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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Grid connection barriers to renewable energy deployment in the United States

Bulk-power grid connection is an emerging bottleneck to the entry of wind, solar, and storage but has been understudied due to a lack of data. We create and analyze two novel interconnection datasets with more than 38,000 project-level observations that provide new information documenting interconnection challenges in the United States. Active grid connection requests are more than double the total installed capacity of the US power plant fleet (2,600 vs. 1,280 GW). The time required to secure a connection has increased by 70% over the last decade, and withdrawal rates remain high at 80%, suggesting a constrained transmission system that jeopardizes energy transition targets. Wide distributions of interconnection costs indicate the inherent uncertainty of the interconnection process. Interconnection requests that identify large transmission upgrades tend to withdraw from the process. These findings suggest the need for interconnection reforms, tighter links between long-term transmission planning and project-level interconnection processes, and more interconnection outcome transparency.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2025

SPT-3G D1: Constraints on inflationary gravitational waves with two years of SPT-3G data

Here, we present a measurement of the 𝐵-mode polarization power spectrum of the cosmic microwave background anisotropies at 32 ≤ ℓ < 502 for three bands centered at 95, 150, and 220 GHz using data from the SPT-3G receiver on the South Pole Telescope. This work uses SPT-3G observations from the 2019 and 2020 winter observing seasons of a ∼1500 deg 2 patch of sky that directly overlaps with fields observed with the BICEP/Keck family of telescopes and covers part of the proposed Simons Observatory and CMB-S4 deep fields. Employing new techniques for mitigating polarized atmospheric noise, the SPT-3G data demonstrates a white noise level of 9.3 (6.7) μ⁢K−arcmin at ℓ ∼500 for the 95 GHz (150 GHz) data, with a 1/ℓ noise knee at ℓ = 128 (182). We fit the observed six auto- and cross-frequency 𝐵-mode power spectra to a model including lensed Λ⁢CDM 𝐵-modes and a combination of Galactic and extragalactic foregrounds. This work characterizes foregrounds in the vicinity of the BICEP/Keck survey area, finding foreground power consistent with that reported by the BICEP/Keck collaboration within the same region and a factor of ∼3 higher power over the full SPT-3G survey area. Using SPT-3G data over the BICEP/Keck survey area, we place a 95% upper limit on the tensor-to-scalar ratio of 𝑟 <0.25 and find the statistical uncertainty on 𝑟 to be 𝜎⁡(𝑟) = 0.067.

Zebrowski, J. A. [University of Chicago; Universit↗
DOE OSTI2025

Advancing ocean monitoring and knowledge for societal benefit: the urgency to expand Argo to OneArgo by 2030

The ocean plays an essential role in regulating Earth’s climate, influencing weather conditions, providing sustenance for large populations, moderating anthropogenic climate change, encompassing massive biodiversity, and sustaining the global economy. Human activities are changing the oceans, stressing ocean health, threatening the critical services the ocean provides to society, with significant consequences for human well-being and safety, and economic prosperity. Effective and sustainable monitoring of the physical, biogeochemical state and ecosystem structure of the ocean, to enable climate adaptation, carbon management and sustainable marine resource management is urgently needed. The Argo program, a cornerstone of the Global Ocean Observing System (GOOS), has revolutionized ocean observation by providing real-time, freely accessible global temperature and salinity data of the upper 2,000m of the ocean (Core Argo) using cost-effective simple robotics. For the past 25 years, Argo data have underpinned many ocean, climate and weather forecasting services, playing a fundamental role in safeguarding goods and lives. Argo data have enabled clearer assessments of ocean warming, sea level change and underlying driving processes, as well as scientific breakthroughs while supporting public awareness and education. Building on Argo’s success, OneArgo aims to greatly expand Argo’s capabilities by 2030, expanding to full-ocean depth, collecting biogeochemical parameters, and observing the rapidly changing polar regions. Providing a synergistic subsurface and global extension to several key space-based Earth Observation missions and GOOS components, OneArgo will enable biogeochemical and ecosystem forecasting and new long-term climate predictions for which the deep ocean is a key component. Driving forward a revolution in our understanding of marine ecosystems and the poorly-measured polar and deep oceans, OneArgo will be instrumental to assess sea level change, ocean carbon fluxes, acidification and deoxygenation. Emerging OneArgo applications include new views of ocean mixing, ocean bathymetry and sediment transport, and ecosystem resilience assessment. Implementing OneArgo requires about $100 million annually, a significant increase compared to present Argo funding. OneArgo is a strategic and cost-effective investment which will provide decision-makers, in both government and industry, with the critical knowledge needed to navigate the present and future environmental challenges, and safeguard both the ocean and human wellbeing for generations to come.

