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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Mechanistic Multiscale Uncertainty Propagation in Support of Accelerated Fuel Qualification

Taking a nuclear fuel concept through the research, development, and qualification stages has historically taken on the order of 20 to 25 years because of extensive irradiation tests required for a variety of conditions. The concept of accelerated fuel qualification (AFQ) has been proposed to increase the innovation pace for nuclear fuels. The goal of AFQ is not to replace the traditional qualification approach but rather to reduce the total number of experiments required to ensure approval from the regulatory authority. Of the many AFQ approaches being explored, advanced modeling—and, in particular, mechanistic modeling—is in a uniquely cross-cutting position to reduce the number of required integral tests through the inclusion of separate-effects testing, while helping to extrapolate reactor performance during rare events. We make the case that propagation of uncertainty through various computational length scales helps contextualize mechanistic modeling. We will utilize UO 2 fission gas diffusion predictions from the atomistically informed cluster dynamics code Centipede to inform fuel performance rodlet simulations using the BISON finite element code as the metric for showing how multiscale mechanistic uncertainty quantification can help reduce uncertainty in fuel performance. In conclusion, by quantifying uncertainty and its reduction through multiscale modeling, the qualification process may be accelerated through the reduction of costly irradiation experiments.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Reactive Carbide‐Based Synthesis and Microstructure of NASICON Sodium Metal All Solid‐State Electrolyte

Reactive carbide precursor-based synthesis of NASICON-type NZSP (Na 1+x Zr 2 Si x P 3-x O 12 ) solid-state electrolyte (SSE) is demonstrated, in contrast to the established oxide-based approach. Exothermic decomposition of ZrC and SiC in air homogenizes microstructure, yielding 98% compact density after conventional sintering at 1200 °C. Quantitative stereology demonstrates that significant microstructural differences are present. Compacts of carbide-derived Carb-NZSP are 98% dense with a secondary zirconium oxide (ZrO 2 ) volume fraction of 0.2% ± 0.3%, versus 93% dense and 3% ± 1% for oxide-derived baseline. For Carb-NZSP, the secondary glassy phosphate phase is agglomerated, while for baseline, it is dispersed and percolated. Electrochemical testing combined with post-mortem analysis demonstrates how microstructural control of secondary phases is critical for dendrite suppression: Carb-NZSP critical current density (CCD) is 3.1 ± 0.8 mA cm −2 at 0.1 mAh cm −2 , versus 1.0 ± 0.7 mA cm −2 at 0.1 mAh cm −2 . Cryogenic focused ion beam (cryo-FIB) analysis demonstrates that in both materials, the porous 2D sheet-like sodium metal dendrites propagate around and subsume NZSP grains, likely following a path enriched with glassy phase and with porosity. Dendrites also flow around isolated zirconia particles. Phase field simulation reveals deflection of dendrites by mechanically tough zirconia, while brittle glassy phase accelerates dendrite growth, especially when finely distributed.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Development of Hot-Isostatic Pressing for Treatment of UK ILW Radioactive Wastes - 18280

