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All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Aminopolymer Mobility and Support Interactions in Silica-PEI Composites for CO 2 Capture Applications: A Quasielastic Neutron Scattering Study

Composite gas sorbents, formed from an active polymer phase and a porous support, are promising materials for the separation of acid gases from a variety of gas streams. Significant changes in sorption performance (capacity, rate, stability etc.) can be achieved by tuning the properties of the polymer and the nature of interactions between polymer and support. We utilize quasielastic neutron scattering (QENS) and coarse-grained molecular dynamics (MD) simulations to characterize the dynamic behavior of the most commonly reported polymer in such materials, poly(ethylenimine) (PEI), both in bulk form and when supported in a mesoporous silica framework. The polymer chain dynamics (rotational and translational diffusion) are characterized using two neutron backscattering spectrometers that have overlapping time scales, ranging from picoseconds to a few nanoseconds. Two modes of motion are detected for the PEI molecule in QENS. At low energy transfers, a “slow process” on the time scale of ~200 ps is found and attributed to jump-mediated, center-of-mass diffusion. Second, a “fast process” at ~20 ps scale is also found and is attributed to a locally confined, jump-diffusion. Characteristic data (time scale and spectral weight) of these processes are compared to those characterized by MD, and reasonable agreement is found. For the nanopore-confined PEI, we observe a significant reduction in the time scale of polymer motion as compared to the bulk. The impacts of silica surface functionalization and of polymer fill fraction in the silica pores (controlling the portion of polymer molecules in contact with the pore walls), are both studied in detail. Hydrophobic functionalization of the silica leads to an increase of the PEI mobility above that in native silanol-terminated silica, but the dynamics are still slower than those in bulk PEI. Sorbents with faster PEI dynamics are also found to be more efficient for CO 2 capture, possibly because sorption sites are more accessible than those in systems with slower PEI dynamics. Therefore, this work supports the existence of a link between the affinity of the support for PEI and the accessibility of active sorbent functional groups.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Non-gaussian shape recognition

A detection of primordial non-Gaussianity could transform our understanding of the fundamental theory of inflation. The precision promised by upcoming cosmic microwave background (CMB) and large-scale structure (LSS) surveys raises a natural question: if a detection given a particular template is made, what does this truly tell us about the underlying theory? Even in the case of non-detections and upper bounds on deviations from Gaussianity, what can we then infer about the viable theories that remain? In this paper we present a systematic way to constrain a wide range of non-Gaussian shapes, including general single and multi-field models and models with excited initial states. We present a separable, divergent basis able to recreate many shapes in the literature to high accuracy with between three and seven basis functions. The basis allows shapes to be grouped into broad ''template classes'', satisfying theoretically-relevant priors on their divergence properties in the squeezed limit. We forecast how well a Planck-like CMB survey could not only detect a general non-Gaussian signal but discern more about its shape, using existing templates and new ones we propose. This approach offers an opportunity to tie together minimal theoretical priors with observational constraints on the shape in general, and in the squeezed limit, to gain a deeper insight into what drove inflation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Estimating the energy threshold of phonon-mediated superconducting qubit detectors operated in an energy-relaxation sensing scheme

In recent years, the lack of a conclusive detection of weakly interacting massive particle dark matter at the 10 GeV/c 2 mass scale and above has encouraged development of low-threshold detector technology aimed at probing lighter dark matter candidates. Detectors based on Cooper-pair-breaking sensors have emerged as a promising avenue for this detection due to the low (meV-scale) energy required for breaking a Cooper pair in most superconductors. Among them, devices based on superconducting qubits are interesting candidates for sensing due to their observed sensitivity to broken Cooper pairs. Here, we have developed an end-to-end G 4 CMP -based simulation framework and have used it to evaluate performance metrics of qubit-based devices operating in a gate-based “energy relaxation” readout scheme, akin to those used in recent studies of qubit sensitivity to ionizing radiation. We find that for this readout scheme, the qubit acts as a phonon sensor with an energy threshold ranging down to ≃ 0.4 eV for near-term performance parameters.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