ARGO↗
DOE OSTI2025

Constraints on Inflationary Gravitational Waves with Two Years of SPT-3G Data

We present a measurement of the $B$-mode polarization power spectrum of the cosmic microwave background anisotropies at 32 $\le$$\ell$$<$ 502 for three bands centered at 95, 150, and 220 GHz using data from the SPT-3G receiver on the South Pole Telescope. This work uses SPT-3G observations from the 2019 and 2020 winter observing seasons of a $\sim$1500 deg$^2$ patch of sky that directly overlaps with fields observed with the BICEP/Keck family of telescopes, and covers part of the proposed Simons Observatory and CMB-S4 deep fields. Employing new techniques for mitigating polarized atmospheric noise, the SPT-3G data demonstrates a white noise level of 9.3 (6.7) $\mu$K-arcmin at $\ell \sim 500$ for the 95 GHz (150 GHz) data, with a $1/\ell$ noise knee at $\ell$=128 (182). We fit the observed six auto- and cross-frequency $B$-mode power spectra to a model including lensed $\Lambda$CDM $B$-modes and a combination of Galactic and extragalactic foregrounds. This work characterizes foregrounds in the vicinity of the BICEP/Keck survey area, finding foreground power consistent with that reported by the BICEP/Keck collaboration within the same region, and a factor of $\sim$ 3 higher power over the full SPT-3G survey area. Using SPT-3G data over the BICEP/Keck survey area, we place a 95% upper limit on the tensor-to-scalar ratio of $r < 0.25$ and find the statistical uncertainty on $r$ to be $\sigma(r) = 0.067$.

Zebrowski, J. A. [Chicago U., KICP; Chicago U., As↗
DOE OSTI2025

Experimental test of model predictive control in a variable air volume system

Model predictive control (MPC) has been widely studied as a promising approach for improving energy efficiency and operational flexibility in buildings, yet its real-world performance for commercial variable air volume (VAV) systems remains insufficiently characterized. In particular, the impacts of model mismatch on control robustness, real-time computational burden, and device-level operation are rarely evaluated using long-term field data. Here, this study presents a comprehensive experimental evaluation of MPC applied to a full-scale VAV system in Oak Ridge National Laboratory’s Flexible Research Platform-2 building with constant cooling/heating temperature setpoints and no occupancy. The study offers three key advantages over existing work: (1) it uses a representative building in a full-scale experimental test, capturing realistic system dynamics and complexity; (2) it evaluates a relatively sophisticated MPC formulation using two different optimization solvers (Gurobi and PSO), fully accounting for computational complexity and methodological diversity; and (3) it systematically assesses potential negative impacts on various building devices, benchmark against a well-established baseline, ASHRAE Guideline 36 (G36). To isolate zone- and air-handling-unit–level supervisory control effects, the supply fan was operated with a fixed static pressure setpoint under all strategies, and the trim-and-response static pressure reset in G36 was not enabled. Results show that MPC maintained thermal comfort while improving energy efficiency. Abrupt solar radiation variations degraded performance. Computation times ranged from ∼1 s (Gurobi) to ∼ 70 s (PSO). Compared with G36, MPC achieves 33% energy savings and reduces median reheat coil output by approximately a factor of 5–10 for a representative cooling day under matched weather conditions. However, it increases the maximum discomfort deviation from 0.5 to 1°C and results in a 32% increase in staging frequency. In addition, PSO-based MPC introduced damper oscillations, also affecting actuator longevity.