Hot-Isostatic Pressing (HIPing) has been proposed as an improved method for the treatment of radioactive wastes in the UK. Sludges and slurries housed on the Sellafield site are a prime candidate for HIP treatment due to their large volumes and issues associated with the use of the baseline cementation strategy. Options have been developed by GeoRoc Ltd to co-process these wastes, including a detailed conceptual plant design. This paper will describe research and development aimed at demonstrating the viability of the concept presented in this design. This paper summarizes two studies performed to address the knowledge gaps identified for treatment of these wastes using HIP technology. The first study related to the poorly characterized nature of the wastes, which requires any treatment option to be flexible in terms of the chemical and physical properties of the waste feed. The second study involved demonstrating that HIPing can be effectively utilized at a scale applicable to treat a waste inventory estimated to be in excess of 5,000 m{sup 3}. The first section of this paper presents a summary of research carried out to determine where variation in the waste stream composition may affect the processing and wasteform produced when HIPing Magnox sludges. This study aimed to qualify where restrictions on the process envelope may exist due to poorly defined waste-stream characteristics. A baseline wasteform was selected with the aim of achieving significant waste volume reduction, while producing a physically and chemically stable wasteform. A glass-bonded magnesium-titanate/magnesium-silicate wasteform was selected as the preferred option for the Magnox sludge wastes. A series of studies investigated the densification and phase formation of waste-forms by altering key variables in the Magnox sludge simulant. To test the extremes of the processable waste loading, samples were produced and characterized at 100 wt% waste-loading for Magnox sludge, Site-Ion Exchange Plant (SIXEP) sand/clinoptilolite and a 50:50 mix of the two waste-streams. Further studies involved a) altering the waste loading to additive mass ratio (to simulate changes in the waste loading/sludge solids content), b) varying the particle size distribution from the datum to include only small or large particulates in the sludge feed; and c) introducing up to 20 wt% metallic Magnox alloy, organic species or carbonate materials (to determine how their inclusion may affect the processing and densification of the materials). A U{sub 3}O{sub 8} loaded sample was also produced using the baseline Magnox sludge formulation. All the tests performed were shown to produce monolithic, well densified waste-forms with substantial volume reductions. Minimal variations from the baseline were noted but the waste-forms produced with these deviations was determined to be of comparable quality to of the baseline product. U{sub 3}O{sub 8} was shown to behave in a similar fashion to the ZrO{sub 2} surrogate used to simulate it in the process envelope studies and was encapsulated in the magnesium titanate/magnesium silicate matrix. This work demonstrates that HIP technology can successfully produce waste-forms across the broad process envelope expected in the Magnox sludge inventory. It is also possible to produce monolithic waste-forms at 100 wt% waste loading from Magnox sludges, SIXEP sand clinoptilolite slurries or a co-processed mixture of the two. The second part of this paper summarizes a commercially relevant demonstration of HIP technology for the treatment of sludge and slurry wastes housed at the Sellafield site (UK). This study culminated in production of the largest HIPed wasteform successfully produced to date. This study was performed in a series of stages. Investigations into formulation and properties of waste-forms were performed at a lab scale to evaluate suitable wasteform systems and identify suitable combinations of additives and waste loadings. Scale up demonstrations were then performed in stages with custom-designed HIP canisters. Scale-up and characterization of key wasteform properties were successfully performed with initial canister volumes of 50 ml, 400 ml and 8 L. Suitable front-end unit operations to produce a granular, free-flowing calcined simulant were demonstrated at an engineering scale. The demonstration was successful in processing a HIP canister with an initial starting volume in excess of 100 L. A 75 % volume reduction from the raw sludge was achieved at scale while demonstrating that HIP is applicable at suitably large scale for immobilization of ILW waste. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Signatures of optimal codon usage in metabolic genes inform budding yeast ecology

Reverse ecology is the inference of ecological information from patterns of genomic variation. One rich, heretofore underutilized, source of ecologically relevant genomic information is codon optimality or adaptation. Bias toward codons that match the tRNA pool is robustly associated with high gene expression in diverse organisms, suggesting that codon optimization could be used in a reverse ecology framework to identify highly expressed, ecologically relevant genes. To test this hypothesis, we examined the relationship between optimal codon usage in the classic galactose metabolism ( GAL ) pathway and known ecological niches for 329 species of budding yeasts, a diverse subphylum of fungi. We find that optimal codon usage in the GAL pathway is positively correlated with quantitative growth on galactose, suggesting that GAL codon optimization reflects increased capacity to grow on galactose. Optimal codon usage in the GAL pathway is also positively correlated with human-associated ecological niches in yeasts of the CUG-Ser1 clade and with dairy-associated ecological niches in the family Saccharomycetaceae. For example, optimal codon usage of GAL genes is greater than 85% of all genes in the genome of the major human pathogen Candida albicans (CUG-Ser1 clade) and greater than 75% of genes in the genome of the dairy yeast Kluyveromyces lactis (family Saccharomycetaceae). We further find a correlation between optimization in the GAL actose pathway genes and several genes associated with nutrient sensing and metabolism. This work suggests that codon optimization harbors information about the metabolic ecology of microbial eukaryotes. This information may be particularly useful for studying fungal dark matter—species that have yet to be cultured in the lab or have only been identified by genomic material.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

