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DOE OSTI2020

Neptunium extraction by N,N-dialkylamides

Separation of neptunium by solvent extraction has been based on tributylphosphate (TBP) for decades, but TBP is not fully incinerable, which adds to the burden of long-lived radioactive waste. Alternatives to TBP for uranium and plutonium extraction, such as the N , N -diakylamides, previously have been explored in the hopes of transitioning to an extractant that is incinerable. Four N , N -diakylamides, N , N -dihexylhexanamide (DHHA), N , N -dihexyloctanamide (DHOA), N , N -di(2-ethylhexyl)butanamide (DEHBA), and N , N -di(2-ethylhexyl)-iso-butanamide (DEHiBA) were considered in this work for their potential to extract millimolar concentrations of Np(IV), Np(V), and Np(VI) from nitric acid solutions into organic solutions containing 1 M extractant in Exxsol D60. Furthermore, under these conditions the branching of the alkyl substituents affects the extractability of Np(VI) and Np(IV), causing three of the dialkylamides, DHHA, DHOA and DEHBA, to extract neptunium in the expected order Np(VI) > Np(IV) > > Np(V). In contrast, branched DEHiBA is so poor an extractant for Np(IV) that the extraction order becomes Np(VI) > > Np(V) > Np(IV) between 0.1 and 5.6 M HNO 3 due to partial oxidation of the Np(V) in nitric acid.

07 ISOTOPE AND RADIATION SOURCES↗

DOE OSTI2024

APT Flash Lamps for a New Laser at LLNL Memo

Each flashlamp is supported coaxially within a pyrex water-jacket tube by two identical connector assemblies, one at each end. These connector assemblies not only support the flashlamp mechanically, but also provide source and return pathways for flashlamp DI cooling water and for electrical current. At each end of the flashlamp, the (presumably) tungsten feed-through rod that supports the electrode is attached to a connector assembly through a Multilam fitting. O rings seated on the outside of each connector assembly form a water-tight seal between the connector assembly and the inside of the pyrex water-jacket tube. During operation, DI cooling water enters the tube located at the end of one of the connectors, flows over that connector’s Multilam fitting, flows through a ring of holes in the connector assembly and then flows into the 1-mm gap between the flashlamp and the pyrex water-jacket tube. After passing over the length of the flashlamp, the water flows through the connector assembly at the opposite end of the flashlamp and exits through that connector assembly’s end tube. Electrical pulses are delivered to the flashlamp through the tubes coming out of the connector assemblies.

42 ENGINEERING↗

DOE OSTI2024

An Integrated Framework for Risk Assessment of Safety-related Digital Instrumentation and Control Systems in Nuclear Power Plants: Methodology Advancement and Application

This report documents activities performed by Idaho National Laboratory (INL) during fiscal year (FY) 2024 for the U.S. Department of Energy (DOE) Light Water Reactor Sustainability (LWRS) Program, Risk Informed Systems Analysis (RISA) Pathway, Digital Instrumentation and Control (DI&C) Risk Assessment project. The goal of the RISA Pathway is to optimize safety margins and minimize uncertainties to achieve economic efficiencies while maintaining high levels of safety. This is accomplished by providing scientific basis to better represent safety margins and factors that contribute to cost and safety, and by developing new technologies that reduce operating costs. The research efforts for FY 2024 encompass methodology refinement and exploration. The efforts include: (1) The implementation of a natural language processing tool to expedite key aspects of the reliability analysis methods developed by INL; (2) advances to support intersystem CCF analysis by providing guidance for and identification of coupling mechanisms that may contribute to CCF; (3) the investigation of how generative artificial intelligence tools can aid in hazard analysis and diversity and defense in depth (i.e., D3) assessments; (4) Industry collaboration, allowing the demonstration of and INL's risk assessment tools to support risk assessment of DI&C systems at early and late stages of development; (4) a roadmap for the development of a software for each of INL's risk assessment tools; (5) The development of a theory and methodology manual for a risk quantification methodology; (6) the development of a reliability analysis for machine learning (ML)-integrated control systems.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

Influence of metal ion complexation on the radiolytic longevity of butyramide extractants under direct dissolution conditions