ASHRAE guideline 36↗
DOE OSTI2025

Gene network centrality analysis identifies key regulators coordinating day-night metabolic transitions in Synechococcus elongatus PCC 7942 despite limited accuracy in predicting direct regulator-gene interactions

Synechococcus elongatus PCC 7942 is a model organism for studying circadian regulation and bioproduction, where precise temporal control of metabolism significantly impacts photosynthetic efficiency and CO 2 -to-bioproduct conversion. Despite extensive research on core clock components, our understanding of the broader regulatory network orchestrating genome-wide metabolic transitions remains incomplete. We address this gap by applying machine learning tools and network analysis to investigate the transcriptional architecture governing circadian-controlled gene expression. While our approach showed moderate accuracy in predicting individual transcription factor-gene interactions - a common challenge with real expression data - network-level topological analysis successfully revealed the organizational principles of circadian regulation. Our analysis identified distinct regulatory modules coordinating day-night metabolic transitions, with photosynthesis and carbon/nitrogen metabolism controlled by day-phase regulators, while nighttime modules orchestrate glycogen mobilization and redox metabolism. Through network centrality analysis, we identified potentially significant but previously understudied transcriptional regulators: HimA as a putative DNA architecture regulator, and TetR and SrrB as potential coordinators of nighttime metabolism, working alongside established global regulators RpaA and RpaB. This work demonstrates how network-level analysis can extract biologically meaningful insights despite limitations in predicting direct regulatory interactions. The regulatory principles uncovered here advance our understanding of how cyanobacteria coordinate complex metabolic transitions and may inform metabolic engineering strategies for enhanced photosynthetic bioproduction from CO 2 .

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Polaris-PARCS Sensitivity Study on LWR Fuel Cycles: Polaris Input Options

This study is the first of a multi-phase effort to assess the sensitivity of light-water reactor (LWR) core-level prediction biases to changes in lattice-level calculation parameters. Prediction bias is the measured-to-predicted difference in a core-level quantity of interest (QOI) which can be estimated by comparing the simulation results with the plant-measured data for key nuclear parameters. The LWR two-step neutronics codes employed herein are the SCALE–Polaris lattice physics code (v6.3.1) and the Purdue Advanced Reactor Core Simulator (PARCS) nodal diffusion simulator (v3.4.2), both funded and used for confirmatory analysis to support licensing by the US Nuclear Regulatory Commission (NRC). Polaris–PARCS is used to model Watts Bar Unit 1 cycles 1–3 and Peach Bottom Unit 2 cycles 1–3. This study focuses on the impact of changes to Polaris input options such as scattering treatment or quadrature settings and how these input options induce changes in core-level quantities of interest (QOIs)bias. The report documents multiple bias assessments for different modeling choices and compares the bias magnitude to the QOI measurement uncertainties. Future companion reports will investigate the sensitivity of core-level LWR prediction bias to Polaris input options and Polaris-computed QOIs such as few-group assembly-homogenized cross sections to gain an understanding of the key drivers of prediction bias at lattice and core levels for application of a two-step LWR neutronics procedure in a licensing scenario.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Direct neutrino-mass measurement based on 259 days of KATRIN data

That neutrinos carry a nonvanishing rest mass is evidence of physics beyond the Standard Model of elementary particles. Their absolute mass holds relevance in fields from particle physics to cosmology. We report on the search for the effective electron antineutrino mass with the KATRIN experiment. KATRIN performs precision spectroscopy of the tritium β-decay close to the kinematic endpoint. On the basis of the first five measurement campaigns, we derived a best-fit value of $m^{2}_{v} = -0.14^{+0.13}_{-0.15}$ eV 2 , resulting in an upper limit of m ν < 0.45 eV at 90% confidence level. Stemming from 36 million electrons collected in 259 measurement days, a substantial reduction of the background level, and improved systematic uncertainties, this result tightens KATRIN’s previous bound by a factor of almost two.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Scaling microstructural processes in the sintering of ionic ceramics

