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DOE OSTI2024

Analyzing the effect of doping concentration in split-well resonant-phonon terahertz quantum cascade lasers

The effect of doping concentration on the temperature performance of the novel split-well resonant-phonon (SWRP) terahertz quantum-cascade laser (THz QCL) scheme supporting a clean 4-level system design was analyzed using non-equilibrium Green’s functions (NEGF) calculations. Experimental research showed that increasing the doping concentration in these designs led to better results compared to the split-well direct-phonon (SWDP) design, which has a larger overlap between its active laser states and the doping profile. However, further improvement in the temperature performance was expected, which led us to assume there was an increased gain and line broadening when increasing the doping concentration despite the reduced overlap between the doped region and the active laser states. Through simulations based on NEGF calculations we were able to study the contribution of the different scattering mechanisms on the performance of these devices. We concluded that the main mechanism affecting the lasers’ temperature performance is electron-electron (e-e) scattering, which largely contributes to gain and line broadening. Interestingly, this scattering mechanism is independent of the doping location, making efforts to reduce overlap between the doped region and the active laser states less effective. Optimization of the e-e scattering thus could be reached only by fine tuning of the doping density in the devices. By uncovering the subtle relationship between doping density and e-e scattering strength, our study not only provides a comprehensive understanding of the underlying physics but also offers a strategic pathway for overcoming current limitations. This work is significant not only for its implications on specific devices but also for its potential to drive advancements in the entire THz QCL field, demonstrating the crucial role of e-e scattering in limiting temperature performance and providing essential knowledge for pushing THz QCLs to new temperature heights.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Hamiltonian Truncation Effective Theory

Hamiltonian truncation is a non-perturbative numerical method for calculating observables of a quantum field theory. The starting point for this method is to truncate the interacting Hamiltonian to a finite-dimensional space of states spanned by the eigenvectors of the free Hamiltonian H_0 H 0 with eigenvalues below some energy cutoff E_\text{max} E max . In this work, we show how to treat Hamiltonian truncation systematically using effective field theory methodology. We define the finite-dimensional effective Hamiltonian by integrating out the states above E_\text{max} E max . The effective Hamiltonian can be computed by matching a transition amplitude to the full theory, and gives corrections order by order as an expansion in powers of 1/E_\text{max} 1 / E max . The effective Hamiltonian is non-local, with the non-locality controlled in an expansion in powers of H_0/E_\text{max} H 0 / E max . The effective Hamiltonian is also non-Hermitian, and we discuss whether this is a necessary feature or an artifact of our definition. We apply our formalism to 2D \lambda\phi^4 λ ϕ 4 theory, and compute the the leading 1/E_\text{max}^2 1 / E max 2 corrections to the effective Hamiltonian. We show that these corrections nontrivially satisfy the crucial property of separation of scales. Numerical diagonalization of the effective Hamiltonian gives residual errors of order 1/E_\text{max}^3 1 / E max 3 , as expected by our power counting. We also present the power counting for 3D \lambda \phi^4 λ ϕ 4 theory and perform calculations that demonstrate the separation of scales in this theory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

Inclusive and exclusive electron scattering data analysis from Jefferson Lab experiment E12-14-012

Since the first observations of neutrino oscillation, neutrino experiments have come a long way toward precise measurements of the neutrino oscillation parameters, but some obstacles still remain. The next generation of oscillation experiments, including the Deep Underground Neutrino Experiment (DUNE), will be using the Liquid Argon Time Projection Chambers (LArTPCs) with natural argon as the neutrino target material. A precise model of the neutrino cross section on argon does not exist, which is a source of significant uncertainty in such experiments. The E12-14-012 experiment at Jefferson Lab seeks to help remedy this via electron scattering measurements on argon and titanium targets. The experiment collected both inclusive (e,e') and exclusive (e,e'p) data at a wide range of kinematics with the intent to measure the electron-nucleus cross section and thus derive a spectral function for argon that can be used with neutrino experiments. The use of titanium in this experiment stems from the equivalent shell structure that its protons share with the neutrons in argon, which will be crucial in oscillation experiments but cannot be measured directly in electron scattering. This thesis collects several papers which present results from the E12-14-012 experiment. These results include the inclusive (e,e') cross sections for carbon, titanium, argon, and aluminum at a beam energy of 2.22 GeV and a scattering angle of 15.54 deg with uncertainty of less than 5%. Also included are the first results of the exclusive (e,e'p) cross section on argon and titanium.

