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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Nature of S-States in the Oxygen-Evolving Complex Resolved by High-Energy Resolution Fluorescence Detected X-ray Absorption Spectroscopy

Photosystem II, the water splitting enzyme of photosynthesis, utilizes the energy of sunlight to drive the four-electron oxidation of water to dioxygen at the oxygen-evolving complex (OEC). The OEC harbors a Mn 4 CaO 5 cluster that cycles through five oxidation states S i (i = 0–4). The S 3 state is the last metastable state before the O 2 evolution. Its electronic structure and nature of the S 2 → S 3 transition are key topics of persisting controversy. Most spectroscopic studies suggest that the S 3 state consists of four Mn(IV) ions, compared to the Mn(III)Mn(IV) 3 of the S 2 state. However, recent crystallographic data have received conflicting interpretations, suggesting either metal- or ligand-based oxidation, the latter leading to an oxyl radical or a peroxo moiety in the S 3 state. Herein, we utilize high-energy resolution fluorescence detected (HERFD) X-ray absorption spectroscopy to obtain a highly resolved description of the Mn K pre-edge region for all S-states, paying special attention to use chemically unperturbed S 3 state samples. In combination with quantum chemical calculations, we achieve assignment of specific spectroscopic features to geometric and electronic structures for all S-states. These data are used to confidently discriminate between the various suggestions concerning the electronic structure and the nature of oxidation events in all observable catalytic intermediates of the OEC. Our results do not support the presence of either peroxo or oxyl in the active configuration of the S 3 state. This establishes Mn-centered storage of oxidative equivalents in all observable catalytic transitions and constrains the onset of the O–O bond formation until after the final light-driven oxidation event.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Sensory stimulation for upper limb amputations modulates adaptability of cortical large-scale systems and combination of somatosensory and visual inputs

Abstract Touch-like phantom limb sensations can be elicited through targeted transcutaneous electrical nerve stimulation (tTENS) in individuals with upper limb amputation. The corresponding impact of sensory stimulation on cortical activity remains an open question. Brain network research shows that sensorimotor cortical activity is supported by dynamic changes in functional connections between relevant brain regions. These groups of interconnected regions are functional modules whose architecture enables specialized function and related neural processing supporting individual task needs. Using electroencephalographic (EEG) signals to analyze modular functional connectivity, we investigated changes in the modular architecture of cortical large-scale systems when participants with upper limb amputations performed phantom hand movements before, during, and after they received tTENS. We discovered that tTENS substantially decreased the flexibility of the default mode network (DMN). Furthermore, we found increased interconnectivity (measured by a graph theoretic integration metric) between the DMN, the somatomotor network (SMN) and the visual network (VN) in the individual with extensive tTENS experience. While for individuals with less tTENS experience, we found increased integration between DMN and the attention network. Our results provide insights into how sensory stimulation promotes cortical processing of combined somatosensory and visual inputs and help develop future tools to evaluate sensory combination for individuals with amputations.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Journey over Destination: Dynamic Sensor Placement Enhances Generalization

Reconstructing complex, high-dimensional global fields from limited data points is a challenge across various scientific and industrial domains. This is particularly important for recovering spatio-temporal fields using sensor data from, for example, laboratory-based scientific experiments, weather forecasting, or drone surveys. Given the prohibitive costs of specialized sensors and the inaccessibility of
certain regions of the domain, achieving full field coverage is typically not feasible. Therefore, the development of machine learning algorithms trained to reconstruct fields given a limited dataset is of critical importance. In this study, we introduce a general
approach that employs moving sensors to enhance data exploitation during the training of an attention based neural network, thereby improving field reconstruction. The training of sensor locations is accomplished using an end-to-end workflow, ensuring
differentiability in the interpolation of field values associated to the sensors, and is simple to implement using differentiable programming. Additionally, we have incorporated a correction mechanism to prevent sensors from entering invalid regions within the domain. We evaluated our method using two distinct datasets; the results show that our approach enhances learning, as evidenced by improved test scores.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

The impact of adjusting for hysterectomy prevalence on cervical cancer incidence rates and trends among women aged 30 years or older—United States, 2001-2019