The Aerogel Cerenkov detector for the SHMS magnetic spectrometer in Hall C at Jefferson Lab

Hadronic reactions producing strange quarks such as exclusive or semi-inclusive kaon production, play an important role in studies of hadron structure and the dynamics that bind the most basic elements of nuclear physics. The small-angle capability of the new Super High Momentum Spectrometer (SHMS) in Hall C, coupled with its high momentum reach - up to the anticipated 11-GeV beam energy in Hall C - and coincidence capability with the well-understood High Momentum Spectrometer, will allow for probes of such hadron structure involving strangeness down to the smallest distance scales to date. To cleanly select the kaons, a threshold aerogel Cerenkov detector has been constructed for the SHMS. The detector consists of an aerogel tray followed by a diffusion box. Four trays for aerogel of nominal refractive indices of n =1.030, 1.020, 1.015 and 1.011 were constructed. The tray combination will allow for identification of kaons from 1 GeV/c up to 7.2 GeV/c, reaching 10 -2 proton and 10 -3 pion rejection, with kaon detection efficiency better than 95%. The diffusion box of the detector is equipped with 14 five-inch diameter photomultiplier tubes. Its interior walls are covered with Gore diffusive reflector, which is superior to the commonly used Millipore paper and improved the detector performance by 35%. The inner surface of the two aerogel trays with higher refractive index is covered with Millipore paper, however, those two trays with lower aerogel refractive index are again covered with Gore diffusive reflector for higher performance. The measured mean number of photoelectrons in saturation is ~12 for n =1.030, ~8 for n =1.020, ~10 for n =1.015, and ~5.5 for n =1.011. Here the design details, the results of component characterization, and initial performance tests and optimization of the detector are presented.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

Molecular Genetic Analysis of Activation-tagged Transcription Factors Thought to be Involved in Photomorphogenesis

Plants utilize light as a source of information via families of photoreceptors such as the red/far-red absorbing phytochromes (PHY) and the blue/UVA absorbing cryptochromes (CRY). The main goal of the Neff lab is to use molecular-genetic mutant screens to elucidate signaling components downstream of these photoreceptors. Activation-tagging mutagenesis led to the identification of two putative transcription factors that may be involved in both photomorphogenesis and hormone signaling pathways. sob1-D (suppressor of phyB-dominant) mutant phenotypes are caused by the over-expression of a Dof transcription factor previously named OBP3. Our previous studies indicate that OBP3 is a negative regulator of light-mediated cotyledon expansion and may be involved in modulating responsiveness to the growth-regulating hormone auxin. The sob2-D mutant uncovers a role for LEP, a putative AP2/EREBP-like transcription factor, in seed germination, hypocotyl elongation and responsiveness to the hormone abscisic acid. Based on photobiological and genetic analysis of OBP3-knockdown and LEP-null mutations, we hypothesize that these transcription factors are involved in both light-mediated seedling development and hormone signaling. To examine the role that these genes play in photomorphogenesis we will: 1) Further explore the genetic role of OBP3 in cotyledon/leaf expansion and other photomorphogenic processes as well as examine potential physical interactions between OBP3 and CRY1 or other signaling components that genetically interact with this transcription factor 2) Test the hypothesis that OBP3 is genetically involved in auxin signaling and root development as well as examine the affects of this hormone and light on OBP3 protein accumulation. 3) Test the hypothesis that LEP is involved in seed germination, seedling photomorphogenesis and hormone signaling. Together these experiments will lead to a greater understanding of the complexity of interactions between photoreceptors and DNA-interacting proteins during photomorphogenesis. These studies also address the roles OBP3 and LEP may play as points of intersection between hormone signaling and photomorphogenesis. In the future, phenotypes caused by altered expression of these genes may generate useful traits for improving crop yield.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Improved scaling laws for the shock-induced dispersal of a dense particle curtain