A multi-scale framework, combining a multiphase field formulation and large deformation mechanics, was developed as a stepping stone to perform the data analytics of the microstructural level kinetics of a sintering solid. Relevant microstructural information from this framework, such as grain, stress, and porosity statistics, was scaled up to describe the macroscopic level sintering kinetics. Here, the developed formulation was applied to describe the electric field assisted sintering of Y 2 O 3 . Microstructural inhomogeneities in a multi-granular solid result in the formation of a field of compressive stress networks, which interleave with low compression and weakly tensile regions, defining a scaffolding for sintering concentration regions to develop. A Poisson effect-induced lateral stress network is also naturally self-induced as a result of the mechanical constraints imposed by the sintering apparatus. For long sintering times, localized shear stresses enhancing mass flow along grain boundaries and internal surfaces develop. Three-sided pores are removed by either vacancy transport to the surrounding pores, or move towards the external surfaces through grain boundary diffusion. Four- and higher order-sided pores stabilize because an equal amount of vacancies are gained and lost through the connecting grain boundaries. Grain dewetting contributes to pore coalescence, suggesting that pore kinetics and grain growth are coupled and should be analyzed in concert. The combined sintering and grain growth kinetics define six regimes of sintering behavior: (1) T, the transient regime; (2) E$_Υ$, the surface energy dominated, early sintering regime, where the grain growth exponent, p = 1, and the stress concentration factor, $f$ ~ $1/\hat{ρ}^{4.6}$; (3) E S , the stress dominated, early sintering regime, where p = 1 and $f$ ~ $1/\hat{ρ}^{4}$; (4) I$_Υ$, the surface energy dominated, intermediate sintering regime, where p = 2 and $f$ ~ $1/\hat{ρ}^{4.6}$; (5) I S , the stress dominated, intermediate sintering regime, where p = 2 and $f$ ~ $1/\hat{ρ}^{4}$; and (6) L, the late sintering regime, where p = 3 and $f$ ~ 1. At the macroscopic level, the rapid densification and suppression of grain growth observed in the electric field assisted sintering process is a consequence of the compounding effects of the underlying stress-, transport-, and interfacial-energy-induced energy minimization kinetics, as predicted by the multi-scale framework.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Search for the 𝐾 𝐿 → 𝜋 0 ⁢$𝜈⁢\bar{𝜈}$ Decay at the J-PARC KOTO Experiment

We performed a search for the 𝐾 𝐿 → 𝜋 0 ⁢$𝜈⁢\bar{𝜈}$ decay using the data taken in 2021 at the J-PARC KOTO experiment. With newly installed counters and new analysis method, the expected background was suppressed to 0.252 ± 0.055 stat ⁢ $^{+0.052}_{{−0.067^{syst}}}$. With a single event sensitivity of (9.33 ± 0.0⁢6 stat ±0.8⁢4 syst ) × 10 −10 , no events were observed in the signal region. An upper limit on the branching fraction for the decay was set to be 2.2 ×10 −9 at the 90% confidence level (C.L.), which improved the previous upper limit from KOTO by a factor of 1.4. With the same data, a search for 𝐾 𝐿 → 𝜋 0 ⁢𝑋 0 was also performed, where 𝑋 0 is an invisible boson with a mass ranging from 1 to 260 MeV/𝑐 2 . For 𝑋 0 with a mass of 135 MeV/𝑐 2 , an upper limit on the branching fraction of 𝐾 𝐿 → 𝜋 0 ⁢𝑋 0 was set to be 1.6 ×10 −9 at the 90% C.L.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Accessing bands with extended quantum metric in kagome Cs 2 Ni 3 S 4 through soft chemical processing