Murphy, Matthew D.↗

DOE OSTI2021

Application of electron beam technology to decompose persistent emerging drinking water contaminants: poly- and perfluoroalkyl substances (PFAS) and 1,4-Dioxane

Poly- and perfluoroalkyl substances (PFAS) and 1,4-dioxane are persistent emerging contaminants that are currently under consideration for federal and state-specific regulations in drinking water. Both PFAS and 1,4-dioxane are highly resistant to degradation and are not effectively removed by conventional drinking water treatment systems. Results from the Unregulated Contaminant Monitoring Rule 3 survey showed that >540 sites across the nation are contaminated with both PFAS and 1,4-dioxane. Hence, there is a need to identify technologies that can effectively remove both these contaminants. Water treatment via electron beam (e-beam) has been proven effective at treating a wide range of contaminants, including perfluorooctane sulfonate (PFOS), perfluorooctanoate (PFOA), polychlorinated biphenyls, and trichloroethylene. While the e-beam process is often considered similar to advanced oxidation processes (AOPs), e-beam technology is unique in that it produces both highly oxidizing and reducing species at the same time. The specific objectives of this study were to: (i) determine the effectiveness of 9 MeV electrons provided by the Fermilab’s Accelerator Application Development and Demonstration (A2D2) tool to decompose PFAS and 1,4-dioxane; (ii) assess the formation of byproducts during water treatment; (iii) apply the optimized treatment to field groundwater samples contaminated with PFAS and 1,4-dioxane, and (iv) assess the energy demands for the treatment of these contaminants using e-beam. Results from this study showed that e-beam is effective in treating both 1,4-dioxane and PFAS. Complete degradation of 1,4-dioxane was observed at a dose of 5 kGy for an initial concentration of up to 1 ppm without the need for any sample modification. The electrical energy per order (EEo) for treatment of 1,4-dioxane ranged from 0.46 to 0.72 kWh/m 3 /order and was comparable and even lower, in some cases, than other AOP technologies. Alkaline conditions (pH 13) and low dissolved oxygen concentration (2 mg/L) highly favored the treatment of PFAS by e-beam. Greater than 90% removal of PFOA and PFOS from an initial concentration of 100 to 500 ppb was achieved at a dose of 250 kGy and 500 kGy, respectively, under optimized conditions. The degradation efficiency was not significantly changed when treating other PFAS of fluorinated carbon chain length of 5 to 7 individually at 250 kGy with a removal ranging from 85¬–99% for different compounds. Short chain PFAS (perfluorobutanoate: PFBA and perfluorobutane sulfonate: PFBS) did not degrade under the same conditions at 250 kGy, but 70 to 99% degradation was observed at a higher dose of 1000 kGy. Short chain PFAS (perfluorohexanoate: PFHxA (C5) and perfluoroheptanoate: PFHpA (C6)) were detected after treatment of PFOA, but not after PFOS treatment. Inability to close the mass balance through targeted analysis suggests the presence of other intermediates not detectable by available analytical methods. When treating PFAS mixture containing ten compounds at equimolar concentration of 0.05 µM each, preferential degradation of polyfluorinated compound (6:2 fluorotelomer sulfonate or 6:2 FTS) followed by C8 and C7 compounds was observed as a function of increasing e-beam dose. About 30% degradation of ΣPFAS was observed at 250 kGy and no further removal was observed up to a dose of 1000 kGy. C4 to C6 PFASs showed no degradation, while C3 PFAS (PFBS) showed an increase in concentration by 34% at 1000 kGy due to formation from the breakdown of other long chain PFAS. These results suggested that (a) the reaction kinetics is likely different for different PFAS based on chain length, functional group, and the degree of fluorination of the carbon chain, and (b) there may be intermediates generated from the degradation of 6:2 FTS and C7/C8 compounds that can potentially scavenge hydrated electrons needed for reaction with the untreated PFAS molecules. Treatment of three PFAS-contaminated groundwater samples from two US states showed similar trends as observed in the treatment of equimolar PFAS mixtures. Up to 71% removal of ΣPFAS was achieved in real groundwater samples at 750 kGy and data trend suggested that higher degradation is feasible if higher doses (>1MGy) are applied to treat field samples to overcome matrix effects and competing species. Calculated EEo for PFAS ranged from as low as ~48 to 1081 kWh/m 3 /order depending on the type of PFAS treated. These values are comparable and even lower, in some cases, than other destructive technologies employed for PFAS treatment such as ultrasound, plasma, and photochemical treatment. The results from this study indicate e-beam is a promising approach under favorable conditions and should be explored further as an end-of-train treatment option for PFAS destruction.