Here, experiments were performed within Sandia National Labs’ Multiphase Shock Tube to measure and quantify the shock-induced dispersal of a shock/dense particle curtain interaction. Following interaction with a planar travelling shock wave, schlieren imaging at 75 kHz was used to track the upstream and downstream edges of the curtain. Data were obtained for two particle diameter ranges ( $d_{p}=106{-}125$ , $300{-}355~\unicode[STIX]{x03BC}\text{m}$ ) across Mach numbers ranging from 1.24 to 2.02. Using these data, along with data compiled from the literature, the dispersion of a dense curtain was studied for multiple Mach numbers (1.2–2.6), particle sizes ( $100{-}1000~\unicode[STIX]{x03BC}\text{m}$ ) and volume fractions (9–32 %). Data were non-dimensionalized according to two different scaling methods found within the literature, with time scales defined based on either particle propagation time or pressure ratio across a reflected shock. The data refelct that spreading of the particle curtain is a function of the volume fraction, with the effectiveness of each time scale based on the proximity of a given curtain’s volume fraction to the dilute mixture regime. It is observed that volume fraction corrections applied to a traditional particle propagation time scale result in the best collapse of the data between the two time scales tested here. In addition, a constant-thickness regime has been identified, which has not been noted within previous literature.

42 ENGINEERING↗
DOE OSTI2026

Experimental Demonstration of a Two-Dimensional Nonlinear Integrable System in a Particle Accelerator

A two-dimensional nonlinear integrable system was experimentally demonstrated at the Fermilab Integrable Optics Test Accelerator. The system was implemented by inserting a special nonlinear magnet in a conventional accelerator lattice. We characterized the system by measuring lifetimes, transverse profiles and transverse oscillation frequencies of the 150-MeV electron beam as a function of the strength of the nonlinear insert. The measured shift of the working point and the amplitude-dependent detuning were consistent with theoretical predictions. We also observed the predicted bifurcation of the stable closed orbit. A striking consequence of the system's implementation was the possibility to operate the storage ring with integer tunes without lifetime degradation. This research opens up novel ways to design particle accelerators and to stabilize particle beams.

Wieland, John [Fermilab] (ORCID:0000000289718523)↗
DOE OSTI2024

Vacancy-Mediated Increases in Brine–Salt Surface Energies

Salt formations have been explored for the permanent isolation of spent nuclear fuel based on their high thermal conductivity, self-healing nature, and low hydraulic permeability to brine flow. Vacancy defect concentrations in salt complicate fracture mechanics not driven by dislocation dynamics and can influence the resulting surface structure. Classical molecular dynamic simulations were used to simulate tensile testing of salt crystals (halite) with vacancy defect concentrations of up to 0.5 defects/nm 3 . Increasing defect concentrations resulted in a decrease in ultimate tensile strength and fracture surface energies, driven by increased surface roughness rather than changes in the amount of surface area. Brine–salt surface energies of the fractured surfaces were 0.22 to 0.26 J/m 2 , significantly higher than values reported for atomically flat (100) surfaces at the same brine composition. This change in surface energy increased the brine–salt dihedral angle by ~27°. The dihedral angle threshold for percolation in salt is 60°, and a 27° increase due to rough fracture surfaces identifies a reduction in porosity percolation and a decrease in salt permeability. Therefore, bedded salt and salt domes may be even more stable than those previously predicted from dihedral angle calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Data Visualization Saliency v. 1.0

