red (633 nm) quasi-monochromatic light having different spatiotemporal coherence. It is shown that the functional activity is mostly increased in the cells whose size does not exceed the coherence length and the correlation radius of the light field. Thus, in the case of cells essentially differing in size, it is possible to increase the activity of smaller cells, avoiding the stimulation of larger ones. For example, the radiation having relatively low coherence ( L {sub coh}, r {sub cor} ≤ 10 μm) facilitates mainly the damage of large-size plant cells by pathogen fungi, while the exposure to light with less statistical regularity ( L {sub coh} = 4 μm, r {sub cor} = 5 μm) inhibits the growth of the Fusarium microcera fungus, infected by the bacterium of the Pseudomonas species. The quasi-monochromatic radiation with sufficiently high spatiotemporal coherence stimulated all interacting species (bacteria, fungi, plants). In the considered biocenosis, the equilibrium was shifted towards the favour of organisms having the highest rate of cell division or the ones better using their adaptation potential. (paper)

60 APPLIED LIFE SCIENCES↗

DOE OSTI2022

Radiative properties of an artificial atom coupled to a Josephson-junction array

We study the radiative properties—the Lamb shift, Purcell decay rate, and spontaneous emission dynamics—of an artificial atom coupled to a long, multimode cavity formed by an array of Josephson junctions. Introducing a tunable coupling element between the atom and the array, we demonstrate that such a system can exhibit a crossover from a perturbative to a nonperturbative regime of light-matter interaction as one strengthens the coupling between the atom and the Josephson-junction array. As a consequence, the concept of spontaneous emission as the occupation of the local atomic site being governed by a single complex-valued exponent breaks down. This breakdown, we show, can be interpreted in terms of formation of hybrid atom-resonator modes with radiative losses that are nontrivially related to the effective coupling between individual modes. We develop a singular function expansion approach for the description of the open quantum system dynamics in such a multimode nonperturbative regime. This modal framework generalizes the normal-mode description of quantum fields in a finite volume, incorporating exact radiative losses and incident quantum noise at the delimiting surface. Our results are pertinent to recent experiments with Josephson atoms coupled to high-impedance Josephson-junction arrays.

42 ENGINEERING↗

DOE OSTI2019

Investigation of deep levels in CdZnTeSe crystal and their effect on the internal electric field of CdZnTeSe gamma-ray detector

A study of deep levels in CdZnTeSe radiationdetection materials is presented. The approach relies on electrical methods that combine time and temperature evolution of the electric field and electric current after switching on the bias voltage. Two optical methods were also applied to study the deep levels. The first method utilizes the temperature and temporal analysis of the electric-field evolution after switching off an additional light illuminating the sample at a wavelength of 940 nm. The second method involved measuring of the electric-field spectral dependence during near infrared illumination. The results are compared with those obtained with high-quality CdZnTe detector-grade material. We conclude that the introduction of Se into the lattice leads to a shift of the second ionization level of the Cd vacancy towards the conduction band, as predicted recently by first-principles calculations based on screened hybrid functionals.

36 MATERIALS SCIENCE↗

NASA NTRS1978

On the distribution of sodium in the vicinity of Io

The contribution of scattering in a telescope to measurements of the size of Io's sodium cloud and to the distribution of emission intensity in the cloud is investigated. The brightest regions, within 30 arcsec of Io near opposition and along the equatorial plane, are relatively undistorted, but regions further than 45 arcsec away and not close to the equatorial plane are very likely to consist mainly of scattered light. Portions of the cloud in the vicinity of the magnetic equator are also mostly scattered light when Io is near extreme magnetic latitude. The equatorial torus, however, extends up to 20 arcmin from Jupiter. The large size of the cloud is thus confirmed. High-resolution line profile shapes indicate that sodium streams from Io preferentially in the forward direction with velocities distributed up to 18 km/sec. The observed wavelength shifts of the peak intensities from Io's rest frame are compatible with a cloud streaming through a bound atmospheric component, but they could also be caused by a velocity distribution peaked at very low velocities.

Trafton, L.↗

NASA NTRS1984

A laboratory investigation of a physical mechanism for the extended infrared absorption ('red shift') in wheat

Laboratory spectral measurements, on the components of both greenhouse and field grown winter wheat, were performed to identify the component and its appropriate response which gave rise to the extended infrared absorption or 'red shift' reported by Collins. Results of this study indicated that inherent intraplant adaxial (upper) leaf reflectances were of sufficient variability to suggest that an admixture of mechanisms may have utility on identifying the booting and head emergence stages in the life cycle of wheat. The physical mechanism for the shift was found to be relatively independent of the inherent variability in leaf spectra, and to be dependent upon the difference in the mode of deposition of cuticle upon the abaxial (lower) surface relative to that of the adaxial (upper) surface, the position of the flag leaf, and thus the surface exposed to the incident light during heading and after emergence of the head.

Schutt, J. B.↗

DOE OSTI2020

Water-Stable 1D Hybrid Tin(II) Iodide Emits Broad Light with 36% Photoluminescence Quantum Efficiency

The optical and light emission properties of tin and lead halide perovskites are remarkable because of the robust room-temperature (RT) performance, broad wavelength tunability, high efficiency, and good quenching resistance to defects. These highly desirable attributes promise to transform current light-emitting devices, phosphors, and lasers. One disadvantage in most of these materials is the sensitivity to moisture. Here, we report a new air-stable one-dimensional (1D) hybrid lead-free halide material (DAO)Sn 2 I 6 (DAO, 1,8-octyldiammonium) that is resistant to water for more than 15 h. The material exhibits a sharp optical absorption edge at 2.70 eV and a strong broad orange light emission centered at 634 nm, with a full width at half-maximum (fwhm) of 142 nm (0.44 eV). The emission has a long photoluminescence (PL) lifetime of 582 ns, while the intensity is constant over a very broad temperature range (145–415 K) with a photoluminescence quantum yield (PLQY) of at least 20.3% at RT. Above 415 K the material undergoes a structural phase transition from monoclinic (C2/c) to orthorhombic (Ibam) accompanied by a red shift in the band gap and a quench in the photoluminescence emission. Density functional theory calculations support the trend in the optical properties and the 1D electronic nature of the structure, where the calculated carrier effective masses along the inorganic chain are significantly lower than those perpendicular to the chain. As a result, thin films of the compound readily fabricated from solutions exhibit the same optical properties, but with improved PLQY of 36%, for a 60 nm thick film, among the highest reported for lead-free low-dimensional 2D and 1D perovskites and metal halides.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