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DOE OSTI2021

Lorentz invariance relation anomalies and intrinsic parton transverse momentum

We investigate the so-called Lorentz invariance relations from the standpoint of the proper definitions of partonic correlations functions resulting from factorization; that is in light the proper treatment of ultraviolet divergences. We show that there are corrections to the naive Lorentz invariance relations are nontrivial even in very simple renormalizable quantum field theories. We also discuss the implications for phenomenological applications.

Aslan, Fatma↗

DOE OSTI2023

Extraction, Separation, and Production of High Purity Rare Earth Elements and Critical Minerals from Coal-Based and Related Resources

The general objectives of this project are to develop concepts for rare earth metal and critical mineral production from coal-based and related (minerals associated with coal) resources and incorporate them into a Technical Research Plan with an associated overall flow sheet. The project team has extensive expertise in market evaluation, mineral separation, leaching, chemical separations, alternative metallothermic reaction technology, electrowinning, and electrorefining that was critical to the success of the proposed project. The project included critical industrial partners needed for project success. The project team has extensive expertise in market evaluation, mineral separation, leaching, chemical separations, alternative reduction technology, electrowinning, and electrorefining as well as appropriate pilot-scale facilities to enable this project. The project encompassed broader opportunities for developing domestic resources of REE/CM materials for a more resilient, diverse, and secure supply chain for REE/CM materials with built-in redundancies and appropriate resource stockpiles. The production of REE/CM materials will help to revitalize and rebuild world-class American manufacturing capacity and the related workforce through new jobs and infrastructure. Furthermore, due to the nature and location of the production sites, economic growth in diverse communities of color and economically distressed areas will be cultivated. Finally, this technology can be applied to reuse and remediate coal waste tailings for REE/CM production.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2024

Measurement of the thermal effects in the dispersion relation of the dust acoustic wave in the presence of a magnetic field

This award supported an experimental study of the properties of the dust acoustic wave, low-frequency, l ongitudinal wave mode that propagates through the dust component of a dusty plasma system and is self-excited by the free energy from the ion streaming p ast the dust, in the presence of a high magnetic fiel d. In particular, this project measured the thermal state of dusty plasma system by measuring the dispersi on relation of the dust acoustic wave while varying (1) the strength and direction of the magnetic field relative to the propagation direction of the wave and (2) the neutral gas pressure. By exploiting the unique ability of the MDPX facility to generate a dusty plasma in a high magnetic field environment, it is possible to create a preferential ion flow along the magnetic field lines as the ions become magnetized. In this way, the magnetic field strength can be used to control t he strength of the ion flow through the dust cloud an d provide insight into the contribution that one of the physical mechanisms, a two-stream ion-dust instability, thought to be responsible for high temperatures that have been previously observed might have. This work was completed over two, one-week long runs o n the Magnetized Dusty Plasma eXperiment (MDPX) in the Magnetized Plasma Research Laboratory at Auburn University and supported by work at Wittenberg University (development of an electrode system that would allow for the wave mode to propagate in th e direction of gravity as the orientation of the magnetic field is changed by rotating the magnets on the M DPX device, analysis of data acquired during the experimental campaigns, testing alternative strategies to form a dust cloud based on what was learned the first experimental campaign, etc.).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Clean Air as a Bonus for Achieving Energy-Related State Goals: A Review of Policies and Programs in 15 States

This report explores connections between six common areas for state action on energy-related issues — resilience, economic development, energy affordability, electrifying transportation, grid modernization, and using local resources — and reducing air emissions. Although clean air often is not a driver for such state actions, they nonetheless reduce a variety of emissions, including particulates, nitrogen oxides, sulfur dioxide, and greenhouse gases like carbon dioxide. The study spans 15 geographically diverse states: Arizona, Delaware, Florida, Georgia, Indiana, Iowa, Kentucky, Louisiana, Missouri, Ohio, Pennsylvania, South Carolina, Tennessee, Texas and Utah. While these states have not adopted mandatory climate goals, they conduct a wide range of energy-related activities that reduce greenhouse gas emissions and other air pollutants as a side benefit.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2025

Quantum Computing and Simulations for Energy-Related Applications

Quantum Information Science (QIS) is an emerging field that has the potential to cause revolutionary advances in many areas of science and engineering, and nations around the world are vying for dominance in the field. To support DOE urgent task to make sure the U.S. wins the quantum race, in Spring of 2019 NETL started to establish and maintain QIS competency by focusing on energy-related applications. After more than five years’ hard-working, NETL QUEST (quantum for energy systems & technologies) team has made great progress on quantum sensing and quantum computing for energy applications. Significant outcomes have been achieved. To report our research progress and to propose new research directions, in this presentation at the American Physical Society (APS) annual meeting, I'm highlighting the progress of QUEST team on quantum computing for energy-related applications.