Flat bands that do not merely arise from weak interactions can produce exotic physical properties, such as superconductivity or correlated many-body effects. The quantum metric can differentiate whether flat bands will result in correlated physics or are merely dangling bonds. A potential avenue for achieving correlated flat bands involves leveraging geometrical constraints within specific lattice structures, such as the kagome lattice; however, materials are often more complex. In these cases, quantum geometry becomes a powerful indicator of the nature of bands with small dispersions. We present a simple, soft-chemical processing route to access a flat band with an extended quantum metric below the Fermi level. By oxidizing Ni-kagome material Cs 2 Ni 3 S 4 to CsNi 3 S 4 , we see a two orders of magnitude drop in the room temperature resistance. However, CsNi 3 S 4 is still insulating, with no evidence of a phase transition. Using experimental data, density functional theory calculations, and symmetry analysis, our results suggest the emergence of a correlated insulating state of unknown origin.

Science & Technology - Other Topics↗
DOE OSTI2026

Systems Engineering and Analysis in Support of a US Federal Staging Facility for UNF

The US Department of Energy Office of Nuclear Energy (DOE-NE) Office of Spent Fuel and High-Level Waste Disposition is examining a set of system options and conducting supporting analyses to inform the development of an integrated waste management system, which may include one or more federal staging facilities (FSFs) for used nuclear fuel (UNF ) sited using a collaborative siting process. This paper focuses on the ongoing activities in two systems engineering and analysis work areas: (1) data and tools development, validation, and maintenance and (2) systems engineering execution. Within the first work area, the STANDARDS 5.0 UNF data and analysis tool, formerly known as UNF-ST&DARDS, is being developed as a foundational resource to assist in the management of UNF data. It has the key capability to model UNF throughout the entire back end of the fuel cycle. STANDARDS also includes several compatible analysis tools for the time-dependent characterization of UNF and related systems by interfacing with the SCALE code system for nuclear analysis and COBRA-SFS for thermal analysis. Also, within the data and tools area is the Next Generation System Analysis Model (NGSAM), which is an agent-based simulation software tool expressly designed to be capable of modeling the waste management system, including the transportation of UNF to and from a FSF. NGSAM has been developed to enable informed decision-making by providing the capability to analyze various potential system options for the management of UNF and high-level radioactive waste. Finally, in the systems engineering execution area, the team has begun to apply a disciplined systems engineering approach at the system level along with supporting analysis to guide the development of the FSF project requirements (including associated transportation infrastructure). Systems engineering principles and practices and their adaptation/application to design and development activities will ensure that the waste management system is effectively implemented as work proceeds. Other activities include investigating the implications of changes in various assumptions and parameters related to waste management systems, such as UNF acceptance rates, receipt logic, facility capacities and capabilities, use of standardized canisters, and different assumed facility operation start dates. Keywords: federal staging facility (FSF), used nuclear fuel (UNF), integrated waste management (IWM) system, Next Generation System Analysis Model (NGSAM), STANDARDS, systems engineering

Joseph, Robert↗
DOE OSTI2025

The DECADE cosmic shear project IV: cosmological constraints from 107 million galaxies across 5,400 deg$^2$ of the sky

We present cosmological constraints from the Dark Energy Camera All Data Everywhere (DECADE) cosmic shear analysis. This work uses shape measurements for 107 million galaxies measured through Dark Energy Camera (DECam) imaging of $5,\!412$ deg$^2$ of sky that is outside the Dark Energy Survey (DES) footprint. We derive constraints on the cosmological parameters $S_8 = 0.791^{+0.027}_{-0.032}$ and $Ω_{\rm m} =0.269^{+0.034}_{-0.050}$ for the $Λ$CDM model, which are consistent with those from other weak lensing surveys and from the cosmic microwave background. We combine our results with cosmic shear results from DES Y3 at the likelihood level, since the two datasets span independent areas on the sky. The combined measurements, which cover $\approx\! 10,\!000$ deg$^2$, prefer $S_8 = 0.791 \pm 0.023$ and $Ω_{\rm m} = 0.277^{+0.034}_{-0.046}$ under the $Λ$CDM model. These results are the culmination of a series of rigorous studies that characterize and validate the DECADE dataset and the associated analysis methodologies (Anbajagane et. al 2025a,b,c). Overall, the DECADE project demonstrates that the cosmic shear analysis methods employed in Stage-III weak lensing surveys can provide robust cosmological constraints for fairly inhomogeneous datasets. This opens the possibility of using data that have been previously categorized as ``unusable'' for cosmic shear analyses, thereby increasing the statistical power of upcoming weak lensing surveys.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Toward equitable environmental exposure modeling through convergence of data, open, and citizen sciences: an example of air pollution exposure modeling amidst increasing wildfire smoke