Abstract Hysterectomy protects against cervical cancer when the cervix is removed. However, measures of cervical cancer incidence often fail to exclude women with a hysterectomy from the population-at-risk denominator, underestimating and distorting disease burden. In this study, we estimated hysterectomy prevalence from the Behavioral Risk Factor Surveillance System surveys to remove the women who were not at risk of cervical cancer from the denominator and combined these estimates with the US Cancer Statistics data. From these data, we calculated age-specific and age-standardized incidence rates for women aged >30 years from 2001-2019, adjusted for hysterectomy prevalence. We calculated the difference between unadjusted and adjusted incidence rates and examined trends by histology, age, race and ethnicity, and geographic region using joinpoint regression. The hysterectomy-adjusted cervical cancer incidence rate from 2001-2019 was 16.7 per 100 000 women—34.6% higher than the unadjusted rate. After adjustment, incidence rates were higher by approximately 55% among Black women, 56% among those living in the East South Central division, and 90% among women aged 70-79 and ≥80 years. These findings underscore the importance of adjusting for hysterectomy prevalence to avoid underestimating cervical cancer incidence rates and masking disparities by age, race, and geographic region. This article is part of a Special Collection on Gynecological Cancers.

Public, Environmental & Occupational Health↗
DOE OSTI2021

Study of the normalized transverse momentum distribution of W bosons produced in $p\bar{p}$ collisions at $\sqrt{s}$ = 1.96 TeV

We present a study of the normalized transverse momentum distribution of W bosons produced in $p\bar{p}$ collisions, using data corresponding to an integrated luminosity of 4.35 fb -1 collected with the D0 detector at the Fermilab Tevatron collider at $\sqrt{s}$ = 1.96 TeV. The measurement focuses on the transverse momentum region below 15 GeV, which is of special interest for electroweak precision measurements; it relies on the same detector calibration methods which were used for the precision measurement of the W boson mass. The measured distribution is compared to different QCD predictions and a procedure is given to allow the comparison of any further theoretical models to the D0 data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Structure and lattice excitations of the copper substituted lead oxyapatite Pb 9.06⁢(7)⁢ Cu 0.94⁢(6)⁢ (PO 3.92⁢(4) ) 6 ⁢O 0.96⁢(3)

The copper substituted lead oxyapatite, Pb 10-x⁢ Cu x (PO 3.92⁢(4) ) 6 ⁢O 0.96⁢(3) [x = 0.94(6)] was studied using neutron and x-ray diffraction and neutron spectroscopy techniques. The crystal structure of the main phase of our sample, which has come to be colloquially known as LK-99, is verified to possess a hexagonal structure with space group P6 3 /m, alongside the presence of impurity phases Cu and Cu 2 ⁢S. We determine the primary substitution location of the Cu as the Pb1 (6⁢ℎ) site, with a small substitution at the Pb2 (4⁢f) site. Consequently, no clear Cu-doping-induced structural distortion was observed in the investigated temperature region between 10 K and 300 K. Specially, we did not observe a reduction of coordinate number at the Pb2 site or a clear tilting of PO 4 tetrahedron. Magnetic characterization reveals a diamagnetic signal in the specimen, accompanied by a very weak ferromagnetic component at 2 K. No long-range magnetic order down to 10 K was detected by the neutron diffraction. Inelastic neutron scattering measurements did not show magnetic excitations for energies up to 350 meV. There is no sign of a superconducting resonance in the excitation spectrum of this material. The measured phonon density of states compares well with density functional theory calculations performed for the main LK-99 phase and its impurity phases. Our study may shed some insight into the role of the favored substitution site of copper in the absence of structural distortion and superconductivity in LK-99.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Special Issue of IJGGC: Nexus of Water and Carbon Capture and Storage

The mission of the Regional Carbon Sequestration Partnership (RCSP) Water Working Group (WWG) is to address stakeholder concerns regarding emerging carbon capture and storage (CCS) technology and potential interactions with local and regional water resources. As part of that mission, the WWG has been working with the International Journal of Greenhouse Gas Control (IJGGC) to develop a Special Issue dedicated to the nexus of water and CCS. Research papers were solicited, edited, and subsequently published in IJGGC. These articles were then submitted to IJGGC on December, 29, 2016, to be published online in a virtual special issue. The articles published in the virtual special issue build upon the research that has been published in IJGGC over the previous 4 years to complete a more comprehensive understanding of water issues associated with CCS.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Soil properties explain tree growth and mortality, but not biomass, across phosphorus-depleted tropical forests