First Star-Forming Structures in Fuzzy Cosmic Filaments

In hierarchical models of structure formation, the first galaxies form in low-mass dark matter potential wells, probing the behavior of dark matter on kiloparsec scales. Even though these objects are below the detection threshold of current telescopes, future missions will open an observational window into this emergent world. In this Letter, we investigate how the first galaxies are assembled in a “fuzzy” dark matter (FDM) cosmology where dark matter is an ultralight ~10 –22 eV boson and the primordial stars are expected to form along dense dark matter filaments. Furthermore, using a first-of-its-kind cosmological hydrodynamical simulation, we explore the interplay between baryonic physics and unique wavelike features inherent to FDM. In our simulation, the dark matter filaments show coherent interference patterns on the boson de Broglie scale and develop cylindrical solitonlike cores, which are unstable under gravity and collapse into kiloparsec-scale spherical solitons. Features of the dark matter distribution are largely unaffected by the baryonic feedback. On the contrary, the distributions of gas and stars, which do form along the entire filament, exhibit central cores imprinted by dark matter—a smoking gun signature of FDM.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Terrestrial Very-Long-Baseline Atom Interferometry: Workshop Summary

This document presents a summary of the 2023 Terrestrial Very-Long-Baseline Atom Interferometry Workshop hosted by CERN. The workshop brought together experts from around the world to discuss the exciting developments in large-scale atom interferometer (AI) prototypes and their potential for detecting ultralight dark matter and gravitational waves. The primary objective of the workshop was to lay the groundwork for an international TVLBAI proto-collaboration. This collaboration aims to unite researchers from different institutions to strategize and secure funding for terrestrial large-scale AI projects. The ultimate goal is to create a roadmap detailing the design and technology choices for one or more km-scale detectors, which will be operational in the mid-2030s. The key sections of this report present the physics case and technical challenges, together with a comprehensive overview of the discussions at the workshop together with the main conclusions.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1996

Adaptive grid methods for RLV environment assessment and nozzle analysis

Rapid access to highly accurate data about complex configurations is needed for multi-disciplinary optimization and design. In order to efficiently meet these requirements a closer coupling between the analysis algorithms and the discretization process is needed. In some cases, such as free surface, temporally varying geometries, and fluid structure interaction, the need is unavoidable. In other cases the need is to rapidly generate and modify high quality grids. Techniques such as unstructured and/or solution-adaptive methods can be used to speed the grid generation process and to automatically cluster mesh points in regions of interest. Global features of the flow can be significantly affected by isolated regions of inadequately resolved flow. These regions may not exhibit high gradients and can be difficult to detect. Thus excessive resolution in certain regions does not necessarily increase the accuracy of the overall solution. Several approaches have been employed for both structured and unstructured grid adaption. The most widely used involve grid point redistribution, local grid point enrichment/derefinement or local modification of the actual flow solver. However, the success of any one of these methods ultimately depends on the feature detection algorithm used to determine solution domain regions which require a fine mesh for their accurate representation. Typically, weight functions are constructed to mimic the local truncation error and may require substantial user input. Most problems of engineering interest involve multi-block grids and widely disparate length scales. Hence, it is desirable that the adaptive grid feature detection algorithm be developed to recognize flow structures of different type as well as differing intensity, and adequately address scaling and normalization across blocks. These weight functions can then be used to construct blending functions for algebraic redistribution, interpolation functions for unstructured grid generation, forcing functions to attract/repel points in an elliptic system, or to trigger local refinement, based upon application of an equidistribution principle. The popularity of solution-adaptive techniques is growing in tandem with unstructured methods. The difficultly of precisely controlling mesh densities and orientations with current unstructured grid generation systems has driven the use of solution-adaptive meshing. Use of derivatives of density or pressure are widely used for construction of such weight functions, and have been proven very successful for inviscid flows with shocks. However, less success has been realized for flowfields with viscous layers, vortices or shocks of disparate strength. It is difficult to maintain the appropriate mesh point spacing in the various regions which require a fine spacing for adequate resolution. Mesh points often migrate from important regions due to refinement of dominant features. An example of this is the well know tendency of adaptive methods to increase the resolution of shocks in the flowfield around airfoils, but in the incorrect location due to inadequate resolution of the stagnation region. This problem has been the motivation for this research.

