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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Probing scrambling and operator size distributions using random mixed states and local measurements

The dynamical spreading of quantum information through a many-body system, typically called scrambling, is a complex process that has proven to be essential to describe many properties of out-of-equilibrium quantum systems. Scrambling can, in principle, be fully characterized via the use of out-of-time-ordered correlation functions, which are notoriously hard to access experimentally. In this work, we put forward an alternative toolbox of measurement protocols to experimentally probe scrambling by accessing properties of the operator size probability distribution, which tracks the size of the support of observables in a many-body system over time. Our measurement protocols require the preparation of separable mixed states together with local operations and measurements, and combine the tools of randomized operations, a modern development of near-term quantum algorithms, with the use of mixed states, a standard tool in NMR experiments. We demonstrate how to efficiently probe the probability-generating function of the operator distribution and discuss the challenges associated with obtaining the moments of the operator distribution. We further show that manipulating the initial state of the protocol allows us to directly obtain the individual elements of the distribution for small system sizes. Published by the American Physical Society 2024

Blocher, Philip Daniel (ORCID:0000000163027567)↗
DOE OSTI2020

A framework for quantitative analysis of spectral data in two channels

Simultaneous acquisition of emission intensity from two channels in dual-color fluorescence measurements can be used to determine the spectral properties of an emitter. We detail a method to extract quantitative information from dual-color measurements by considering two models: a single spectral component model for peak wavelength determination and a dual spectral component model for relative strength determination. The former model is useful for spectral characterization and establishing heterogeneity within an emitter species, while the latter model is useful for analyzing energy transfer efficiency. Both models are formalized to yield probability distributions that reflect uncertainties due to shot noise. We applied these analysis tools to single-particle measurements of CdSe/CdS quantum dots. Isolated emitters had narrow spectral-intensity distributions that reflected their static emission profiles and fluorescence stability. Small assemblies of mixed donor/acceptor particles exhibited dynamic behavior where emission configuration changes reveal different spectral characteristics due to energy transfer.

36 MATERIALS SCIENCE↗
DOE OSTI2025

$H_0$ Without the Sound Horizon (or Supernovae): A 2% Measurement in DESI DR1

The sound horizon scale $r_s$ is a key source of information for early-time $H_0$ measurements, and is therefore a common target of new physics proposed to solve the Hubble tension. We present a sub-2% measurement of the Hubble constant that is independent of this scale, using data from the first data release of the Dark Energy Spectroscopic Instrument (DESI DR1). Building on previous work, we remove dependency on the sound horizon size using a heuristic rescaling procedure at the power spectrum level. A key innovation is the inclusion of \emph{uncalibrated} (agnostic to $r_s$) post-reconstruction BAO measurements from DESI DR1, as well as using the CMB acoustic scale $θ_*$ as a high-redshift anchor. Uncalibrated type-Ia supernovae are often included as an independent source of $Ω_m$ information; here we demonstrate the robustness of our results by additionally considering two supernova-independent alternative datasets. We find somewhat higher values of $H_0$ relative to our previous work: $69.2^{+1.3}_{-1.4}$, $70.3^{+1.4}_{-1.2}$, and $69.6^{+1.3}_{-1.8}\,{\rm km\,s^{-1}\,Mpc^{-1}}$ respectively when including measurements from i) Planck/ACT CMB lensing $\times$ unWISE galaxies, ii) the DES Year 3 6$\times$2pt analysis, and iii) Planck/ACT CMB lensing + the DES Year 5 supernova analysis. These remarkably consistent constraints achieve better than 2% precision; they are among the most stringent sound horizon-independent measurements from LSS to date, and provide a powerful avenue for probing the origin of the Hubble tension.