We observed strong positive relationships between soil properties and forest dynamics of growth and mortality across twelve primary lowland tropical forests in a phosphorus-poor region of the Guiana Shield. Average tree growth (diameter at breast height) increased from 0.81 to 2.1 mm yr -1 along a soil texture gradient from 0 to 67% clay, and increasing metal-oxide content. Soil organic carbon stocks in the top 30cm ranged from 30 to 118 tons C ha -1 , phosphorus content ranged from 7 to 600 mg kg -1 soil, and the relative abundance of arbuscular mycorrhizal fungi ranged from 0 to 50%, all positively correlating with soil clay, and iron and aluminum oxide and hydroxide content. In contrast, already low extractable phosphorus (Bray P) content decreased from 4.4 to <0.0 mg kg -1 in soil with increasing clay content. A greater prevalence of arbuscular mycorrhizal fungi in more clayey forests that had higher tree growth and mortality, but not biomass, indicates that despite the greater investment in nutrient uptake required, soils with higher clay content may actually serve to sustain high tree growth in tropical forests by avoiding phosphorus losses from the ecosystem. Our study demonstrates how variation in soil properties that retain carbon and nutrients can help to explain variation in tropical forest growth and mortality, but not biomass, by requiring niche specialization and contributing to biogeochemical diversification across this region.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Training toward significance with the decorrelated event classifier transformer neural network

Experimental particle physics uses machine learning for many tasks, where one application is to classify signal and background events. This classification can be used to bin an analysis region to enhance the expected significance for a mass resonance search. In natural language processing, one of the leading neural network architectures is the transformer. In this work, an event classifier transformer is proposed to bin an analysis region, in which the network is trained with special techniques. The techniques developed here can enhance the significance and reduce the correlation between the network’s output and the reconstructed mass. It is found that this trained network can perform better than boosted decision trees and feed-forward networks. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2024

Design of Hypothetical Processes for the Production of 131 I and 99 Mo from Activation Targets

For over six decades, medical isotope production has been a high-priority focus of many research reactors across the globe. The majority of these isotopes were produced using highly-enriched uranium (HEU) or low enriched uranium (LEU) – delivering millions of doses of diagnostic and therapeutic isotopes. As a consequence of this production, however, six decades of isotope production has resulted in massive quantities of spent uranium material worldwide with no known disposition pathway creating growing proliferation concerns. Supported by the National Nuclear Security Administration’s (NNSA) Material Management and Minimization (M3) program, there has been increased focus in the production of high-priority isotopes without special nuclear materials or without uranium altogether. Isotope production via activation can potentially fulfill regional isotope demands – particularly in under-developed regions without access to isotope supply chains. The benefits of this approach would be a reduction in uranium proliferation risks, less special nuclear material wastes, and reduced risk of supply disruption in the likely event that major isotope producers will again go off-line as has happened in recent years due to a number of factors.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2026

2012-2013 Delaware Valley Household Travel Survey

The 2012-2013 Delaware Valley Household Travel Survey collected data for multiple planning purposes such as the calibration of a new activity-based travel demand model. It features data from households across nine counties in the region, including southern New Jersey and southeastern Pennsylvania. The Delaware Valley Regional Planning Commission (DVRPC) sponsored the survey, which was administered by Abt Srbi Inc. A sampling strategy was designed to recruit households for survey participation that would best represent overall regional travel trends. Households were selected randomly, but with special consideration given to under-represented geographies and transit propensity. On their assigned travel day, households were asked to record all trips made within a 24-hour period. Additionally, select households were chosen to participate in a wearable global positioning system (GPS) technology-based component of the study. A total of 811 participants wore the GPS system.

1Hz data↗
DOE OSTI2024

Composite octet baryons in a relativistic mean field description of nuclear and neutron star matter

Here, we examine the properties of composite octet baryons in the nuclear medium and neutron-star matter. The internal quark-diquark structure of the octet baryons and the equations of state of nuclear matter and neutron-star matter in the mean field approximation are described by using the three-flavor Nambu-Jona-Lasinio (NJL) model as an effective quark theory of quantum chromodynamics. After introducing our model, we first discuss the properties of single baryons and their effective meson exchange interactions in symmetric nuclear matter by using concepts of Fermi-liquid theory. Several model-independent implications of this description are derived and illustrated by numerical results obtained in our model. Second, we extend the model description to high baryon densities and investigate the equation of state of neutron-star matter and the resulting star masses. We find that the so-called hyperon puzzle persists also for the case of composite hadrons. To get more information on this point, we also investigate the role of 6-Fermi and 8-Fermi interactions, in addition to the standard 4-Fermi interactions. The strengths of those higher-order Fermi interactions is determined so as not to spoil the saturation properties of nuclear matter. Among them, an interaction characterized by a product of four-quark current operators plays a special role to stabilize the stars over a large region of central baryon densities, although it has little effect on the maximum star masses.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Persistent Current Simulation for CCT Testing Magnet Used in EIC