quantum computing↗

DOE OSTI2026

Criteria for Retention of 3013 S1 Containers Based on Relative Risk and Expert Judgment

An evaluation was performed to assess the suitability of thirty-three 3013 containers proposed for retention. These containers have moisture levels greater than 0.08 wt.% – the S1 population. The remainder of the S1 population stored at SRS will be down blended and disposed of by the end of 2028. Based on field surveillance and shelf-life data available to date as well as informed technical judgment, no container is currently expected to fail in its 50-year storage period. However, corrosion risk varies across the S1 population. Relative risks were evaluated using predicted Consensus Scores and their 95% Upper Prediction Limits (UPLs). The predicted values are based on a statistical model of Consensus Score as a function of moisture, chloride, and whether the packaged material was electrorefining scrap packaged at Hanford. Consensus Score has been shown to be a useful indicator of corrosion potential, and the UPL captures uncertainty in the model predictions, providing a conservative indicator of corrosion potential. Using UPLs to determine relative risks, together with expert review, three containers were identified as not suitable for retention, and the remainder were determined to be suitable.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

Generalized Ginsparg-Wilson relations: Fermionic anomalies on the lattice

The Ginsparg-Wilson (GW) relation elegantly captures how the anomalous chiral symmetry of a Dirac fermion manifests on the lattice. In this talk, we discuss how the GW relation and its closed-form solution, the overlap operator, can be generalized to Majorana or Dirac fermions in any dimension for finite symmetry transformations (continuous or discrete). We find an exact symmetry which reproduces both perturbative and global anomalies on the lattice. These generalized GW fermions are boundary theories of various bulk symmetry-protected topological phases and thus provide an explicit lattice realization of the fermionic bulk-boundary correspondence central to recent proposals for chiral gauge theories on the lattice.

Singh, Hersh [Fermilab] (ORCID:0000000220026959)↗

DOE OSTI2026

Constraining the Stellar-to-Halo Mass Relation with Galaxy Clustering and Weak Lensing from DES Year 3 Data

We develop a framework to study the relation between the stellar mass of a galaxy and the total mass of its host dark matter halo using galaxy clustering and galaxy-galaxy lensing measurements. We model a wide range of scales, roughly from $\sim 100 \; {\rm kpc}$ to $\sim 100 \; {\rm Mpc}$, using a theoretical framework based on the Halo Occupation Distribution and data from Year 3 of the Dark Energy Survey (DES) dataset. The new advances of this work include: 1) the generation and validation of a new stellar mass-selected galaxy sample in the range of $\log M_\star/M_\odot \sim 9.6$ to $\sim 11.5$; 2) the joint-modeling framework of galaxy clustering and galaxy-galaxy lensing that is able to describe our stellar mass-selected sample deep into the 1-halo regime; and 3) stellar-to-halo mass relation (SHMR) constraints from this dataset. In general, our SHMR constraints agree well with existing literature with various weak lensing measurements. We constrain the free parameters in the SHMR functional form $\log M_\star (M_h) = \log(εM_1) + f\left[ \log\left( M_h / M_1 \right) \right] - f(0)$, with $f(x) \equiv -\log(10^{αx}+1) + δ[\log(1+\exp(x))]^γ/ [1+\exp(10^{-x})]$, to be $\log M_1 = 11.506^{+0.325}_{-0.404}$, $\log ε= -1.632^{+0.306}_{-0.181}$, $α= -1.638^{+0.108}_{-0.099}$, $γ= 0.596^{+0.251}_{-0.210}$ and $δ= 3.810^{+2.045}_{-1.811}$. The inferred average satellite fraction is within $\sim 5-35\%$ for our fiducial results and we do not see any clear trends with redshift or stellar mass. Furthermore, we find that the inferred average galaxy bias values follow the generally expected trends with stellar mass and redshift. Our study is the first SHMR in DES in this mass range, and we expect the stellar mass sample to be of general interest for other science cases.