Cosmology and Nongalactic Astrophysics (astro-ph.C↗
DOE OSTI2022

Modeling Heterogeneity in UO 2 Nanoparticles Using X‐ray Absorption Spectroscopy

Abstract EXAFS provides the capability to interrogate nanoparticle (NP) structure in atomistic detail without relying on long‐range crystallinity. There is a limitation in that EXAFS provides averaged structural information, making it difficult to separate a small amount of heterogeneous structure from bulk. In this work, models were developed to extract surface‐specific information from conventional EXAFS measurements collected on UO 2 NPs of varying size. Specifically, the surface terminating species of UO 2 NPs was determined from comparison of coordination numbers with geometric models while the origin of static disorder was interrogated from user‐defined simulations. Results show that the degree of oxygenation on the NP surface does not significantly deviate from bulk surface and that static disorder is highly enhanced in NP surface layers but cannot be attributed to surface relaxation effects alone. The approach described herein has the potential to be adapted to a range of inorganic NP systems to interrogate surface structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Dynamic Line Rating Models and Their Potential for a Cost‐Effective Transition to Carbon‐Neutral Power Systems

Most transmission system operators (TSOs) currently use seasonally steady-state models considering limiting weather conditions that serve as reference to compute the transmission capacity of overhead power lines. The use of dynamic line rating (DLR) models can avoid the construction of new lines, market splitting, false congestions, and the degradation of lines in a cost-effective way. DLR can also be used in the long run in grid extension and new power capacity planning. In the short run, it should be used to help operate power systems with congested lines. The operation of the power systems is planned to have the market trading into account; thus, it computes transactions hours ahead of real-time operation, using power flow forecasts affected by large errors. In the near future, within a “smart grid” environment, in real-time operation conditions, TSOs should be able to rapidly compute the capacity rating of overhead lines using DLR models and the most reliable weather information, forecasts, and line measurements, avoiding the current steady-state approach that, in many circumstances, assumes ampacities above the thermal limits of the lines. Here, this work presents a review of the line rating methodologies in several European countries and the United States. Furthermore, it presents the results of pilot projects and studies considering the application of DLR in overhead power lines, obtaining significant reductions in the congestion of internal networks and cross-border transmission lines.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

Study of very forward energy and its correlation with particle production at midrapidity in pp and p-Pb collisions at the LHC

The energy deposited at very forward rapidities (very forward energy) is a powerful tool for characterising proton fragmentation in pp and p-Pb collisions. The correlation of very forward energy with particle production at midrapidity provides direct insights into the initial stages and the subsequent evolution of the collision. Furthermore, the correlation with the production of particles with large transverse momenta at midrapidity provides information complementary to the measurements of the underlying event, which are usually interpreted in the framework of models implementing centrality-dependent multiple parton interactions. Results about very forward energy, measured by the ALICE zero degree calorimeters (ZDCs), and its dependence on the activity measured at midrapidity in pp collisions at $\sqrt{s}$ = 13 TeV and in p-Pb collisions at $\sqrt{s{NN}}$ = 8.16 TeV are discussed. The measurements performed in pp collisions are compared with the expectations of three hadronic interaction event generators: PYTHIA 6 (Perugia 2011 tune), PYTHIA 8 (Monash tune), and EPOS LHC. These results provide new constraints on the validity of models in describing the beam remnants at very forward rapidities, where perturbative QCD cannot be used.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Gas hydrate deposit formation in transient flowloop tests and mitigation with a surface treatment

Thermodynamic and thermal mitigation strategies are traditionally utilized to prevent gas hydrate formation but may be rendered ineffective for certain unplanned, extended shut-in scenarios. Unfortunately, the current knowledge regarding transient gas hydrate formation has been extremely limited to only a few studies and unable to address this complex issue adequately. This work, conducted in a lab-scale flowloop, aims to add to the understanding of this area by delving into the implications of transient conditions on gas hydrate formation mechanisms, while also exploring a possible mitigation strategy of a surface treatment. Specifically, the effects of phase separation on gas hydrate formation locations, transportability, and plugging are presented for an oil-dominated system. An omniphobic surface treatment is shown to affect initial gas hydrate deposition and its wall adherence strength, as well as the overall plugging outcome. Overall, this work combines observational information with process data measurements to provide a better understanding of phase separated gas hydrate systems and passive deposition mitigation strategies. This can further aid advanced gas hydrate modeling efforts, which currently do not adequately address transient flow effects on phase separation/dispersion. Here, it offers representative gas hydrate testing for coatings, which have exclusively been limited to non-flowing and/or bench-scale analysis, to give confidence in their potential application as advanced deposition prevention tools.