Thornburg, Hugh J.↗
DOE OSTI2018

Reactor design and integration with product detection to accelerate screening of electrocatalysts for carbon dioxide reduction

Identifying new catalyst materials for complex reactions such as the electrochemical reduction of CO 2 poses substantial instrumentation challenges due to the need to integrate reactor control with electrochemical and analytical instrumentation. Performing accelerated screening to enable exploration of a broad span of catalyst materials poses additional challenges due to the long time scales associated with accumulation of reaction products and the detection of the reaction products with traditional separation-based analytical methods. The catalyst screening techniques that have been reported for combinatorial studies of (photo)electrocatalysts do not meet the needs of CO 2 reduction catalyst research, prompting our development of a new electrochemical cell design and its integration to gas and liquid chromatography instruments. To enable rapid chromatography measurements while maintaining sensitivity to minor products, the electrochemical cell features low electrolyte and head space volumes compared to the catalyst surface area. Additionally, the cell is operated as a batch reactor with electrolyte recirculation to rapidly concentrate reaction products, which serves the present needs for rapidly detecting minor products and has additional implications for enabling product separations in industrial CO 2 electrolysis systems. To maintain near-saturation of CO 2 in aqueous electrolytes, we employ electrolyte nebulization through a CO 2 -rich headspace, achieving similar gas-liquid equilibration as vigorous CO 2 bubbling but without gas flow. The instrument is demonstrated with a series of electrochemical experiments on an Au-Pd combinatorial library, revealing non-monotonic variations in product distribution with respect to catalyst composition. The highly integrated analytical electrochemistry system is engineered to enable automation for rapid catalyst screening as well as deployment for a broad range of electrochemical reactions where product distribution is critical to the assessment of catalyst performance.

47 OTHER INSTRUMENTATION↗
DOE OSTI2016

Gravitational waves at interferometer scales and primordial black holes in axion inflation

We study the prospects of detection at terrestrial and space interferometers, as well as at pulsar timing array experiments, of a stochastic gravitational wave background which can be produced in models of axion inflation. This potential signal, and the development of these experiments, open a new window on inflation on scales much smaller than those currently probed with Cosmic Microwave Background and Large Scale Structure measurements. The sourced signal generated in axion inflation is an ideal candidate for such searches, since it naturally grows at small scales, and it has specific properties (chirality and non-gaussianity) that can distinguish it from an astrophysical background. We study under which conditions such a signal can be produced at an observable level, without the simultaneous overproduction of scalar perturbations in excess of what is allowed by the primordial black hole limits. We also explore the possibility that scalar perturbations generated in a modified version of this model may provide a distribution of primordial black holes compatible with the current bounds, that can act as a seeds of the present black holes in the universe.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Leveraging Quantum Sensors for Dark Matter Detection

Recent measurements have demonstrated that superconducting qubit decoherence is affected by radiation. As a result, many groups around the world are working to better understand the relationship between different types of radiation and qubit response. This crucial to quantum error correction because radiation can cause correlated loss of information across multiple qubits on a chip, defeating error correction algorithms. Additionally, the fundamental energy scale at which superconducting qubits operate may enable their development as meV-scale detectors for HEP applications, such as the direct detection of dark matter. At Fermilab, we have two world-class underground facilities which are already being used to study this problem: NEXUS and QUIET. I will present on results from operating superconducting qubits in each of these facilities, and the potential implications towards utilizing qubits as sensors for a novel dark matter detector.

Baxter, Daniel [Texas U., Arlington]↗
DOE OSTI2026

Leveraging Quantum Sensors for Dark Matter Detection

Recent measurements have demonstrated that superconducting qubit decoherence is affected by radiation. As a result, many groups around the world are working to better understand the relationship between different types of radiation and qubit response. This crucial to quantum error correction because radiation can cause correlated loss of information across multiple qubits on a chip, defeating error correction algorithms. Additionally, the fundamental energy scale at which superconducting qubits operate may enable their development as meV-scale detectors for HEP applications, such as the direct detection of dark matter. At Fermilab, we have two world-class underground facilities which are already being used to study this problem: NEXUS and QUIET. I will present on results from operating superconducting qubits in each of these facilities, and the potential implications towards utilizing qubits as sensors for a novel dark matter detector.