1,4-Dioxane↗

DOE OSTI2022

High Energy Systems for Transforming CO 2 to Valuable Products (Final Report)

The objective of this project is to develop the Direct E-Beam Synthesis (DEBS) process that uses high-energy electron beams (E-Beam) to break chemical bonds. This allows the production of valuable chemicals, such as acetic acid, methanol, and carbon monoxide, at relatively low severity (pressure near one atmosphere and temperatures <150°C) from near-pure CO 2 captured from a pulverized coal-fired power plant and methane, imported as natural gas. Creating such valuable products will offset the cost of carbon capture and storage. Through this project, we have designed, constructed, and operated an E-Beam reactor to examine the feasibility of performing dry reforming reaction without a catalyst using only DEBS. We have verified the production of syngas with 1:1 H2:CO ratio and calculated that the energy cost for conversion is about 5.2 eV/molecule of product for dry reforming reaction which is similar to the energy cost for conversion using conventional thermochemical conversion but under significantly milder conditions (room temperature and atmospheric pressure). We have performed a technoeconomic analysis (TEA) to estimate the total capital requirement and the cost of production for a 99.4 MMSCFD syngas production plant via non-catalytic Direct E-Beam Synthesis (DEBS) technology utilizing a high-energy electron beam (E-Beam) accelerator. No assumption is made for syngas utilization downstream, and the incoming reactants are pure CO 2 from carbon capture (assumed to be at zero cost) and natural gas. The Total As-Spent Cost (TASC) was calculated to be $\$242.5$ million, resulting in a levelized cost of syngas (LCOS) of $\$175.84$/tonne (metric) at a natural gas price of $\$6.24$/MMBTU1. The cost of syngas is primarily determined by the price of natural gas. If the cost of the CO 2 feedstock is assumed to be non-zero, then the price of the CO 2 feed also heavily influences the levelized cost of syngas. The potential impact on the cost of electricity from syngas revenue is significant. Following DOE NETL’s guidance, a lifecycle analysis (LCA) was conducted to compare the cradle-to-gate life cycle emissions of GTI Energy’s novel Direct E-Beam Synthesis (DEBS) process that produces syngas via the reaction of methane and carbon dioxide to the emissions of a state-of-the-art Steam Methane Reforming (SMR) process that also produces syngas via the reaction of methane and steam. The DEBS process results in less GHG emissions than SMR (with CO product as the basis of comparison). openLCA was used for the LCA and the results show that the total global warming potential (GWP) of DEBS is 0.981 kg CO 2 e per kg CO product, while the SMR process has a global warming potential of 2.573 kg CO 2 e per kg CO product. The ratio of the GWP of the proposed product system to the comparison product system is 0.381. This percent change is 61.9% lower GWP than SMR.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2024

Latest Three Flavor Neutrino Oscillation Results from the NOvA Experiment.