The direct dissolution of volox-treated used nuclear fuel (UNF) into an organic solution—comprised of diluent and specialized extractants—poses a promising alternative to the traditional liquid-liquid solvent extraction approach to reprocessing UNF. However, moving to direct dissolution removes the presence of a concentrated nitric acid aqueous phase, which has been shown to significantly influence the radiolytic longevity of extractants in liquid-liquid solvent extraction flowsheets. With this in mind, and given the limited knowledge of radiation effects under direct dissolution conditions, we present a time-resolved and dose accumulation study on the impact of direct dissolution conditions on the radiolytic longevity of two candidate butyramide extractants—N,N-di-(2-ethylhexyl) butyramide (DEHBA) and N,N-di-(2-ethylhexyl)isobutyramide (DEHiBA)—in pre-equilibrated n-dodecane solvent in the presence and absence of process relevant metal ions, uranium and rhenium. Rhenium, and by extension technetium, extraction had little impact (=10%) on the overall radiolytic stability of these ligands, despite observed increases in chemical kinetic reactivity (>2×) of the corresponding complexes with the n-dodecane radical cation. Uranium-loading on the other hand, significantly improved the lifetime of both ligands (>30%) under gamma irradiation, with a greater stabilization observed for DEHBA over DEHiBA. This draft manuscript has been prepared in fulfillment of NTRD-MRWFD-2024 M3FT-24IN030101115.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2025

Studies of Quark Transport and Hadronization in Nuclei

In this project, we conducted the first measurement of di‑hadron azimuthal correlations in deep inelastic scattering (DIS) off nuclei using the CLAS detector at Jefferson Lab. Using 5 GeV electron‑beam data collected on deuterium, carbon, iron, and lead targets, we extracted di‑pion correlation functions over a broad kinematic range. The results show a monotonic broadening of the correlation peak with increasing nuclear mass, along with pronounced dependencies on the pions’ kinematics. Separately, we implemented an algorithm based on the Kalman filter that achieved the first complete alignment of the CLAS12 central tracking system. In parallel, we developed simulations, algorithms, and performance studies that informed the conceptual designs of the forward hadronic calorimeter Insert and the Zero Degree Calorimeter, both of which are now included in the ePIC detector baseline for the forthcoming Electron Ion Collider.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

DIAS: A Data-Informed Active Subspace Regularization Framework for Inverse Problems

This paper presents a regularization framework that aims to improve the fidelity of Tikhonov inverse solutions. At the heart of the framework is the data-informed regularization idea that only data-uninformed parameters need to be regularized, while the data-informed parameters, on which data and forward model are integrated, should remain untouched. We propose to employ the active subspace method to determine the data-informativeness of a parameter. The resulting framework is thus called a data-informed (DI) active subspace (DIAS) regularization. Four proposed DIAS variants are rigorously analyzed, shown to be robust with the regularization parameter and capable of avoiding polluting solution features informed by the data. They are thus well suited for problems with small or reasonably small noise corruptions in the data. Furthermore, the DIAS approaches can effectively reuse any Tikhonov regularization codes/libraries. Though they are readily applicable for nonlinear inverse problems, we focus on linear problems in this paper in order to gain insights into the framework. Various numerical results for linear inverse problems are presented to verify theoretical findings and to demonstrate advantages of the DIAS framework over the Tikhonov, truncated SVD, and the TSVD-based DI approaches.

Nguyen, Hai↗

DOE OSTI2021

Design and Gas Separation Performance of Imidazolium Poly(ILs) Containing Multivalent Imidazolium Fillers and Crosslinking Agents

This work introduces a series of vinyl-imidazolium-based polyelectrolyte composites, which were structurally modified via impregnation with multivalent imidazolium-benzene ionic liquids (ILs) or crosslinked with novel cationic crosslinkers which possess internal imidazolium cations and vinylimidazolium cations at the periphery. A set of eight [C4vim][Tf2N]-based membranes were prepared via UV-initiated free radical polymerization, including four composites containing di-, tri-, tetra-, and hexa-imidazolium benzene ILs and four crosslinked derivatives which utilized tri- and tetra- vinylimidazolium benzene crosslinking agents. Structural and functional characterizations were performed, and pure gas permeation data were collected to better understand the effects of “free” ILs dispersed in the polymeric matrix versus integrated ionic crosslinks on the transport behaviors of these thin films. These imidazolium PIL:IL composites exhibited moderately high CO2 permeabilities (~20–40 Barrer), a 4–7× increase relative to corresponding neat PIL, with excellent selectivities against N2 or CH4. The addition of imidazolium-benzene fillers with increased imidazolium content were shown to correspondingly enhance CO2 solubility (di- < tri- < tetra- < hexa-), with the [C4vim][Tf2N]: [Hexa(Im+)Benz ][Tf2N] composite showing the highest CO2 permeability (PCO2 = 38.4 Barrer), while maintaining modest selectivities (αCO2/CH4 = 20.2, αCO2/N2 = 23.6). Additionally, these metrics were similarly improved with the integration of more ionic content bonded to the polymeric matrix; increased PCO2 with increased wt% of the tri- and tetra-vinylimidazolium benzene crosslinking agent was observed. This study demonstrates the intriguing interactions and effects of ionic additives or crosslinkers within a PIL matrix, revealing the potential for the tuning of the properties and transport behaviors of ionic polymers using ionic liquid-inspired small molecules.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Direct Ink-Write Printing of Ceramic Clay with an Embedded Wireless Temperature and Relative Humidity Sensor