03 NATURAL GAS↗
DOE OSTI2024

Formation of Mn-rich interfacial phases in Co 2 Fe x Mn 1-x Si thin films

Here, we report the formation of Mn-rich regions at the interface of Co 2 Fe x Mn 1-x Si thin films grown on GaAs substrates by molecular beam epitaxy (MBE). Scanning transmission electron microscopy (STEM) with electron energy loss (EEL) spectrum imaging reveals that each interfacial region: (1) is 1–2 nm wide, (2) occurs irrespective of the Fe/Mn composition ratio and in both Co-rich and Co-poor films, and (3) displaces both Co and Fe indiscriminately. We also observe a Mn-depleted region in each film directly above each Mn-rich interfacial layer, roughly 3 nm in width in the x = 0 and x = 0.3 films, and 1 nm in the x = 0.7 (less Mn) film. We posit that growth energetics favor Mn diffusion to the interface even when there is no significant Ga interdiffusion into the epitaxial film. Element-specific X-ray magnetic circular dichroism (XMCD) measurements show larger Co, Fe, and Mn orbital to spin magnetic moment ratios compared to bulk values across the Co 2 Fe x Mn 1-x Si compositional range. The values lie between reported values for pure bulk and nanostructured Co, Fe, and Mn materials, corroborating the non-uniform, layered nature of the material on the nanoscale. Finally, SQUID magnetometry demonstrates that the films deviate from the Slater-Pauling rule for uniform films of both the expected and the measured composition. The results inform a need for care and increased scrutiny when forming Mn-based magnetic thin films on III-V semiconductors like GaAs, particularly when films are on the order of 5 nm or when interface composition is critical to spin transport or other device applications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Understanding the Hydronium Cation in the Solid State: A Study in Synthetic Hydronium Uranyl Phosphate and Arsenate Mineral Systems and Their Irradiation Stability

Here, we present neutron diffraction, electronic structure calculations, and optical vibrational spectroscopic characterization of hydronium uranyl phosphate (HUP), the synthetic analog of chernikovite ((H 3 O)(UO 2 )(PO 4 )·3H 2 O) to gain insight into structural features of the hydronium cation in the solid state. HUP crystallizes in P2 1 /c instead of previously reported P4/ncc 1 at room temperature and Pccn below 302 K. Lower symmetry was required due to hydronium and interstitial water positions within the structure. Crystallographic positions of hydronium cations determined from powder neutron diffraction data are bolstered by Raman and attenuated total reflectance infrared spectroscopic measurements and are further informed by density functional theory with phonon eigenvector analysis for spectral assignments. Finally, HUP and its arsenate analog (trogerite, (H 3 O)(UO 2 )(AsO 4 )·3H 2 O), (HUAs) were studied using He 2+ irradiation as an analog for α radiolysis to investigate the irradiation stability of these phases and the stability of hydronium cations in the solid state. Dose studies were employed wherein each sample was irradiated to 5, 10, 15, 25, and 50 MGy. Structural insight regarding irradiated materials is gained using optical vibrational spectroscopy and powder X-ray diffraction. Surprising irradiation stability of HUAs was found up to 50 MGy of dose, which may have important implications for understanding and modeling the geologic stability of legacy U.