Baxter, Daniel [Texas U., Arlington]↗
DOE OSTI2013

Novel Probes of Gravity and Dark Energy

The discovery of cosmic acceleration has stimulated theorists to consider dark energy or modifications to Einstein's General Relativity as possible explanations. The last decade has seen advances in theories that go beyond smooth dark energy -- modified gravity and interactions of dark energy. While the theoretical terrain is being actively explored, the generic presence of fifth forces and dark sector couplings suggests a set of distinct observational signatures. This report focuses on observations that differ from the conventional probes that map the expansion history or large-scale structure. Examples of such novel probes are: detection of scalar fields via lab experiments, tests of modified gravity using stars and galaxies in the nearby universe, comparison of lensing and dynamical masses of galaxies and clusters, and the measurements of fundamental constants at high redshift. The observational expertise involved is very broad as it spans laboratory experiments, high resolution astronomical imaging and spectroscopy and radio observations. In the coming decade, searches for these effects have the potential for discovering fundamental new physics. We discuss how the searches can be carried out using experiments that are already under way or with modest adaptations of existing telescopes or planned experiments. The accompanying paper on the Growth of Cosmic Structure describes complementary tests of gravity with observations of large-scale structure.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2001

The Detection of Circumnuclear X-Ray Emission from the Seyfert Galaxy NGC 3516

We present the first high-resolution, X-ray image of the circumnuclear regions of the Seyfert 1 galaxy NGC 3516, using the Chandra X-ray Observatory (CXO). All three of the CXO observations reported were performed with one of the two grating assemblies in place, and here we restrict our analysis to undispersed photons (i.e. those detected in the zeroth-order). A previously-unknown X-ray source is detected approximately 6 arcsec (1.1h(sub 75)(exp -1) kpc) NNE of the nucleus (position angle approximately 29 degrees) which we designate CXOU 110648.1 + 723412. Its spectrum can be characterized as a power law with a photon index (Gamma) approximately 1.8 - 2.6, or as thermal emission with a temperature kT approximately 0.7 - 3 keV. Assuming a location within NGC 3516, isotropic emission implies a luminosity L approximately 2 - 8 x 10(exp 39)h(sub 75)(exp-2) erg s(exp -1) in the 0.4 - 2 keV band. If due to a single point source, the object is super-Eddington for a 1.4 solar mass neutron star. However, multiple sources or a small, extended source cannot be excluded using the current data. Large-scale extended S-ray emission is also detected out to approximately 10 arcsec (approximately 2h(sub 75)(exp -1) kpc) from the nucleus to the NE and SW, and is approximately aligned with the morphologies of the radio emission and extended narrow emission line region (ENLR). The mean luminosity of this emission is 1 - 5 x 10(exp 37)h(sub 75)(exp -2) erg s(exp -1) arcsec(exp -2), in the 0.4 - 2 keV band. Unfortunately the current data cannot usefully constrain its spectrum. These results are consistent with earlier suggestions of circumnuclear X-ray emissi in NGC 3516 based on ROSAT observations, and thus provide the first clear detection of extended X-ray emission in a Seyfert 1.0 galaxy. If the extended emission is due to scattering of the nuclear X-ray continuum, then the pressure in the X-ray emitting gas is at least two orders of magnitude too small to provide the confining medium for the ENLR clouds.

George, I. M.↗
DOE OSTI2019

Application of Deep Learning on Integrating Prediction, Provenance, and Optimization

In this research, we investigated two approaches to detect job anoma- lies and/or contention for large scale computing efforts: 1. Preemptive job scheduling using binomial classification long short-term memory networks 2. Forecasting intra-node computing loads from the active jobs and addi- tional job(s) For approach 1, we achieved a 14% improvement in computational resources utilization and an overall classification accuracy of 85% on real tasks executed in a High Energy Physics computing workflow. For this paper, we present the preliminary results used in second approach.