NOvA, is a two-detector, long-baseline neutrino oscillation experiment located at Fermilab, Batavia, IL, USA. It is designed primarily to constrain neutrino oscillation parameters such as the atmospheric mass squared splitting, $\Delta m^2_{32}$, the mixing angle, $\theta_{23}$, neutrino mass hierachy, and the CP-violating phase, $\delta_{CP}$, using $\nu_\mu \ (\bar{\nu}_\mu)$ disappearance and $\nu_e \ (\bar{\nu}_e)$ appearance data. NOvA receives a high purity instense beam of neutrinos and anti-neutrinos from Fermilab's Neutrinos at Main Injector (NuMI) beamline. The NOvA near detector (ND) observes un-oscillated $\nu_\mu \ (\bar{\nu}_\mu)$ and beam $\nu_e \ (\bar{\nu}_e)$ events, while the far detector (FD), which is situated 810 km away from the near detector, records un-oscillated $\nu_\mu \ (\bar{\nu}_\mu)$ and oscillated $\nu_e \ (\bar{\nu}_e)$ events. The best fit values of the oscillation parameters are extracted by performing a joint fit of the far detector predicted events to data from $\nu_\mu \to \nu_\mu$, $\bar{\nu}_\mu \to \bar{\nu}_\mu$, $\nu_\mu \to \nu_e$, and $\bar{\nu}_\mu \to \bar{\nu}_e$ oscillation channels. We present latest joint fit results from NOvA based on a neutrino-beam exposure of $27.24 \times 10^{20}$ POT and an anti-neutrino beam exposure of $12.55\times 10^{20}$ POT and improved simulations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Constructing Data-Driven Predictions at the Far Detector for NOvA's Neutrino Oscillation Analysis.

NOvA, is a two-detector, long-baseline neutrino oscillation experiment located at Fermilab, Batavia, IL, USA. It is designed primarily to constrain neutrino oscillation parameters using $\nu_\mu \ (\bar{\nu}_\mu)$ disappearance and $\nu_e \ (\bar{\nu}_e)$ appearance data. The Neutrinos at Main Injector (NuMI) beamline at Fermilab provides a high purity 900 KW intense beam of neutrinos and anti-neutrinos to NOvA. The NOvA Near Detector, located 100m underground and 1km away from the beam source, observes the un-oscillated $\nu_\mu \ (\bar{\nu}_\mu)$ and beam $\nu_e \ (\bar{\nu}_e)$ event spectrum. The Far Detector, located in Ash River, MN, USA, is 809 km from the ND and records the oscillated $\nu_e \ (\bar{\nu}_e)$ and the un-oscillated $\nu_\mu \ (\bar{\nu}_\mu)$ event spectrum. NOvA uses a data-driven technique called extrapolation to predict the expected number of $\nu_\mu \ (\bar{\nu}_\mu)$ and $\nu_e \ (\bar{\nu}_e)$ events at the Far Detector using the Near Detector data. The use of data from a functionally equivalent Near Detector provides a powerful constraint on the systematic uncertainties in NOvA neutrino oscillation analyses. As NOvA continues to add data statistics, a robust constraint on systematics becomes more crucial for neutrino oscillation analysis. The details of the NOvA neutrino oscillation analysis framework and how it constrains dominant systematic uncertainties using the Near Detector data will be discussed in this poster.

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

Ultra-High Efficiency and Stable All-Perovskite Tandem Solar Cells

In the project period, the research team has fabricated more than 6,000 single-junction wide-bandgap (wide-E g ) and low-bandgap (low-E g ) perovskite solar cells (PSCs) and more than 2,000 all-perovskite tandem solar cells (APTSCs). The best-performing wide-E g and low-E g PSCs and APTSCs showed PCEs greater than 19%, 23%, and 30%, respectively. The average PCEs for wide-E g and low-E g PSCs and APTSCs fabricated by the benchmark processes are (18.5 ± 0.4)%, (21.9 ± 0.8)%, and (26.8 ± 2.1)%, respectively. We have demonstrated APTSCs with T 80 lifetime of more than 1,000 h, which were measured by maximum power point tracking (MPPT) under one sun operation in the air. The team has also utilized various advanced characterization techniques to study the optical and electrical properties of wide-E g and low-E g perovskite materials and devices, developing a better understanding of the unique working principle and degradation mechanism of APTSCs. The team has met most GNG decision criteria except for the stability goal of APTSCs under 85 °C/85 RH accelerated lifetime test (ALT). The shortfall of the device ALT stability is mainly limited by the intrinsic instability of Sn-Pb perovskites under illumination at elevated temperatures. The team discussed with stakeholders in the PV academic and industry about these durability concerns and concluded that this is the major technical barrier preventing the market entry of APTSCs. Future fundamental study and R&D work are needed to advance this promising technology.