This research presents a simple method to additively manufacture Cone 5 porcelain clay ceramics by using the direct ink-write (DIW) printing technique. DIW has allowed the application of extruding highly viscous ceramic materials with relatively high-quality and good mechanical properties, which additionally allows a freedom of design and the capability of manufacturing complex geometrical shapes. Clay particles were mixed with deionized (DI) water at different ratios, where the most suitable composition for 3D printing was observed at a 1:5 w/c ratio (16.2 wt.%. of DI water). Differential geometrical designs were printed to demonstrate the printing capabilities of the paste. In addition, a clay structure was fabricated with an embedded wireless temperature and relative humidity (RH) sensor during the 3D printing process. The embedded sensor read up to 65% RH and temperatures of up to 85 °F from a maximum distance of 141.7 m. The structural integrity of the selected 3D printed geometries was confirmed through the compressive strength of fired and non-fired clay samples, with strengths of 70 MPa and 90 MPa, respectively. This research demonstrates the feasibility of using the DIW printing of porcelain clay with embedded sensors, with fully functional temperature- and humidity-sensing capabilities.

42 ENGINEERING↗

DOE OSTI2026

The Binary Fraction of Stars in the Dwarf Galaxy Ursa Minor via Dark Energy Spectroscopic Instrument

We utilize multi-epoch line-of-sight velocity measurements from the Milky Way Survey of the Dark Energy Spectroscopic Instrument to estimate the binary fraction for member stars in the dwarf spheroidal galaxy Ursa Minor. Our dataset comprises 670 distinct member stars, with a total of more than 2,000 observations collected over approximately one year. We constrain the binary fraction for UMi to be $0.61^{+0.16}_{-0.20}$ and $0.69^{+0.19}_{-0.17}$, with the binary orbital parameter distributions based on solar neighborhood observation from Duquennoy & Mayor (1991) and Moe & Di Stefano (2017), respectively. Furthermore, by dividing our data into two subsamples at the median metallicity, we identify that the binary fraction for the metal-rich ([Fe/H]>-2.14) population is slightly higher than that of the metal-poor ([Fe/H]<-2.14) population. Based on the Moe & Di Stefano model, the best-constrained binary fractions for metal-rich and metal-poor populations in UMi are $0.86^{+0.14}_{-0.24}$ and $0.48^{+0.26}_{-0.19}$, respectively. After a thorough examination, we find that this offset cannot be attributed to sample selection effects. We also divide our data into two subsamples according to their projected radius to the center of UMi, and find that the more centrally concentrated population in a denser environment has a lower binary fraction of $0.33^{+0.30}_{-0.20}$, compared with $1.00^{+0.00}_{-0.32}$ for the subsample in more outskirts.

Qiu, Tian [Shanghai Jiao Tong Univ. (China); DESI ↗

DOE OSTI2022

Bulk Spray and Individual Plume Characterization of LPG and Iso-Octane Sprays at Engine-Like Conditions