Anomaly Detection, Belle II Computing, data proven↗
DOE OSTI2015

Wind turbine blade shear web disbond detection using rotor blade operational sensing and data analysis

A wind turbine blade's structural dynamic response is simulated and analyzed with the goal of characterizing the presence and severity of a shear web disbond. Computer models of a 5 MW offshore utility-scale wind turbine were created to develop effective algorithms for detecting such damage. Through data analysis and with the use of blade measurements, a shear web disbond was quantified according to its length. An aerodynamic sensitivity study was conducted to ensure robustness of the detection algorithms. In all analyses, the blade's flap-wise acceleration and root-pitching moment were the clearest indicators of the presence and severity of a shear web disbond. A combination of blade and non-blade measurements was formulated into a final algorithm for the detection and quantification of the disbond. Here, the probability of detection was 100% for the optimized wind speed ranges in laminar, 30% horizontal shear and 60% horizontal shear conditions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Precision Kinematic Sunyaev--Zel'dovich Measurements Across Halo Mass and Redshift with DESI DR2 and ACT DR6: Part I. Luminous Red Galaxies

We present the most precise measurements of the kinetic Sunyaev-Zel'dovich (kSZ) effect around luminous red galaxies to date, detecting the signal at $18σ$ significance in both harmonic and configuration space. Our analysis cross-correlates 2.4 million spectroscopic LRGs from the Dark Energy Spectroscopic Instrument (DESI) DR2 sample with Data Release 6 (DR6) of the Atacama Cosmology Telescope (ACT). We develop a novel harmonic-space cross-correlation approach using momentum-weighted kSZ templates, yielding nearly uncorrelated bandpowers within a framework consistent with other large-scale structure analyses. By incorporating the LRG halo occupation distribution (HOD) and its uncertainty, we convert measured galaxy gas profiles into halo gas profiles and provide generalized Navarro-Frenk-White (GNFW) fitting profiles, providing empirical targets for tuning feedback efficiency in hydrodynamical simulations and for baryonic modeling in large-scale structure analyses. We find strong evidence that gas profiles do not trace dark matter, providing direct evidence for gas redistribution beyond gravitational collapse. Comparing to hydrodynamical simulations, our measurements favor feedback efficiencies exceeding those in the Battaglia profile, suggesting more efficient gas ejection in group-scale halos than previously predicted. Splitting by redshift, we detect the kSZ signal at SNR $\approx 5$--$10$ in each of four bins and find amplitude evolution consistent with the expected decline in mean halo mass at fixed comoving number density. Splitting by stellar mass, we study the scaling of kSZ amplitude with galaxy properties. Together with BGS and ELG measurements in Paper II, these results span $0.1 \lesssim z \lesssim 1.6$ across three galaxy populations, demonstrating the potential of spectroscopic kSZ to map circumgalactic gas and constrain baryonic feedback.

Qu, F. J. [KIPAC, Menlo Park; Stanford U., HEPL; S↗
DOE OSTI2025

Casing Annulus Monitoring of CO 2 Injection Using Wireless Autonomous Distributed Sensor Networks

Effective and secure carbon subsurface storage, involving the deep underground injection of CO 2 into geological formations where it is permanently trapped, is paramount to mitigating CO 2 emissions (Figure I). Ensuring the integrity of these storage sites and detecting potential leakage through the casing annulus necessitates robust monitoring. This work provides the first integrated demonstration of a wireless casing-annulus monitoring architecture that can operate in highly attenuating cement-brine environments relevant to CO 2 storage. This project focused on developing and validating a novel sensor system for integration with autonomous monitoring near the cement reservoir interface. The goal was a fully integrated Technology Readiness Level (TRL) 4/5 field validation of a distributed wireless intelligent sensor system providing real-time, direct subsurface formation measurements to enhance fluid movement monitoring in the cemented casing annulus. Achieving this objective required the development and integration of 1) wireless autonomous microsensor technology by California Institute of Technology (Caltech); 2) sensor packaging and emplacement technology by Research Triangle Institute (RTI); and 3) smart well completions using wireless active casing collars and NOV pipe by the Sandia National Lab (SNL). The collaboration with the Caltech team in this project aimed to develop millimeter-scale radio frequency identification (RFID) sensors capable of detecting CO 2 , pH, and/or methane levels. These sensors are engineered to be impervious to fluids, allowing them to be mixed with cement and installed within the casing annulus. They operate using RFID protocols at frequencies of 902–928 MHz for both power and communication. A Sandia National Laboratories’ team engaged their expertise in the development of a Smart Collar system designed for the wireless data collection from these RFID sensors embedded in the cement annulus and transmission of this information to the ground surface via IntelliPipe/IntelliServ NOV drill pipe. This is accomplished through inductive coupling at the collar, which facilitates data transfer through each segment of the pipe. Because the system cannot transmit a direct current signal to power the Smart Collar, both power and communication were implemented using alternating current and electromagnetic signals at varying frequencies. Furthermore, the developed microsensor technology had to be demonstrated and validated in comparison with reference transducer measurements in a field test site at The University of Texas at Austin (UT-Austin). Although the full sensor suite did not reach field-deployment readiness, the system-level integration achieved in this project establishes a validated pathway for future incorporation of advanced microsensors.