Zacharegkas, G. [Argonne; Chicago U., KICP] (ORCID↗

DOE OSTI2023

Cinnamon essential oil vapor alleviates the reduction of aroma-related volatiles in cold-stored “Feicheng” peach using HS-GC-IMS

“Feicheng” peach is popular for its unique aroma, but its defect of being highly sensitive to chilling injury (CI) often leads to aroma loss and internal browning. Essential oils (EOs) are often used to enhance the antioxidant capacity of plants and fruits, as well as to trigger their defense against biotic/abiotic stresses. This study aimed to examine the effect of cinnamon essential oil (CEO) vapor treatment on the aroma quality of peach fruit during cold storage using HS-GC-IMS. The results showed that 50 μL/L CEO vapor reduced the severity of internal browning (IB) in peaches at the stage of 7 ~ 21 d during refrigeration (Significantly, the L * value was higher and the IB index was lower than that of control, p < 0.05). Meanwhile, the evident reduction or loss of aroma content caused by CI was restored to a higher level than the control ( p < 0.05). Furthermore, CEO treatment promoted the release of aroma-related volatiles as evidenced by more propyl acetate, and the dimer of amyl acetate, isoamyl acetate, butyl acetate detected than that on harvest day and no-treated group after 21 d of cold storage plus 2 d of shelf life. Genes of PpLOX1 , PpLOX2 , PpHPL1 and PpADH1 associated with aroma-related volatile biosynthesis revealed higher transcript abundance in peach fruits treated with CEO than the control ( p < 0.05). Overall, our study demonstrated that CEO in vapor phase may be beneficial to alleviate the quality deterioration in aroma and flesh color of “Feicheng” peaches caused by CI, which lays a theoretical reference for maintaining postharvest quality of peach fruits.

Wang, Dan↗

DOE OSTI2022

Enhanced Salt Tolerance of Torreya grandis Genders Is Related to Nitric Oxide Level and Antioxidant Capacity

Nitric oxide (NO), a bioactive molecule, is often involved in the regulation of physiological and biochemical processes in stressed plants. However, the effects of NO donors on dioecious plants remain unclear. Using a pot experiment, female and male Torreya grandis were used to study the role of sex and NO in salt stress tolerance. In the present study, female and male T. grandis seedlings pretreated with an NO donor (sodium nitroprusside, SNP) were exposed to salt stress, and then leaf relative water content (RWC), photosynthetic pigments, chlorophyll fluorescence parameters, NO and glutathione levels, oxidative damage, and antioxidant enzyme activities were investigated. Female T. grandis plants had better tolerance to salinity, as they were characterized by significantly higher RWC, pigment content, and photochemical activities of photosystem II (PSII) and fewer negative effects associated with higher nitrate reductase (NR) activity and NO content. Pretreatment with an NO donor further increased the endogenous NO content and NR activity of both female and male T. grandis plants compared with salt treatment. Moreover, pretreatment with an NO donor alleviated salt-induced oxidative damage of T. grandis , especially in male plants, as indicated by reduced lipid peroxidation, through an enhanced antioxidant system, including proline and glutathione accumulation, and increased antioxidant enzyme activities. However, the ameliorating effect of the NO donor was not effective in the presence of the NO scavenger (Nω-nitro-L-arginine methyl ester, L-name). In conclusion, enhanced salt tolerance in T. grandis plants is related to nitric oxide levels and the supply of NO donors is an interesting strategy for alleviating the negative effect of salt on T. grandis . Our data provide new evidence to contribute to the current understanding of NO-induced salt stress tolerance.

Liu, Yang↗

DOE OSTI2022

Analyzing Relationships Between Economic and Neighborhood-Related Social Determinants of Health and Intensive Care Unit Length of Stay for Critically Ill Children With Medical Complexity Presenting With Severe Sepsis

Objectives: Of the Social Determinants of Health (SDoH), we evaluated socioeconomic and neighborhood-related factors which may affect children with medical complexity (CMC) admitted to a Pediatric Intensive Care Unit (PICU) in Shelby County, Tennessee with severe sepsis and their association with PICU length of stay (LOS). We hypothesized that census tract-level socioeconomic and neighborhood factors were associated with prolonged PICU LOS in CMC admitted with severe sepsis in the underserved community. Methods: This single-center retrospective observational study included CMC living in Shelby County, Tennessee admitted to the ICU with severe sepsis over an 18-month period. Severe sepsis CMC patients were identified using an existing algorithm incorporated into the electronic medical record at a freestanding children's hospital. SDoH information was collected and analyzed using patient records and publicly available census-tract level data, with ICU length of stay as the primary outcome. Results: 83 encounters representing 73 patients were included in the analysis. The median PICU LOS was 9.04 days (IQR 3.99–20.35). The population was 53% male with a median age of 4.1 years (IQR 1.96–12.02). There were 57 Black/African American patients (68.7%) and 85.5% had public insurance. Based on census tract-level data, about half (49.4%) of the CMC severe sepsis population lived in census tracts classified as suffering from high social vulnerability. There were no statistically significant relationships between any socioeconomic and neighborhood level factors and PICU LOS. Conclusion: Pediatric CMC severe sepsis patients admitted to the PICU do not have prolonged lengths of ICU stay related to socioeconomic and neighborhood-level SDoH at our center. A larger sample with the use of individual-level screening would need to be evaluated for associations between social determinants of health and PICU outcomes of these patients.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2024