14 SOLAR ENERGY↗

DOE OSTI2020

Secular Resonances in Nonrestricted Hierarchical Triple Systems

In this paper, the averaged Hamiltonian of a nonrestricted hierarchical triple system truncated at the third order is investigated. First, each secular resonant term is studied. For the well-studied secular quadrupole theory, it is analytically reformulated in a different manner in our work. The resonance width is numerically determined and displayed on the √(1−e{sub 1}{sup 2})−√(1−e{sub 2}{sup 2}) plane (also denoted as the e-tilde {sub 1}− e-tilde {sub 2} plane). In terms of the octupole terms, we show that for a near-planar configuration of the system, considerable variations of both the eccentricities of the inner and outer orbits can be generated by a single resonant term. The resonance width for every secular resonant angle from the octupole terms is also numerically determined and displayed on the e-tilde {sub 1}− e-tilde {sub 2} plane. The results show that an orbit flip with a near-perpendicular initial mutual inclination is possible for each secular resonance. By displaying the resonance widths of different resonant terms on the same e-tilde {sub 1}− e-tilde {sub 2} plane, we intuitively show the overlap of different secular resonances. Then, the full averaged Hamiltonian with both quadrupole and octupole terms is investigated using the Poincaré surface of section, with a special focus on the orbit flip. For the cases we exploited, we find that the near-planar flip of the inner orbit can be either regular or chaotic while the outer orbit flip is generally chaotic.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Subgrid-scale horizontal and vertical variation of cloud water in stratocumulus clouds: a case study based on LES and comparisons with in situ observations

Abstract. Stratocumulus clouds in the marine boundary layer cover a large fraction of ocean surface and play an important role in the radiative energy balance of the Earth system. Simulating these clouds in Earth system models (ESMs) has proven to be extremely challenging, in part because cloud microphysical processes such as the autoconversion of cloud water into precipitation occur at scales much smaller than typical ESM grid sizes. An accurate autoconversion parameterization needs to account for not only the local microphysical process (e.g., the dependence on cloud water content qc and cloud droplet number concentration Nc) but also the subgrid-scale variability of the cloud properties that determine the process rate. Accounting for subgrid-scale variability is often achieved by the introduction of a so-called enhancement factor E. Previous studies of E for autoconversion have focused more on its dependence on cloud regime and ESM grid size, but they have largely overlooked the vertical dependence of E within the cloud. In this study, we use a large-eddy simulation (LES) model, initialized and constrained with in situ and surface-based measurements from a recent airborne field campaign, to characterize the vertical dependence of the horizontal variation of qc in stratocumulus clouds and the implications for E. Similar to our recent observational study (Zhang et al., 2021), we found that the inverse relative variance of qc, an index of horizontal homogeneity, generally increases from cloud base upward through the lower two-thirds of the cloud and then decreases in the uppermost one-third of the cloud. As a result, E decreases from cloud base upward and then increases towards the cloud top. We apply a decomposition analysis to the LES cloud water field to understand the relative roles of the mean and variances of qc in determining the vertical dependence of E. Our analysis reveals that the vertical dependence of the horizontal qc variability and enhancement factor E is a combined result of condensational growth throughout the lower portion of the cloud and entrainment mixing at cloud top. The findings of this study indicate that a vertically dependent E should be used in ESM autoconversion parameterizations.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