47 OTHER INSTRUMENTATION↗
DOE OSTI2014

Spectral line survey toward the spiral arm of M51 in the 3 and 2 mm bands

We have conducted a spectral line survey in the 3 and 2 mm bands toward two positions in a spiral arm of M51 (NGC 5194) with the Institut de Radioastronomie Millimétrique 30 m telescope. In this survey, we have identified 13 molecular species, including CN, CCH, N{sub 2}H{sup +}, HNCO, and CH{sub 3}OH. Furthermore, six isotopologues of the major species have been detected. On the other hand, SiO, HC{sub 3}N, CH{sub 3}CN, and deuterated species such as DCN and DCO{sup +} were not detected. The deuterium fractionation ratios are evaluated to be less than 0.8% and 1.2% for DCN/HCN and DCO{sup +}/HCO{sup +}, respectively. By comparing the results of the two positions with different star formation activities, we have found that the observed chemical compositions do not strongly depend on star formation activities. They seem to reflect a chemical composition averaged over the 1 kpc scale region including many giant molecular clouds. Among the detected molecules CN, CCH, and CH{sub 3}OH are found to be abundant. High abundances of CN and CCH are consistent with the above picture of a widespread distribution of molecules because they can be produced by photodissociation. On the other hand, it seems likely that CH{sub 3}OH is liberated in the gas phase by shocks associated with large-scale phenomena such as cloud-cloud collisions and/or by nonthermal desorption processes such as photoevaporation due to cosmic-ray-induced UV photons. The present result demonstrates a characteristic chemical composition of a giant molecular cloud complex in the spiral arm, which can be used as a standard reference for studying chemistry in active galactic nuclei and starbursts.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Thickness dependence of La 0.7 Sr 0.3 MnO 3 /PbZr 0.2 Ti 0.8 O 3 magnetoelectric interfaces

Magnetoelectric materials have great potential to revolutionize electronic devices due to the coupling of their electric and magnetic properties. Thickness varying La 0.7 Sr 0.3 MnO 3 (LSMO)/PbZr 0.2 Ti 0.8 O 3 (PZT) heterostructures were built and measured in this article by valence sensitive x-ray absorption spectroscopy. The sizing effects of the heterostructures on the LSMO/PZT magnetoelectric interfaces were investigated through the behavior of Mn valence, a property associated with the LSMO magnetization. Here, we found that Mn valence increases with both LSMO and PZT thickness. Piezoresponse force microscopy revealed a transition from monodomain to polydomain structure along the PZT thickness gradient. The ferroelectric surface charge may change with domain structure and its effects on Mn valence were simulated using a two-orbital double-exchange model. The screening of ferroelectric surface charge increases the electron charges in the interface region, and greatly changes the interfacial Mn valence, which likely plays a leading role in the interfacial magnetoelectric coupling. The LSMO thickness dependence was examined through the combination of two detection modes with drastically different attenuation depths. The different length scales of these techniques' sensitivity to the atomic valence were used to estimate the depth dependence Mn valence. Finally, a smaller interfacial Mn valence than the bulk was found by globally fitting the experimental results.

36 MATERIALS SCIENCE↗