This study presents experimental and numerical examination of directly injected (DI) propane and iso-octane, surrogates for liquified petroleum gas (LPG) and gasoline, respectively, at various engine like conditions with the overall objective to establish the baseline with regards to fuel delivery required for future high efficiency DI-LPG fueled heavy-duty engines. Sprays for both iso-octane and propane were characterized and the results from the optical diagnostic techniques including high-speed Schlieren and planar Mie scattering imaging were applied to differentiate the liquid-phase regions and the bulk spray phenomenon from single plume behaviors. The experimental results, coupled with high-fidelity internal nozzle-flow simulations were then used to define best practices in CFD Lagrangian spray models. Optical imaging revealed that unlike iso-octane, propane’s spray propagation was fed by its flash boiling, spray collapse, and high degree of vaporization, resulting in a direct proportionality of propane’s penetration length to temperature. These unique features of propane and its variation from iso-octane’s spray pattern, contributed to its classification as an unconventional spray. Appropriate corrections to the injection and breakup models were developed to reproduce the under-expanded jet dynamics and to mimic the flash boiling-driven spray development observed with propane sprays. The simulation results were found to be sensitive to cone and inclusion angles of the blob injector. The current work represents a first assessment of the capability of the commonly available models for engine-spray simulations and highlights the fact that, despite the reasonable agreement obtained in the fuel vapor morphology, the representation of the liquid phase lacks accuracy and requires further model development.

02 PETROLEUM↗

DOE OSTI2024

MSD CoP Webinar: AI and Extreme Events - Overcoming Data Challenges for Improved Characterization of Climate Extremes

Context: This webinar was hosted by the MultiSector Dynamics Community of Practice (MSD CoP; https://multisectordynamics.org). Abstract: Artificial Intelligence (AI) models require large volumes of data for training and testing. Data requirements present challenges for using AI to explore extreme events with limited observational data. This webinar will showcase two innovative methods developed by part of the European Climate Intelligence (CLINT) project to overcome data challenges and harness AI to improve our understanding of climate extremes. Dr. Ascenso will present his research on data augmentation methods to improve estimates of tropical cyclones using satellite data. His presentation will review established methods for data augmentation and explore opportunities and challenges for using generative AI to generate images of extreme, life-threatening tropical cyclones. Next, Dr. Plesiat will present his research on deep learning techniques to overcome limited observational data sets. His presentation will illustrate deep learning methods to develop AI reconstructions of four climate indices across Europe. Presenters : Dr. Guido Ascenso (post-doctoral researcher, Politecnico di Milano); Dr. Étienne Plésiat (German Climate Computing Centre - DKRZ) Moderator(s): Stefano Galelli (MSD CoP WG Co-Lead), David Gold (MSD CoP WG Co-Lead), Jillian Sturtevant (MSD CoP WG Communications Officer), Matteo Giuliani (Politecnico di Milano, MSD CoP WG Member, Moderator and Organizer) This webinar was held on: October 11, 2024 from 11AM - 1PM ET

AI↗

DOE OSTI2021

Price equation captures the role of drug interactions and collateral effects in the evolution of multidrug resistance

Bacterial adaptation to antibiotic combinations depends on the joint inhibitory effects of the two drugs (drug interaction [DI]) and how resistance to one drug impacts resistance to the other (collateral effects [CE]). Here we model these evolutionary dynamics on two-dimensional phenotype spaces that leverage scaling relations between the drug-response surfaces of drug-sensitive (ancestral) and drug-resistant (mutant) populations. We show that evolved resistance to the component drugs – and in turn, the adaptation of growth rate – is governed by a Price equation whose covariance terms encode geometric features of both the two-drug-response surface (DI) in ancestral cells and the correlations between resistance levels to those drugs (CE). Within this framework, mean evolutionary trajectories reduce to a type of weighted gradient dynamics, with the drug interaction dictating the shape of the underlying landscape and the collateral effects constraining the motion on those landscapes. We also demonstrate how constraints on available mutational pathways can be incorporated into the framework, adding a third key driver of evolution. Our results clarify the complex relationship between drug interactions and collateral effects in multidrug environments and illustrate how specific dosage combinations can shift the weighting of these two effects, leading to different and temporally explicit selective outcomes.