The Electron-Ion Collider (EIC), a powerful new facility to be built in the United States at the U.S. Department of Energy's Brookhaven National Laboratory in collaboration with Thomas Jefferson National Accelerator Facility, will explore the most fundamental building blocks of nearly all visible matter. Here, there are many different types of superconducting magnets near the interaction region (IR) of EIC. Due to space constraints and special lattice requirements, Tapered CCT (canted-cosine theta) magnets have been used for EIC. At beam injection, the magnetic field is only ~5.5% of the maximum operating field. Considerable field errors will be generated from persistent current in superconducting strands even using very fine filament for those superconductors. A tapered CCT demonstrator magnet has been built and tested successfully at BNL since July 2020 to evaluate the key technologies for future tapered CCT magnets. In October 2023, BNL team also measured the persistent current in this demonstrator magnet. To validate the persistent current simulation methods for CCT magnets in EIC, this paper used a full 3D Opera Model and measured magnetization data from superconducting strand for the simulation. Simulation results showed reasonable agreement with recent measurement results.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Numerical integrators for Lagrangian oceanography

Abstract. A common task in Lagrangian oceanography is to calculate a large number of drifter trajectories from a velocity field precalculated with an ocean model. Mathematically, this is simply numerical integration of an ordinary differential equation (ODE), for which a wide range of different methods exist. However, the discrete nature of the modelled ocean currents requires interpolation of the velocity field in both space and time, and the choice of interpolation scheme has implications for the accuracy and efficiency of the different numerical ODE methods. We investigate trajectory calculation in modelled ocean currents with 800 m, 4 km, and 20 km horizontal resolution, in combination with linear, cubic and quintic spline interpolation. We use fixed-step Runge–Kutta integrators of orders 1–4, as well as three variable-step Runge–Kutta methods (Bogacki–Shampine 3(2), Dormand–Prince 5(4) and 8(7)). Additionally, we design and test modified special-purpose variants of the three variable-step integrators, which are better able to handle discontinuous derivatives in an interpolated velocity field. Our results show that the optimal choice of ODE integrator depends on the resolution of the ocean model, the degree of interpolation, and the desired accuracy. For cubic interpolation, the commonly used Dormand–Prince 5(4) is rarely the most efficient choice. We find that in many cases, our special-purpose integrators can improve accuracy by many orders of magnitude over their standard counterparts, with no increase in computational effort. Equivalently, the special-purpose integrators can provide the same accuracy as standard methods at a reduced computational cost. The best results are seen for coarser resolutions (4 and 20 km), thus the special-purpose integrators are particularly advantageous for research using regional to global ocean models to compute large numbers of trajectories. Our results are also applicable to trajectory computations on data from atmospheric models.

58 GEOSCIENCES↗
DOE OSTI2025

PREFACE: A Search for Long-Lived Particles at the Large Hadron Collider

The Standard Model (SM) fails to explain many problems (neutrino masses, dark matter, and matter–antimatter asymmetry, among others) that may be resolved with new particles beyond the SM. No observation of such new particles may be explained either by their exceptionally high mass or by considerably small coupling to SM particles. The latter case implies relatively long lifetimes. Such long-lived particles (LLPs) then to have signatures different from those of SM particles. Searches in the “central region” are covered by the LHC general purpose experiments. The forward small angle region far from the interaction point (IP) is unexplored. Such particles are expected to have the energy as large as E = O(1 TeV) and Lorentz time dilation factor γ = E/m ≈ 10 2 –10 3 (with m the particle mass) hence long enough decay distances. A new class of specialized LHC detectors dedicated to LLP searches has been proposed for the forward regions. Among these experiments, FASER is already operational, and FACET is under consideration at a location 100 m from the LHC IP5 (the CMS detector intersection). However, some features of FACET require a specially enlarged beam pipe, which cannot be implemented for LHC Run 4. In this study, we explore a simplified version of the proposed detector PREFACE compatible with the standard LHC beam pipe in the HL-LHC Run 4. Realistic G EANT 4 simulations are performed and the background is evaluated. An initial analysis of the physics potential with the PREFACE geometry indicates that several significant channels could be accessible with sensitivities comparable to FACET and other LLP searches.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Towards a more complete description of nucleon distortion in lepton-induced single-pion production at low-$Q^2$