actinides↗
DOE OSTI2026

Accessibility and Reactivity of Pentavalent Plutonium under Alkaline Conditions

Plutonium exhibits a particularly complex and rich aqueous chemistry due to a dynamic redox equilibrium that can result in the coexistence of four different oxidation states in aqueous solution. Within this equilibrium, pentavalent plutonium is among the most soluble and dominant oxidation states of Pu in neutral to alkaline aqueous solutions of relevance to environmental chemistries and the extreme chemical environments encountered in high-level radioactive wastes. Despite this, the fundamental chemistry of Pu­(V) under such conditions remains poorly understood. Here, in this study, we demonstrate the redox accessibility of Pu­(V) in alkaline media based on the observations of an electrochemically reversible Pu­(VI/V) couple at E 1/2 = 0.19 V vs Hg/HgO (0.29 V vs NHE), allowing us to electrolytically generate Pu­(V) in alkaline solution. These Pu­(V) solutions remained stable under ambient conditions for at least 9 days before precipitation of crystalline Na 2 [Pu V O 2 (OH) 3 ]·2H 2 O, the first structurally characterized Pu­(V) hydroxide. The modest potential of the Pu­(VI/V) redox couple allowed us to reproduce Na 2 [Pu V O 2 (OH) 3 ]·2H 2 O synthetically as well as isolate two additional novel Pu­(V)-bearing hydroxide phases Na­[Pu V O 2 (OH) 2 (H 2 O)]·2.5H 2 O and K 2 [Pu V O 2 (OH) 3 ]·2H 2 O as single crystals from alkaline reactions under mild hydrothermal conditions (<200 °C) using Na 2 O 2 and KO 2 as reductants. This reactivity is rationalized and informed by our electrochemical measurements. The properties of the Pu­(V) solids were further characterized by using vibrational and optical spectroscopy.

Kravchuk, Dmytro V. [Argonne National Laboratory (↗
DOE OSTI2022

1 H chemical shift anisotropy: a high sensitivity solid-state NMR dynamics probe for surface studies?

We report dynamics play significant roles in chemistry and biochemistry-molecular motions impact both large- and small-scale chemical reactions in addition to biochemical processes. In many systems, including heterogeneous catalysts, the characterization of dynamics remains a challenge. The most common approaches involve the solid-state NMR measurement of anisotropic interactions, in particular 2 H quadrupolar coupling and 1 H–X dipolar coupling, which generally require isotope enrichment. Due to the high sensitivity of 1 H NMR, 1 H chemical shift anisotropy (CSA) is a particularly enticing, and underexplored, dynamics probe. We carried out 1 H CSA and 1 H– 13 C dipolar coupling measurements in a series of model supported complexes to understand how 1 H CSA can be leveraged to gain dynamic information for heterogeneous catalysts. Mathematical descriptions are given for the dynamic averaging of the CSA tensor, and its dependence on orientation and asymmetry. The variability of the orientation of the tensor in the molecular frame, in addition to its magnitude and asymmetry, negatively impacts attempts to extract quantitative dynamic information. Nevertheless, 1 H CSA measurements can reveal useful qualitative insights into the motions of a particularly dilute site, such as from a surface species.

1H chemical shift anisotropy↗
DOE OSTI2022

The QICK (Quantum Instrumentation Control Kit): Readout and control for qubits and detectors

We introduce a Xilinx RF System-on-Chip (RFSoC)-based qubit controller (called the Quantum Instrumentation Control Kit, or QICK for short), which supports the direct synthesis of control pulses with carrier frequencies of up to 6 GHz. The QICK can control multiple qubits or other quantum devices. The QICK consists of a digital board hosting an RFSoC field-programmable gate array, custom firmware, and software and an optional companion custom-designed analog front-end board. We characterize the analog performance of the system as well as its digital latency, important for quantum error correction and feedback protocols. We benchmark the controller by performing standard characterizations of a transmon qubit. We achieve an average gate fidelity of ℱ avg =99.93%. All of the schematics, firmware, and software are open-source.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Measuring thermal profiles in high explosives using neural networks