Evaluating the effectiveness of data visualizations is a challenging undertaking and often relies on one-off human subject studies that test a visualization in the context of one specific task. Researchers across the fields of data science, visualization, and human-computer interaction are calling for foundational tools and principles that could be applied to assessing the effectiveness of data visualizations in a more rapid and generalizable manner. The visual saliency model for data visualizations described here addresses this need for evaluation tools. Visual saliency models assess the visual features (e.g. color, contrast, edges) of an image to predict which areas of that image will draw a viewer’s attention. Providing predictions of where viewers will look in a visualization based on the saliency of the various regions and elements in that image could help designers to assess whether or not their design will draw the viewer’s attention as intended. The Data Visualization Saliency model, a saliency model for data visualizations, consists of two parts: a text saliency map and a modified version of the Itti, Koch and Niebur model [1]. The final saliency map is a linear combination of the two. The text saliency map is created from an algorithm that computes the likelihood of belonging to a text region for each pixel of an input visualization image. The modified Itti model transforms the original input image to a representation in CIE LAB color space, which provides an accurate representation of perceptual color opponency. For a given input data visualization image, the Data Visualization Saliency model computes and returns the visualization saliency map highlighting areas of the data visualization that will draw a viewer’s attention. It also returns the lower level saliency maps for text and the modified Itti model.

Haass, Michael↗
DOE OSTI2020

Enabling Efficiencies > 22.5% with Metal Oxide Passivating Contacts using Low-Cost Spatial Atomic Layer Deposition (Final Technical Report)

In this project, the University of Central Florida (UCF) worked to both increase module efficiency and reduce manufacturing cost by driving demonstrated lab-scale passivating contact technology using materials and processes compatible with high-volume manufacturing for crystalline silicon (c-Si) photovoltaic (PV) cells. Passivating contacts have garnered significant attention in recent years. They provide a means of suppressing contact recombination, a loss mechanism that limits the performance of industrially relevant cell architectures like Al back surface field (Al-BSF) cells and passivated emitter and rear cells (PERC). Most of the development of passivating contact technology has focused on the use of doped amorphous silicon or doped polysilicon contacts, but both suffer from parasitic optical absorption amongst other issues. Our team developed fully transparent hole-selective heterojunctions, deposited using atomic layer deposition (ALD), and showed how they could be incorporated into c-Si PV cells. The team conducted experiments to understand the process-structure-property relationship of hole-selective oxides, surface passivation oxide materials, and transparent conductive oxides deposited by ALD, and use that understanding to reduce contact recombination, contact resistivity, and parasitic optical absorption within c-Si PV cells. Before getting into the details of the report, we would like to note that COVID-19 has made it more challenging to conduct experimental research at UCF. UCF has a number of mandatory policies in place to ensure social distancing, testing, and contact tracing are all carried out in day-to-day operations. Despite these challenges, we worked diligently to make progress on this project in a manner that was as safe as possible. Over the course of the project, the UCF team and its collaborators have made the following discoveries and developments.

14 SOLAR ENERGY↗
DOE OSTI2025

Challenges in predicting protein-protein interactions of understudied viruses: Arenavirus-human interactions

Understanding protein-protein interactions (PPIs) between viruses and host organisms is crucial for uncovering infection mechanisms and identifying potential therapeutic targets. The ability to generalize PPI predictive models across understudied viruses presents a significant challenge. In this work, we use arenavirus-human PPIs to illustrate the difficulties associated with model generalization, which are compounded by a lack of both positive and negative data. We employ a Transfer Learning approach to investigate arenavirus-human PPIs by utilizing models trained on better-studied virus-human and human-human PPIs. Additionally, we curate and assess four types of negative sampling datasets to evaluate their impact on model performance. Despite the overall high accuracies (93–99 %) and AUPRC scores (0.8–0.9) appearing promising, further analysis indicates that these performance metrics can be misleading due to data leakage, data bias, and overfitting, especially concerning under-represented viral proteins. We reveal these gaps and assess the impact of data imbalance using standard k-fold cross-validation and Independent Blind Testing with a Balanced Dataset, resulting in a drop in accuracy below 50 %. We propose a viral protein-specific evaluation framework that categorizes viral proteins into majority and minority classes based on their representation in the dataset, enabling comparison of model performance across these groups using balanced accuracies. This framework offers a more robust evaluation of model generalizability, addressing biases inherent in standard evaluation techniques and paving the way for more reliable PPI prediction models for understudied viruses.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

A Data Analysis Center for Electromagnetic and Hadronic Interaction. Products of the DAC members