Theoretical predictions for lepton-induced single-pion production (SPP) on $^{12}$C are revisited in order to assess the effect of different treatments of the current operator. On one hand we have the asymptotic approximation, which consists in replacing the particle four-vectors that enter in the operator by their asymptotic values, i.e., their values out of the nucleus. On the other hand we have the full calculation, which is a more accurate approach to the problem. We also compare with results in which the final nucleon is described by a relativistic plane wave, to rate the effect of the nucleon distortion. The study is performed for several lepton kinematics, reproducing inclusive and semi-inclusive cross sections belonging to the low-$Q^2$ region (between 0.05 and 1 GeV$^2$), which is of special interest in charged-current (CC) neutrino-nucleus 1$\pi$ production. Inclusive electron results are compared with experimental data. We find non-trivial corrections comparable in size with the effect of the nucleon distortion, namely, corrections up to 6%, either increasing or diminishing the asymptotic prediction, and a shift of the distributions towards higher energy transfer. For the semi-inclusive cross sections, we observe the correction to be prominent mainly at low values of the outgoing nucleon kinetic energy. Finally, for CC neutrino-induced 1$\pi^+$ production, we find a reduction at low-$Q^2$ with respect to both the plane-wave approach and the asymptotic case.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Entanglement island, miracle operators and the firewall

In this paper, we obtain some general results on information retrieval from the black hole interior, based on the recent progress on quantum extremal surface formula and entanglement island. We study an AdS black hole coupled to a bath with generic dynamics, and ask whether it is possible to retrieve information about a small perturbation in the interior from the bath system. We show that the one-norm distance between two reduced states in a bath region A is equal to the same quantity in the bulk quantum field theory for region AI where I is the entanglement island of A. This is a straightforward generalization of bulk-boundary correspondence in AdS/CFT. However, we show that a contradiction arises if we apply this result to a special situation when the bath dynamics includes a unitary operation that carries a particular measurement to a region A and send the result to another region W. Physically, the contradiction arises between transferability of classical information during the measurement, and non-transferability of quantum information which determines the entanglement island. We propose that the resolution of the contradiction is to realize that the state reconstruction formula does not apply to the special situation involving interior-information-retrieving measurements. This implies that the assumption of smooth replica AdS geometry with boundary condition set by the flat space bath has to break down when the particular measurement operator is applied to the bath. Using replica trick, we introduce an explicitly construction of such operator, which we name as “miracle operators”. From this construction we see that the smooth replica geometry assumption breaks down because we have to introduce extra replica wormholes connecting with the “simulated blackholes” introduced by the miracle operator. We study the implication of miracle operators in understanding the firewall paradox.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

A density functional theory and neutron diffraction study of the ambient condition properties of sub-stoichiometric yttrium hydride

Several mechanical and thermophysical properties are required as a function of non-stoichiometry for the successful implementation of YH 2-x for nuclear reactor moderator applications. Density functional theory calculations, in combination with neutron diffraction experiments, were used to study the structural and mechanical properties of YH 2-x . Point defect analysis indicated H occupation primarily at the tetrahedral site within an fcc Y sub-lattice, confirming a fluorite YH 2 structure. The small positive formation energy for H vacancies under Y-rich conditions predicted that hypo-stoichiometry is accommodated by Y+YH 2 at ambient conditions and by H vacancies in the YH 2-x single phase that is relevant to high temperatures. Neutron diffraction studies were used to confirm both the occupation of H on tetrahedral sites and the near-stoichiometric composition of the hydride phase in the two-phase Y+YH 2 region of the phase diagram that dominates at room temperature. Energy minimized special-quasirandom-structures of H vacancies were used to calculate lattice parameters, elastic constants, and several other properties as a function of composition for the single phase YH 2-x . The lattice parameter of YH 2-x decreased by only 0.004 Å with increasing H/Y for the range 1.31 ≤ H / Y ≤ 2.0 indicating a negligible effect on lattice parameters due to vacancy formation. In the two-phase region, however, calculations predicted the density of z Y + ( 1 - z ) Y H 2 - x to increase with decreasing H/Y at lower temperatures due to the increased fraction of high-density Y metal. Additionally, for the high temperature single phase, decreasing H/Y reduced the density as a consequence of the lattice expansion associated with vacancy formation. All elastic constants and moduli increased with increasing hydrogen content in single-phase YH 2-x .

36 MATERIALS SCIENCE↗