The Electron Thermal Conductivity of Pu and Zr Substituted Gamma-Uranium

Uranium alloys are attractive recycled nuclear fuels because of their high thermal conductivity (k) and fissile density; however, the effects of alloying elements on k remain unclear. Here, the electron thermal conductivity (k_e) of U-Pu-Zr compositions are calculated using density functional theory. The electronic structure is evaluated to understand the effects of plutonium (Pu) and zirconium (Zr) substitution on the k_e of ?-U. Alloys of up to 37.5 at. % Pu and 37.5 at. % Zr are examined. Two methods are applied to calculate k_e; we find that the accuracy of each method depends on the electronic and mass similarities between the solute and solvent atoms. Specifically, when the solute atom is similar in electronic structure and mass, the method that applies the electron relaxation time of ?-U is best, while if the elements are dissimilar, a mixed method that mixes several parameters associated with k_e from each element in the alloy is best. The introduction of all alloying elements decreases k_e; however, in binary compounds, Pu and Zr have different effects. Pu generally flattens the electronic bands but compensates for this deleterious effect by increasing electron density near the Fermi level. Zr flattens the electronic bands more severely without adding electron density near the Fermi level. Therefore, Zr decreases the k_e more than Pu in binary compounds. In ternary compounds, the difference between Pu and Zr is minimal due to the phononic change from the large mass change of Zr substitution, even at 12.5 at. %. Thus, we predict that higher loadings of Pu, and potentially other actinides, can be added to U-Pu-Zr compositions for faster recycling of spent fuel with without sacrificing k. We also note that these k_e calculation methods can be applied to non-fuel alloys that require k_e predictions, such as cladding, heat exchanger, and structural materials.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Latest Three Flavor Neutrino Oscillation Results from the NOvA Experiment.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Measurement of the Neutron Magnetic Form Factor at Large Momentum Transfer Using the Super-Bigbite Apparatus in Jefferson Lab Hall-A

The nucleon elastic electromagnetic form factors help us study the electromagnetic structure of the nucleon, benchmark theoretical models, and improve our understanding of non-perturbative quantum chromodynamics and confinement. The Nobel Prize-winning electron-nucleon scattering experiments by Robert Hofstadter and collaborators in the 1950s at Stanford High Energy Physics Lab were the first nucleon form factor measurements performed using leptonic probes. The Super Bigbite Spectrometer (SBS) program at Hall-A of Jefferson Lab represents the latest efforts to measure nucleon form factors. This ambitious program aims to significantly extend the current data set in terms of square momentum transfer (Q2) with high precision. The advent of novel detector technologies, like Gas Electron Multipliers (GEM), which provide excellent position resolution (< 100 ?m) while withstanding high background particle rates (several hundred MHz/cm2) over a large active area, has paved the way for open-geometry, moderate solid angle spectrometers, which are central to all form factor experiments in the SBS program. The first experimental run group in SBS ran successfully between September 2021 and February 2022, collecting data for the measurement of the magnetic form factor of the neutron Gn M at five squared momentum-transfer values: 3.0, 4.5, 7.5, 9.8, and 13.5 (GeV /c)2. This extends the existing high-precision data for Gn M by about a factor of four. The ratio technique was used, which involved the simultaneous measurement of exclusive quasielastic scattering of D(e,e?n)p and D(e,e?p)n from a deuterium target. Pre-preliminary results for D(e,e?n)p and D(e,e?p)n quasi-elastic ratio, and the neutron magnetic form factor Gn M , for Q2 points 3.0, 9.8, and 13.5 (GeV /c)2 are presented.

Mudiyanselage, Anuruddha Rathnayake↗

DOE OSTI1991

Nuclear Safety [Vol. 32, No. 1, January-March 1991]