The Data Analysis Center (DAC) of the Center for Nuclear Studies (CNS) at the George Washington University (GW) has made significant progress in its program to enhance and expand the partial-wave (and multipole) analyses of fundamental two- and three-body reactions (such as pion-nucleon, photon-nucleon, and nucleon-nucleon scattering) by maintaining and augmenting the analysis codes and databases associated with these reactions. These efforts provide guidance to experimental groups at the international level, forming an important link between theory and experiment. A renaissance in light hadron spectroscopy is underway as a continuous stream of polarization data issues from existing precision electromagnetic facilities and the coming Jefferson Lab 12 GeV Upgrade. Our principal goals have been focused on supporting the national N* resonance physics program. We have also continued to study topics more generally related to the problems associated with partial-wave analysis. On the Experimental side of the CNS DAC. Its primary goal is the enhancement of the body of data necessary for our analyses of fundamental γ - N reactions. We perform experiments that study the dynamics responsible for the internal structure of the nucleon and its excitations. Our principal focus is on the N* programs at JLab and MAMI. At JLab we study spin-polarization observables using polarized photons, protons and neutrons and yielding charged final states. Similarly at MAMI we study neutral meson photoproduction off polarized protons and neutrons. We use the Crystal Ball and TAPS spectrometers (CBT) to detect photons and neutrons to measure the photoproduction of π0, η, 2π0, π0η, and K0 off the neutron. The CBT program complements our program at JLab, which studies reactions resulting in charged final states. We are also involved in a renewed effort to make neutral pion photoproduction measurements close to threshold at Mainz. In addition to the programs underway, we are contributing to the future by participation in preparations for the coming JLab 12 GeV Upgrade. GW students are involved in tests of the detectors proposed to be used with CLAS12, i.e., for the CentralTime-of-Flight Barrel (CTOF). WJB is heavily involved in the MUSE quest at PSI to solve the Proton Radius Puzzle.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

νBDX: a Coherent Elastic Neutrino Nucleus Scattering (CEνNS) experiment at Jefferson Lab

Particle physics is an ever-changing field seeking to explain phenomena that lie at the limits of our current knowledge. Among discovered and hypothesized interactions, Coherent Elastic Neutrino-Nucleus Scattering (CE?NS) stands out as a fascinating and elusive phenomenon, offering a unique window into the nature of neutrinos and their interactions with matter. CE?NS, a process predicted by the Standard Model, represents one of the subtle ways in which neutrinos can interact with atomic nuclei. Unlike other neutrinonucleus interactions, CE?NS occurs coherently, meaning that the entire nucleus collectively responds to the neutrino-mediated weak force, resulting in small energy transfers to the nucleus as a whole. The extremely rare nature of CE?NS events presents a formidable challenge to experimenters seeking to detect and study these interactions. Recent advances in detector technologies and the implementation of large-scale experiments, such as coherent neutrino scattering experiments at research facilities around the world, have opened up new avenues for exploring this elusive phenomenon. These experiments aim not only to observe CE?NS directly but also to extract valuable information on neutrino properties, nuclear structure, and potential deviations from the Standard Model. This thesis aims to study the feasibility of an experiment to study CE?NS at The Thomas Jefferson National Accelerator Facility, Newport News, VA, USA. This would be an experiment that exploits the production of neutrinos by an electron beam dumped on a thick target (the beam dump). The large quantity of neutrinos produced and their energy profile are well suited to the purpose of studying the CE?NS. In my thesis, I will start from previous studies on CE?NS and from theoretical considerations regarding the process, then quantify the expected events for a hypothetical experiment and possible backgrounds through simulations aimed at optimizing the geometry of the future detector. I will also show some tests on selected detector components that will be part of a first prototype.