Statistical Relations among Solid Precipitation, Atmospheric Moisture and Cloud Parameters in the Arctic

Observations collected during cold-season precipitation periods at Utquagvik, Alaska and at the multidisciplinary drifting observatory for the study of Arctic climate (MOSAiC) are used to statistically analyze the relations among the atmospheric water cycle parameters including the columnar supercooled liquid and ice amounts (expressed as liquid-water and ice-water paths, i.e., LWP and IWP), the integrated water vapor (IWV) and the near-surface snowfall rate. Data come from radar and radiometer-based retrievals and from optical precipitation sensors. While the correlation between snowfall rate and LWP is rather weak, correlation coefficients between radar-derived snowfall rate and IWP are high (~0.8), which is explained, in part, by the generally low LWP/IWP ratios during significant precipitation. Correlation coefficients between snowfall rate and IWV are moderate (~0.45). Correlations are generally weaker if snowfall is estimated by optical sensors, which is, in part, due to blowing snow. Correlation coefficients between near-surface temperature and snowfall rates are low (r < 0.3). The results from the Alaska and MOSAiC sites are generally similar. These results are not very sensitive to the amount of time averaging (e.g., 15 min averaging versus daily averages). Observationally based relations among the water cycle parameters are informative about atmospheric moisture conversion processes and can be used for model evaluations.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Quantum and Classical Ergotropy from Relative Entropies

The quantum ergotropy quantifies the maximal amount of work that can be extracted from a quantum state without changing its entropy. Given that the ergotropy can be expressed as the difference of quantum and classical relative entropies of the quantum state with respect to the thermal state, we define the classical ergotropy, which quantifies how much work can be extracted from distributions that are inhomogeneous on the energy surfaces. A unified approach to treat both quantum as well as classical scenarios is provided by geometric quantum mechanics, for which we define the geometric relative entropy. The analysis is concluded with an application of the conceptual insight to conditional thermal states, and the correspondingly tightened maximum work theorem.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Optimizing Deep Learning Models for Climate-Related Natural Disaster Detection from UAV Images and Remote Sensing Data

This research study utilized artificial intelligence (AI) to detect natural disasters from aerial images. Flooding and desertification were two natural disasters taken into consideration. The Climate Change Dataset was created by compiling various open-access data sources. This dataset contains 6334 aerial images from UAV (unmanned aerial vehicles) images and satellite images. The Climate Change Dataset was then used to train Deep Learning (DL) models to identify natural disasters. Four different Machine Learning (ML) models were used: convolutional neural network (CNN), DenseNet201, VGG16, and ResNet50. These ML models were trained on our Climate Change Dataset so that their performance could be compared. DenseNet201 was chosen for optimization. All four ML models performed well. DenseNet201 and ResNet50 achieved the highest testing accuracies of 99.37% and 99.21%, respectively. This research project demonstrates the potential of AI to address environmental challenges, such as climate change-related natural disasters. This study’s approach is novel by creating a new dataset, optimizing an ML model, cross-validating, and presenting desertification as one of our natural disasters for DL detection. Three categories were used (Flooded, Desert, Neither). Our study relates to AI for Climate Change and Environmental Sustainability. Drone emergency response would be a practical application for our research project.

AI↗

DOE OSTI2021

Unnamed Pt(Cu 0.67 Sn 0.33 ) from the Bolshoy Khailyk River, Western Sayans, Russia, and a Review of Related Compounds and Solid Solutions