Exposure modeling is critical in environmental epidemiology and human health but may face challenges (e.g., skewed data, unequal error, context-insensitive validation, and computational demands). Modeling decisions reflect the intended use of the models and the values that modelers prioritize. We aimed to provide a conceptual framework and machine learning (ML) modeling protocols that address these issues. With 500m-gridded hourly PM 2.5 and O 3 levels in Illinois before, during, and after the 2023 Canadian wildfire season as a motivating example, we conducted modeling experiments to evaluate modeling methods, guided by three domains we propose based on theories of science: 1) Data Diversity, leveraging open and citizen science data to enhance inclusivity, parsimony, and representativeness; 2) Equitable Accuracy, ensuring fairly distributed uncertainties across subpopulations; and 3) Sustainable Modeling, balancing accuracy with reducing computational demands to promote accessibility for under-resourced researchers. Here, we found that ML with publicly available data can achieve high accuracy. Depending on methods, performance may vary substantially, even with identical input data. Large but skewed data may reduce performance. Misuse of cross-validation protocols can underestimate prediction error; although we observed R 2 s of ∼98 %, the modeled estimates varied significantly, indicating the need for careful model validation. By using new modeling protocols including representativeness-considered training and validation data and a new loss function, we achieved high agreement between estimates and ground-based measurements (e.g., R 2 = ∼90 % for PM 2.5 ; ∼80 % for O 3 ), equally distributed errors across sociodemographic strata and urban–rural divides, and reduction in computation time—from several weeks or months to a few days.

Exposure assessment↗
DOE OSTI2025

Advanced Analysis of X-ray Fluorescence Measurements of the Interfacial Density of Eu Ions at Liquid–Liquid Interfaces for Solvent Back-Extraction

X-ray fluorescence near total reflection (XFNTR) is the primary technique used to measure the element-specific interfacial density of ions at liquid−liquid interfaces. Fluorescence from ions in the bulk liquids can complicate the determination of the interfacial density; consequently, measurements have been previously limited to samples without ions in the upper phase and with concentrations on the order of 10 μM or less in the lower phase. We modify the analysis of XFNTR data to account for ions in both bulk phases, then demonstrate its use in the context of rare-earth separations processes. In a model of ion stripping (i.e., back-extraction), dodecane solutions of di(2-ethylhexyl)- phosphoric acid (HDEHP) loaded with Eu(III) at the 1 mM level are placed in contact with either pure water or aqueous solutions of nitric or citric acid at pH 3. XFNTR measurements of equilibrated, quiescent samples reveal that citric acid solutions produce a disproportionately large depletion of ions from the interface compared to that from the bulk organic solution, whereas stripping by pure water or nitric acid solutions is negligible. As a result, this advance in the methodology of XFNTR may have broad applicability to the investigation of metal ions in chemical and biological processes at liquid−liquid interfaces.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

A New 1D Model for Thermal Mixing and Stratification in Advanced Reactor Transients