Nuclear Safety is a review journal that covers significant developments in the field of nuclear safety. Its scope includes the analysis and control of hazards associated with nuclear energy, operations involving fissionable materials, and the products of nuclear fission and their effects on the environment. Primary emphasis is on safety in reactor design, construction, and operation; however, the safety aspects of the entire fuel cycle, including fuel fabrication, spent-fuel processing, nuclear waste disposal, handling of radioisotopes, and environmental effects of these operations, are also treated. Table of Contents for this issue follows. GENERAL SAFETY CONSIDERATIONS: 1 The Safety Review and Approval Process for Space Nuclear Power Sources, G. L. Bennett; 19 Report on the American Nuclear Society International Topical Meeting: "The Safety, Status, and Future of Non-Commercial Reactors and Irradiation Facilities", E. G. Silver; 35 Book Review: Fission Product Transport Processes in Reactor Accidents, Proceedings to the International Centre tor Heat and Mass Processes T. S. Kress; 38 Fast Reactor Technology in the 1990s: A Summary of the 1990 International Fast Reactor Safety Meeting, A. E. Levin; ACCIDENT ANALYSIS: 56 Effects of Chemical Phenomena on LWR Severe Accident Fission Product Behavior, A. P. Malinauskas and T. S. Kress; CONTROL AND INSTRUMENTATION: 65 Technical Note: Safety Parameter Display Systems—10 Years Later, R. J. Eckenrode; 68 Potential Application of Neural Networks to the Operation of Nuclear Power Plants, R. E. Uhrig; DESIGN FEATURES: 80 Twenty-First DOE/NRC Nuclear Air-Cleaning Conference, R. R. Bellamy, D. W. Moeller, and M. W. First; 91 Impact of an Apparent Radiation Embrittlement Rate on the Life Expectancy of PWR Vessel Supports, R. D. Cheverton, G. C. Robinson, W. E. Pennell, and R. K. Nanstad; ENVIRONMENTAL EFFECTS: 103 Technical Note: The Impact of Offsite Factors on the Safety Performance of Small Nuclear Power Plants, Yu. D. Baranaev and A. N. Viktorov; WASTE AND SPENT FUEL MANAGEMENT: 109 Activities Related to Waste Management, Compiled by E. G. Silver; OPERATING EXPERIENCES: 118 Reactor Shutdown Experience, Compiled by J. W. Cletcher; 121 Selected Safety-Related Events, Compiled by G. A. Murphy; 123 Operating U.S. Power Reactors, Compiled by E. G. Silver; RECENT DEVELOPMENTS: 140 General Administrative Activities, Compiled by E. G. Silver; 150 Reports, Standards, and Safety Guides, D. S. Queener; 155 Status of Power-Reactor Licensing Activities, Compiled by E. G. Silver; 157 Proposed Rule Changes as of Sept. 30, 1990; ANNOUNCEMENTS: 79 MIT Offers Summer Program on Nuclear Power Reactor Safety; 108 Harvard School of Public Health Offers Several Short Courses; 139 Short Course and Workshop on Nuclear Criticality Safety at University of New Mexico; 160 SCK/CEN Announces Training Course on Emergency Planning and Response; 161 The Authors; 164 Indexes to Nuclear Safety, Volume 31

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Functional roles of the [2Fe-2S] clusters in Synechocystis PCC 6803 Hox [NiFe]-hydrogenase reactivity with ferredoxins

The HoxEFUYH complex of Synechocystis PCC 6803 (S. 6803) consists of a HoxEFU ferredoxin:NAD(P)H oxidoreductase subcomplex and a HoxYH [NiFe]-hydrogenase subcomplex that catalyzes reversible H2 oxidation. Prior studies have suggested that the presence of HoxE is required for reactivity with ferredoxin; however, it is unknown how HoxE is functionally integrated into the electron transfer network of the HoxEFU:ferredoxin complex. Deciphering electron transfer pathways is challenged by the rich iron-sulfur cluster content of HoxEFU, which includes a [2Fe-2S] cluster in each subunit, along with multiple [4Fe-4S] clusters and a flavin cofactor. To resolve the role of HoxE, we determined the biophysical and thermodynamic properties of each [2Fe-2S] cluster in HoxEFU using steady-state and potentiometric EPR analysis in combination with square wave voltammetry (SWV). The temperature-dependence of the EPR signal for HoxE confirmed the coordination of a single [2Fe-2S] cluster that was shown by SWV to have an E m = -424 mV (versus SHE). Strikingly, when the E m of the HoxE [2Fe-2S] cluster was analyzed in HoxEFU titrations, it was shifted by >100 mV to an E m < -525 mV (versus SHE). EPR titrations of HoxEFU gave an E m value for the [2Fe-2S] cluster of HoxF, E m = -419 mV and HoxU, E m = -349 mV. These values were used to re-analyze the diaphorase kinetics in reactions performed with ferredoxins with varying E m 's. The results are formulated into a model of HoxEFU:ferredoxin reactivity and the role of HoxE in mediating electron transfer within the HoxEFU:ferredoxin complex.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Effects of drifts on scrape-off layer transport in W7-X