We present a new method for calculating the temperature profile of high explosive (HE) material using a Convolutional Neural Network (CNN). To train/test the CNN, we have developed a hybrid experiment/simulation method for collecting acoustic and temperature data. We experimentally heat cylindrical containers of HE material until detonation/deflagration, where we continuously measure the acoustic bursts through the HE using multiple acoustic transducers lined around the exterior container circumference. However, measuring the temperature profile in the HE in an experiment would require inserting a large number of thermal probes, which would disrupt the heating process. Thus, we use two thermal probes, one at the HE center and one at the wall. We then use numerical simulation of the heating process to calculate the temperature distribution and correct the simulated temperatures based on the experimental center and wall temperatures. We calculate temperature errors on the order of 15 °C, which is ∼12% of the range of temperatures in the experiment. We also investigate how the algorithm’s accuracy is affected by the number of acoustic receivers used to collect each measurement and the resolution of the temperature prediction. This work provides a means of assessing the safety status of HE material, which cannot be achieved using existing temperature measurement methods. In addition, it has implications for a range of other applications where internal temperature profile measurements would provide critical information. These applications include detecting chemical reactions, observing thermodynamic processes such as combustion, monitoring metal or plastic casting, determining the energy density in thermal storage capsules, and identifying abnormal battery operations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Measurements of the electron energy distribution function in partially magnetized low temperature plasmas

While Langmuir probes (LPs) are relatively simple and inexpensive plasma diagnostics for the electron density, temperature, and the electron energy distribution function (EEDF), the interpretation of the measured current–voltage (I–V) characteristic is complicated considerably by the presence of a magnetic field. In regimes where the electron gyroradius is comparable to the probe radius, the electron flux to the probe surface is retarded by reduced mobility across field lines and can no longer be described by a thermal model. Predicting the current collected by the probe in these regimes requires accurate estimates of the plasma diffusion coefficients, which are usually difficult to obtain. In this work, we measure electron energy distribution functions in E×B plasmas with magnetized electrons and non-magnetized ions in argon and krypton gases, using both a LP and laser Thomson scattering (LTS) at various magnetic fields. Using the LTS measurements to provide a robust benchmark for comparison, we compare existing theories describing the flux to the probe under magnetized conditions. We find that even when the electron gyroradius associated with the effective electron temperature is small compared to the probe radius, the EEDF computed using classical probe theory is still robust at energies higher than the energy at which the gyroradius becomes larger than the probe size. For plasmas that are not strongly non-Maxwellian, we formulate a method to extract robust density and temperature measurements using physics-informed fitting techniques to analyze EEDFs computed using classical theory.

Devin, E. G. [Princeton Plasma Physics Laboratory ↗
DOE OSTI2024

Impurity gas detection for SNF canisters using probabilistic deep learning and acoustic sensing *

Abstract Monitoring impurity gases in spent nuclear fuel (SNF) canisters is a novel structural health monitoring approach for SNF in dry storage. The SNF canisters are sealed containers that do not facilitate visual access to the inside. Acoustic sensing can be deployed by taking advantage of the pathways unobstructed by internal hardware. Although the ultrasonic time-of-flight measurement can provide valuable information, it is limited in its ability to discern the concentration of only one impurity gas. As such, deep learning algorithms, particularly convolutional neural networks (CNNs), offer a promising solution. In this study, CNN-based probabilistic deep learning models were implemented to detect and quantify multiple impurity gases in helium. An experimental platform was established to simulate canister conditions, and ultrasonic test data were collected. The presence of argon and air in helium at concentrations ranging from 0% to 1.2% at increments of 0.05% was considered. The multi-layer perceptron, decision tree, and logistic regression classifiers achieved high accuracies when distinguishing pure helium from helium with impurities. CNN with dropout layers and CNN using maximum likelihood estimation showed a similar performance, indicating their ability to capture uncertainties. The ensemble CNN model exhibited improved predictions and the ability to balance individual gas concentration by integrating 1D- and 2D-CNN models. These findings contribute probabilistic deep learning solutions for impurity gas detection and analysis within SNF canisters, thus ensuring safe storage and management of SNFs.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