Grazzi, Stefano↗
DOE OSTI2025

Kβ X-ray Emission Spectra Analysis Using Bayesian Optimization

The Kβ X-ray emission spectrum of 3 d transition metals is rich with electronic and structural information due to strong exchange interactions with the valence shell of the metal, and has become crucial for understanding their spin and oxidation states. The spectrum is commonly treated using crystal-field multiplet theory, a semi-empirical theory that uses tunable parameters to control the strength of the effects present in X-ray emission spectroscopy (XES). However, determining the experimental values of these parameters remains a challenge. We present a methodology that applies Bayesian optimization to crystal-field multiplet theory to determine parameter values. The algorithm is tested on the X-ray emission spectra of a collection of Mn, Co, and Ni oxides. We are able to find optimal values for the four most impactful parameters: Slater−Condon reduction factors F dd , F pd , and G pd , and crystal field splitting 10 Dq . The algorithm produces significantly improved accuracy compared to current analysis methods, and probes interparameter dependencies by modeling the error landscape. This advancement enhances XES analysis by offering an approach of obtaining quantitative electronic structural information on 3 d transition metal valence shells, facilitating applications across various scientific fields.

Bayesian optimization↗
DOE OSTI2021

Evaluating the Feasibility of Measuring and Analyzing Strain Caused by Changes in Barometric Pressure in the Vadose Zone

Changes in barometric pressure propagate into the subsurface where they can affect water level measurements in wells and cause vertical strain. Previous strain sensors were developed to measure vertical strain, but they were limited to measurements at a single depth, making it difficult to evaluate strains from a migrating pressure wave. Technology known as Coherence-length-gated Microwave Photonics Interferometry (CMPI) uses optical fiber sensors to measure strain at multiple locations. It has the potential to detect strain caused by variations in barometric pressure at multiple depths in the subsurface. The goal of this study is to evaluate the feasibility of using this technology to record the changes in vertical strain in the vadose zone from small fluctuations in air pressure. Propagation of these air pressure fluctuations is affected by hydrogeological properties such as water content and permeability. A second goal of this study is to evaluate how these properties affect the air pressure distribution, strain, and gas-phase diffusivity with a long-term goal of using strain to monitor the vadose zone. The focus of this study is on a suite of laboratory experiments that used a sand-filled column with an open head space. The CMPI fiber was packaged and embedded along the axis of the column to measure the strain at multiple locations while air pressure transducers were installed through the wall of the column. Small periodic fluctuations in air pressure, similar to barometric pressure fluctuations, were created in the head space of the column using an audio driven speaker driven at 4 Hz using a sinusoidal signal created by a function generator. Then, the fluctuations propagated along the column where they were measured by the transducers and recorded as functions of time. Initial tests were conducted using dry sand, but then additional tests were conducted after injecting water into the column, which changed the hydrologic and mechanical properties. Another experiment was conducted after creating a thin barrier to air flow, which was designed to simulate a thin layer of saturated ground during rainfall. A final experiment was conducted by changing the grain size of the material to create a heterogeneity in the upper half of the column. The suite of six experiments was conducted to highlight effects of variations in water content and heterogeneities on air pressure and vertical strain. Numerical simulations were also created to evaluate the laboratory data and to provide a baseline analysis for the results. The numerical simulations used the governing equations to linear poroelasticity and two-phase flow with boundary conditions representing the experiments. The conceptual model for strain caused by barometric pressure recognizes that a fluctuating barometric pressure causes fluctuations in the air pore pressure that decrease in amplitude and lag in time with increase depth. The pressure distribution results in two different loads that cause strain: 1.) a mechanical load as the barometric pressure acts on the ground surface; and 2.) pressure loading in the pore space. The results show that the total vertical strain is a contribution of both of these loads, and this is the strain that was observed in the laboratory. The lab experiments show that both air pressure and strain vary as sinusoids that propagate with depth. The amplitude of the air pressure and strain decrease as a function of depth in all the conditions that were evaluate. For example, in the dry sand, the amplitude of the air pressure decreases from 25 Pa at the head space to 5 Pa at a depth of 70 cm, whereas the amplitude of the strain decreases from 0.15 to 0.06 µε over the same depth interval. In many cases the amplitudes decrease is approximately negative exponential functions of depth. When water was injected into the sand and the saturation increased, the amplitude of the air pressure increased in the partially saturated sand but decreased sharply to zero where the soil was saturated. The strain decreased with depth, but the transition from partially to fully saturated conditions had little effect on the strain profile, even though it had a major effect on the air pressure. This apparently is because strain is caused by variations in both water and air pressure. The fluctuating air pressure caused the water pressure to fluctuate, which caused strain throughout the column. Phase delay of the air pressure and the strain both increase as linear to bi-linear functions of depth. The phase delays indicate that pressure propagates at a velocity of 7 to 8 m/s in dry or partially saturated sand, but it drops by more than an order of magnitude in the vicinity of the capillary fringe. The phase delays indicate the strain propagates faster than the pressure. The data indicate that the strain propagates from 1.2 to more than 4x faster than the pressure. Switching from sand to silt in the column caused the velocity of the pressure to drop by roughly half for both pressures, but curiously, it had little effect on the velocity of the strain.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Development and Characterization of Densified Biomass-plastic Blend for Entrained Flow Gasification (Final Technical Report)