Thermal mixing and stratification in large pools and enclosures play a critical role in the safety and performance of pool-type nuclear reactors, particularly during transient scenarios involving significant temperature differences between incoming and bulk coolant. Accurate modeling of these phenomena is essential for predicting system behavior and supporting passive safety features such as natural circulation. Here, this paper presents a new 1D model for thermal mixing and stratification, developed and implemented in the SAM code. The model represents a large pool as 1D coolant jet channels and zero-dimensional bulk pool volumes, enabling the simulation of a wide range of flow configurations, including hot and cold jet interactions, stratified layers, and the influence of complex geometries such as ceilings, free surfaces, and internal obstacles. Heat exchange between jet and pool regions is governed by closure relations calibrated against 3D computational fluid dynamics (CFD) simulations. The model improves upon earlier approaches by incorporating time-dependent jet characteristics and capturing the associated delay effects more accurately. Code-to-code comparisons and validation against experimental data from the Thermal Stratification Test Facility demonstrate the model’s accuracy and flexibility. This work offers two key contributions: (1) an efficient and robust method for simulating thermal mixing and stratification at the system level, eliminating the need for external coupling between system analysis codes and CFD, and (2) a significant enhancement of SAM’s capabilities to analyze thermal stratification phenomena in advanced reactor systems.

SAM↗
DOE OSTI2024

Band structure and Fermi surface nesting in LaSb 2

Here we use high-resolution angle-resolved photoemission spectroscopy (ARPES) and density functional theory (DFT) to investigate the electronic structure of the charge density wave (CDW) system LaSb 2 . This compound is among an interesting group of materials that manifests both a CDW transition and lower temperature superconductivity. We find the DFT calculations to be in good agreement with our ARPES data. The Fermi surface of LaSb 2 consists of two small hole pockets close to Γ and four larger pockets near the Brillouin zone boundary. The key features of the Fermi surface do not vary significantly with temperature. A saddle point is present at -0.19 eV below the Fermi level at Γ. Saddle points in the band structure have more pronounced effects on materials properties when they are located closer to the Fermi level, making doped LaSb 2 compounds a potential interesting subject of future research. Multiple peaks are present in the generalized, electronic susceptibility calculations, indicating the presence of three possible nesting vectors. We were not able to detect any signatures of the CDW transition at 355 K down to the lowest temperature of 7 K, pointing to the subtle nature of this transition. This is unusual, given that such a high transition temperature is expected to be associated with the presence of a large CDW gap. This is confirmed through investigation of the Fermi surface and through analysis of momentum distribution curves. It is possible that changes are subtle and occur below current sensitivity of our measurements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Physical-mass calculation of ρ ( 770 ) and K * ( 892 ) resonance parameters via π π and K π scattering amplitudes from lattice QCD

We present our study of the ρ ( 770 ) and K * ( 892 ) resonances from lattice quantum chromodynamics (QCD) employing domain-wall fermions at physical quark masses. We determine the finite-volume energy spectrum in various momentum frames and obtain phase-shift parametrizations via the Lüscher formalism and as a final step the complex resonance poles of the π π and K π elastic scattering amplitudes via an analytical continuation of the models. By sampling a large number of representative sets of underlying energy-level fits, we also assign a systematic uncertainty to our final results. This is a significant extension to data-driven analysis methods that have been used in lattice QCD to date, due to the two-step nature of the formalism. Our final pole positions, M + i Γ / 2 , with all statistical and systematic errors exposed, are M K * = 893 ( 2 ) ( 8 ) ( 54 ) ( 2 ) MeV and Γ K * = 51 ( 2 ) ( 11 ) ( 3 ) ( 0 ) MeV for the K * ( 892 ) resonance and M ρ = 796 ( 5 ) ( 15 ) ( 48 ) ( 2 ) MeV and Γ ρ = 192 ( 10 ) ( 28 ) ( 12 ) ( 0 ) MeV for the ρ ( 770 ) resonance. The four differently grouped sources of uncertainties are, in the order of occurrence: statistical, data-driven systematic, an estimation of systematic effects beyond our computation (dominated by the fact that we employ a single lattice spacing), and the error from the scale-setting uncertainty on our ensemble. Published by the American Physical Society 2025

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