ETROC1: the first full chain precision timing prototype ASIC for CMS MTD endcap timing layer upgrade

We present the design and characterization of the first fullchain precision timing prototype ASIC, named ETL Readout Chipversion 1 (ETROC1) for the CMS MTD endcap timing layer (ETL)upgrade. The ETL utilizes Low Gain Avalanche Diode (LGAD) sensors todetect charged particles, with the goal to achieve a time resolutionof 40–50 ps per hit, and 30–40 ps per track with hits from twodetector layers. The ETROC1 is composed of a 5 × 5 pixelarray and peripheral circuits. The pixel array includes a4 × 4 active pixel array with an H-tree shaped networkdelivering clock and charge injection signals. Each active pixel iscomposed of various components, including a bump pad, a chargeinjection circuit, a pre-amplifier, a discriminator, adigital-to-analog converter, and a time-to-digital converter. Thesecomponents play essential roles as the front-end link in processingLGAD signals and measuring timing-related information. Theperipheral circuits provide clock signals and readoutfunctionalities. The size of the ETROC1 chip is7 mm× 9 mm. ETROC1 has been fabricated in a 65 nmCMOS process, and extensively tested under stimuli of chargeinjection, infrared laser, and proton beam. The time resolution ofbump-bonded ETROC1 + LGAD chipsets reaches 42–46 ps per hit in thebeam test.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Quantifying the Variability of “Fixed-Width” Buffers on Harvested Lands in Western Oregon and Washington

In contemporary forest management, buffers of unharvested trees are left along streams to protect riparian and aquatic ecosystems. Buffer regulations often focus on specific minimum width requirements, which aid in straightforward regulation and application, but minimum widths also suggest buffered edges are uniform and contain little variability. Conceptual papers suggest that alternative buffer configurations may offer greater flexibility in landscape-level protection, increase forest complexity, and enhance aquatic and riparian biodiversity. However, before considering alternatives to fixed-width buffers, it is necessary to quantify the inherent variability in current buffer practices present on the landscape. In this study, we used aerial imagery to quantify variability of buffer widths in two hundred randomly selected recently harvested units on managed land in Oregon and Washington with both fish-bearing and non-fish-bearing sections of stream. Wider buffers on larger streams had a greater magnitude of variability, but when normalized by stream size, variation was greater in smaller streams, and overall, variation ranged from 25% to 50% of the mean width. Despite local variability, buffer widths rarely fell below 9.14 m (30 ft). The variation quantified here provides an initial measure of variability to inform future management, given emerging interest in variable retention buffers.

58 GEOSCIENCES↗
DOE OSTI2022

Forecasting the potential of weak lensing magnification to enhance LSST large-scale structure analyses

ABSTRACT Recent works have shown that weak lensing magnification must be included in upcoming large-scale structure analyses, such as for the Vera C. Rubin Observatory Legacy Survey of Space and Time (LSST), to avoid biasing the cosmological results. In this work, we investigate whether including magnification has a positive impact on the precision of the cosmological constraints, as well as being necessary to avoid bias. We forecast this using an LSST mock catalogue and a halo model to calculate the galaxy power spectra. We find that including magnification has little effect on the precision of the cosmological parameter constraints for an LSST galaxy clustering analysis, where the halo model parameters are additionally constrained by the galaxy luminosity function. In particular, we find that for the LSST gold sample (i < 25.3) including weak lensing magnification only improves the galaxy clustering constraint on Ωm by a factor of 1.03, and when using a very deep LSST mock sample (i < 26.5) by a factor of 1.3. Since magnification predominantly contributes to the clustering measurement and provides similar information to that of cosmic shear, this improvement would be reduced for a combined galaxy clustering and shear analysis. We also confirm that not modelling weak lensing magnification will catastrophically bias the cosmological results from LSST. Magnification must therefore be included in LSST large-scale structure analyses even though it does not significantly enhance the precision of the cosmological constraints.

79 ASTRONOMY AND ASTROPHYSICS↗