Supported by the U.S. DOE NETL Award DE-FE0032043, this project was a collaborative effort. Project participants included the University of Kentucky Institute for Decarbonization and Energy Advancement (UK IDEA), Biosystems and Agricultural Engineering department (UK BAE), and Wabash Valley Resources, LLC. The goal of this final technical project report is to comprehensively summarize the work conducted on project DE-FE0032043. In accordance with the Statement of Project Objectives (SOPO), the University of Kentucky (UK) (Project Prime Recipient) has developed and studied a biomass/plastic fuel with a hydrophobic surface area less than 10 m 2 /m 3 that is suitable for oxygen-blown entrained flow gasification with slurry feed. The project involved the utilization of an existing thermogravimetric analysis (TGA)-mass spectrometer (MS), 1.5” drop tube furnace, 1 ton per day (TPD) coal gasifier, and high-pressure extruder operated at UK. The pilot-scale production of blended material was done at the Polymers Technology Center in Charlotte, North Carolina. Parametric testing and solid fuel blend slurry performance validation was completed using the UK entrained flow gasifier with multiple opposed burners to narrow the major near-term technical gaps that impede gasification of biomass and carbonaceous mixed wastes such as plastics in order to achieve net-negative CO 2 emissions. Project results validated the UK approach to address the major technical challenges on the biomass/plastic pretreatment and gasification. Previously, this has been limited in application to fluidized-type or moving bed-type gasifiers due to the high-water uptake of porous biomass containing hydroxyl groups during the conventional slurry preparation, resulting in a highly viscous, un-pumpable slurry. The biomass pretreatment with plastic developed for this project demonstrates advantages in cost and flexibility, which include: 1) the development of a blended solid fuel slurry with 55-60 wt% solids and comparable heating value to 100% coal-based water slurry; 2) the collection of gasification kinetic data and identification of preliminary operating conditions by performing thermogravimetric analysis, gasification experiments by using a 1.5” drop tube furnace; and finally 3) the demonstrated gasification of the blended solid fuel in the UK entrained flow gasifier with a long-lasting stable solid fuel blend slurry, dataset detailing operating conditions, and characterization of slag phase formation and solidification. The lab-scale data and experience obtained during this project encourages the development of technologies and commercial approaches to enable a hydrogen-based energy economy while achieving net-negative CO 2 emissions through gasification of coal, biomass, and carbonaceous mixed wastes such as plastics.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2026

Electrode Erosion and Prefire Studies Towards Fusion Scale Pulsed Power

This study presents a comprehensive investigation of electrode erosion and discharge behavior in spark gap switches over long switching cycle lifetimes. Brass, copper–tungsten (CuW), and stainless steel electrodes are tested under controlled conditions to quantify material degradation, debris accumulation, and changes in breakdown voltage. High-resolution imaging and statistical analysis of spark channel locations and gap breakdown voltages reveal how surface evolution influences long-term performance and reliability. These results provide essential data for lifetime modeling and inform design strategies for pulsed power systems in emerging applications such as private sector fusion energy and large-scale facilities like Sandia’s Z Machine and proposed ZX upgrades, where high repetition reliability and predictable behavior are critical.

electrical breakdown↗