Gjini, Erida↗

DOE OSTI2022

Redox-controlled reorganization and flavin strain within the ribonucleotide reductase R2b–NrdI complex monitored by serial femtosecond crystallography

Redox reactions are central to biochemistry and are both controlled by and induce protein structural changes. Here, we describe structural rearrangements and crosstalk within the Bacillus cereus ribonucleotide reductase R2b–NrdI complex, a di-metal carboxylate-flavoprotein system, as part of the mechanism generating the essential catalytic free radical of the enzyme. Femtosecond crystallography at an X-ray free electron laser was utilized to obtain structures at room temperature in defined redox states without suffering photoreduction. Together with density functional theory calculations, we show that the flavin is under steric strain in the R2b–NrdI protein complex, likely tuning its redox properties to promote superoxide generation. Moreover, a binding site in close vicinity to the expected flavin O 2 interaction site is observed to be controlled by the redox state of the flavin and linked to the channel proposed to funnel the produced superoxide species from NrdI to the di-manganese site in protein R2b. These specific features are coupled to further structural changes around the R2b–NrdI interaction surface. The mechanistic implications for the control of reactive oxygen species and radical generation in protein R2b are discussed

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1972

GSFC orbit computations for ISAGEX operations

The objective of the program is to collect a set of homogeneous and well distributed precise laser and camera satellite observations for the purpose of dynamic and geometric geodesy. The data gathering portion of the experiment extended from December 15, 1970 to August 31, 1971 and consisted of seven three-week saturation tracking periods. The seven geodetic satellites tracked were BE-B, BE-C, GEOS-1, GEOS-2, DI-C, DI-D, and PEOLE. The techniques employed to generate acquisition data for the two lasers are described. Analyses of the quick-look Astrosoviet NAFA-25 camera data indicated that the accuracy of these data was on the order of a few minutes of arc. These data were useful in definitive orbit determination.

Agreen, R. W.↗

NASA NTRS1978

'Smart' from a NEEDS perspective

A description is presented of the characteristics which are considered essential for the NASA information system if it is to satisfy the sensor/user needs of the 1980's. The present data/information (DI) system is a complex arrangement of functions which has evolved to meet the increased demands placed upon it by the changing nature of the space program. Even though today's ground system is handling today's DI flow, it has certain limitations, and in some cases lacks consistency in organization and structure that would allow it to cope with the new requirements. A systematic analysis and overview of the total system is necessary for the planning of an efficient and effective information system for the 1980's. The NASA End-to-End Data System (NEEDS) program is an attempt to significantly increase the effectiveness and efficiency of the system that couples the user of the space data with the sensors.

Blanchard, D. L.↗

NASA NTRS1981

Variable N-type negative resistance in an injection-gated double-injection diode

Double-injection (DI) switching devices consist of p+ and n+ contacts (for hole and electron injection, respectively), separated by a near intrinsic semiconductor region containing deep traps. Under proper conditions, these devices exhibit S-type differential negative resistance (DNR) similar to silicon-controlled rectifiers. With the added influence of a p+ gate appropriately placed between the anode (p+) and cathode (n+), the current-voltage characteristic of the device has been manipulated for the first time to exhibit a variable N-type DNR. The anode current and the anode-to-cathode voltage levels at which this N-type DNR is observed can be varied by changing the gate-to-cathode bias. In essence, the classical S-type DI diode can be electronically transformed into an N-type diode. A first-order phenomenological model is proposed for the N-type DNR.

Kapoor, A. K.↗

NASA NTRS1983

Double-injection, deep-impurity switch development

The overall objective of this program is the development of device design and process techniques for the fabrication of a double-injection, deep-impurity (DI)(2) silicon switch that operates in the 1-10 kV range with conduction current of 10 and 1A, respectively. Other major specifications include a holding voltage of 0 to 5 volts at 1 A anode current, 10 microsecond switching time, and power dissipation of 50 W at 75 C. This report describes work that shows how the results obtained at the University of Cincinnati under NASA Grant NSG-3022 have been applied to larger area and higher voltage devices. The investigations include theoretical, analytical, and experimental studies of device design and processing. Methods to introduce deep levels, such as Au diffusion and electron irradiation, have been carried out to "pin down' the Fermi level and control device-switching characteristics. Different anode, cathode, and gate configurations are presented. Techniques to control the surface electric field of planar structures used for (DI)(2) switches are examined. Various sections of this report describe the device design, wafer-processing techniques, and various measurements which include ac and dc characteristics, 4-point probe, and spreading resistance.

Selim, F. A.↗

NASA NTRS1985

D-1 report: The first German spacelab mission

Introduction of a new popular magazine on the DI mission, the first West German Space mission. The DI project office publishes the magazine. The German sponsored astronauts are to study the gravitational effects of reduced gravity on the human generated processes of the environment. Other areas of concern are boundary surface and transport phenomena, physical chemisty and process engineering, metals and composite materials, and single crystals.

Source record↗