We describe a potentially new species of a platinum cupride–stannide mineral (PCSM) of composition Pt(Cu 0.67 Sn 0.33 ). It occurs in a placer deposit in the River Bolshoy Khailyk, southern Krasnoyarskiy kray, Russia. A synthetic equivalent of PCSM was obtained and characterized. The PCSM occurs as anhedral or subhedral grains up to 15 μm × 30 μm in association with various platinum-group minerals, Rh–Co-rich pentlandite and magnetite, all hosted by a placer grain of Cu–Au–Pt alloy. Synchrotron micro-Laue diffraction studies indicate that the PCSM mineral is tetragonal and belongs to the inferred space-group P4/mmm (#123). Its unit-cell parameters are a = 2.838 (3) Å, c = 3.650 (4) Å, and V = 29.40 (10) Å 3 , and Z = 1. The c:a ratio calculated from the unit-cell parameters is 1.286. These characteristics are in good agreement with those obtained for specimens of synthetic Pt(Cu 0.67 Sn 0.33 ). A review on related minerals and unnamed phases is provided to outline compositional variations and extents of solid solutions in the relevant systems PtNi–PtFe–PtCu, PdCu–PdHg–PdAu, PdHg–PtHg, and AuCu–PtCu. The PCSM-bearing mineralization appears to be related genetically with an ophiolitic source-rock of the Aktovrakskiy complex of the western Sayans. The unnamed phase likely crystallized from microvolumes of a highly fractionated melt rich in Cu and Sn.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Rare Earth Element (REE) and Critical Mineral Fractions of Central Appalachian Coal-Related Strata Determined by 7-Step Sequential Extraction

Rare earth elements (REEs) and critical minerals (CMs) are used in many modern industries, including the automotive sector, generation and storage, clean energy, and defense. The demand for REEs is increasing, and the REE supply chain is unpredictable. The US has driven to assess non-conventional sources of REE (such as coal underclay) to identify domestic resources to stabilize this uncertainty in supply. Knowledge of the minerology, distribution, and modes of occurrence of REEs is integral to the assessment of non-conventional sources. Additionally, extraction techniques can be optimized and targeted when REE distribution in different solid fractions from source material is understood. In this study, four bituminous coal-related samples associated with the Lower and Middle Kittanning coal seams in the Appalachian Basin (US) underwent a seven-step sequential extraction procedure, primarily targeting the water-soluble, exchangeable, acid soluble, mildly reducible, moderately reducible, strongly reducible, and oxidizable fractions. The REE and other elements of interest from each extraction step were analyzed, and the percentages of element extracted from raw solids were calculated. REEs extracted from the total seven steps were reported as the extractable fraction, whereas the fractions in the residual solids were reported as the non-extractable fraction. Less than 6% of REE were extracted from three samples. Twenty-one percent of REE was extracted from the fourth sample, mainly from the steps targeting oxidizable and exchangeable phases. Co-extraction of critical metals (Co, Ni, Cu, and Zn) occurred during the oxidizable, exchangeable, acid soluble, and water-soluble steps for the four samples. In the extracted fractions, the four samples all exhibited a middle and heavy REE enrichment relative to light REE. The mobility of major cation (e.g., Ca, Fe, and P) and REE is associated with exchangeable, oxidizable, and acid soluble fractions. Non-extractable REE is likely held in refractory apatitic phases, and/or primary REE-phosphates (e.g., monazite and xenotime).

58 GEOSCIENCES↗

DOE OSTI2023

Using Atmospheric Inverse Modelling of Methane Budgets with Copernicus Land Water and Wetness Data to Detect Land Use-Related Emissions

Climate change mitigation requires countries to report their annual greenhouse gas (GHG) emissions and sinks, including those from land use, land use change, and forestry (LULUCF). In Finland, the LULUCF sector plays a crucial role in achieving net-zero GHG emissions, as the sector is expected to be a net sink. However, accurate estimates of LULUCF-related GHG emissions, such as methane (CH 4 ), remain challenging. We estimated LULUCF-related CH 4 emissions in Finland in 2013–2020 by combining national land cover and remote-sensed surface wetness data with CH 4 emissions estimated by an inversion model. According to our inversion model, most of Finland’s CH 4 emissions were attributed to natural sources such as open pristine peatlands. However, our research indicated that forests with thin tree cover surrounding open peatlands may also be a significant source of CH 4 . Unlike open pristine peatlands and pristine peatlands with thin tree cover, surrounding transient forests are included in the Finnish GHG inventory if they meet the criteria used for forest land. The current Finnish national GHG inventory may therefore underestimate CH 4 emissions from forested organic soils surrounding open peatlands, although more precise methods and data are needed to verify this. Given the potential impact on net GHG emissions, CH 4 emissions from transitional forests on organic soils should be further investigated. Furthermore, the results demonstrate the potential of combining atmospheric inversion modelling of GHGs with diverse data sources and highlight the need for methods to more easily combine atmospheric inversions with national GHG inventories.

54 ENVIRONMENTAL SCIENCES↗

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↗