Abstract Drifts affect particle, momentum, and energy transport in the scrape-off layer (SOL) of tokamaks and stellarators, altering plasma flows and creating asymmetries between divertors. To understand how drifts affect SOL transport in the W7-X island divertor, an experiment was performed to compare plasmas with matched core parameters but opposite magnetic field directions, and therefore opposite drift transport directions. Parallel flow measurements made with coherence imaging spectroscopy are interpreted with the aid of a diagnostic forward model and a 1D simple SOL model that includes the E × B drift. In low-density plasmas ( n ‾ e < 2 × 10 19 m −3 ), the poloidal E × B drift induces a large poloidal density asymmetry within the island SOL, as measured by divertor Langmuir probes. This in turn causes the parallel flow stagnation point to shift from the position halfway between targets to the X-point in the drift direction, leading to near-unidirectional flow throughout the SOL. As density increases, the effects of the poloidal E × B drift decrease substantially, resulting in a smaller density asymmetry and the development of a counter-streaming flow pattern. For the entire density range probed in this experiment ( n ‾ e = 1.5 − 6 × 10 19 m −3 ), the experimental observations are more consistent with the effects of the poloidal E × B drift than the radial E × B drift.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Extending the low-recycling, flat temperature profile regime in the lithium tokamak experiment-β (LTX-β) with ohmic and neutral beam heating

Abstract Recent experiments in the lithium tokamak experiment- β (LTX- β ) have extended the duration, performance, operating conditions, and diagnosis of the flat-temperature profile, low-recycling regime first observed in LTX. As expected, Li retains hydrogen and suppresses edge neutral cooling, allowing increased edge electron temperature, roughly equal to the core T e . Flat temperature profiles had been obtained transiently in LTX, as the plasma density decayed following the cessation of edge gas puffing. Careful control over the fueling in LTX- β has now been shown to sustain the flat T e profile and hot edge unique to the low-recycling regime for multiple confinement times in high performance discharges with decaying or steady density. With low density, the flat T e profile is also seen to extend into the scrape-off layer. Neutral beam heating is observed in target discharges with relatively flat electron temperature profiles ( T edge ∼ T core /2), though beam heating is stronger in discharges with higher fueling, higher density, and depressed edge T e . Beam heating produces additional peaking of the T e profile, without degradation of the energy confinement time. Neutral beam heating of target discharges with relatively flat electron temperature profiles similarly results in broad beam heated temperature profiles. Energy confinement in LTX- β generally compares favorably to ohmic and H-mode scalings, frequently exceeding them by factors of 2–4. New and improved diagnostics in LTX- β enable better characterization of this unique regime, including measurements of ion temperature and high field side Thomson scattering profiles. As an initial step toward characterizing turbulence with no T e gradient and roughly equal density and pressure gradient, core fluctuation spectra have been measured in peaked T e discharges using far-forward scattering and fluctuation reflectometry.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Coulomb excitation of the | T z | = 1 2 , A = 23 mirror pair

Background: Electric-quadrupole ( E 2 ) strengths relate to the underlying quadrupole deformation of a nucleus and present a challenge for many nuclear theories. Additionally, mirror nuclei in the vicinity of the line of N = Z represent a convenient laboratory for testing deficiencies in such models, making use of the isospin symmetry of the systems. Purpose: Uncertainties associated with literature E 2 strengths in Mg 23 are some of the largest in T z = | 1 2 | nuclei in the s d shell. The purpose of the present paper is to improve the precision with which these values are known, to enable better comparison with theoretical models. Methods: Coulomb-excitation measurements of Mg 23 and Na 23 were performed at the TRIUMF-ISAC facility using the TIGRESS spectrometer. They were used to determine the E 2 matrix elements of mixed E 2 / M 1 transitions. Results: Reduced E 2 transition strengths, B ( E 2 ) , were extracted for Mg 23 and Na 23 . Their precision was improved by factors of approximately 6 for both isotopes, while agreeing within uncertainties with previous measurements. Conclusions: A comparison was made with both shell-model and ab initio valence-space in-medium similarity renormalization group calculations. Valence-space in-medium similarity renormalization group calculations were found to underpredict the absolute E 2 strength, in agreement with previous studies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