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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Partial Wave Analysis of the omega pi^- Final State Photoproduced at GlueX

The meson has traditionally been understood as the bound state of a quark and an anti-quark, but there is experimental evidence for exotic meson states, which have properties that cannot be produced by this quark-antiquark model. One candidate for such exotic systems is hybrid meson, predicted by lattice QCD, which includes gluonicexcitation in its wavefunction. One of the prominent decay modes of the lightest predicted exotic hybrid is expected to be b1pi. THis dissertation presernts an analysis of the gamma rho -> omega pi- Delta ++ channel produced at the GlueX experiment, in the mass range where the b1(1235) meson is prominent. An amplitude analysis is performed on the decay of the omega pi- system, in order to extract the resonance parameters of the b-1, as well as analyze the resonant and non-resonant background.

Schertz, Amy↗
DOE OSTI2026

Reviving sub-keV warm dark matter: a UVLF-based analysis

Thermal warm dark matter (WDM) particles with m WDM ≤ 1 keV are ruled out at more than 4σ by multiple observational probes, owing to the strong suppression of small-scale structure induced by early-time free-streaming. Recently, it was highlighted that a small admixture of ∼ 1% (f CDM ∼ 0.01) cold dark matter (CDM) endowed with a blue-tilted isocurvature spectrum could offset the WDM-induced suppression and relax the WDM mass bound by a factor of 𝒪(10). If viable, this “warm + cold-isocurvature” scenario would allow sub-keV WDM particles to constitute nearly the full dark matter abundance while potentially alleviating some small-scale tensions. In this work, we test this mechanism by constraining the WDM mass mWDM while marginalizing over CDM isocurvature parameters. We combine ultraviolet luminosity function measurements from the Hubble Space Telescope and James Webb Space Telescope over redshift 4 ≤ z ≤ 11 with CMB, BAO, and SNe data. For a pure WDM model, our joint analysis yields a lower bound m WDM > 1.8 keV (95% credible intervals). When CDM isocurvature is introduced at f CDM = 0.01, the limit relaxes to m WDM > 0.27 keV (95% credible intervals), reflecting a shallow degeneracy in which blue-tilted isocurvature fluctuations partially compensate for WDM suppression. These results provide new constraints on thermal WDM in the presence of CDM isocurvature fluctuations and quantify the extent to which such fluctuations can mask the small-scale signatures of light relics.

cosmological parameters from CMBR↗
DOE OSTI2025

Data-driven upper bounds and event attribution for unprecedented heatwaves

The last decade has seen numerous record-shattering heatwaves in all corners of the globe. In the aftermath of these devastating events, there is interest in identifying worst-case thresholds or upper bounds that quantify just how hot temperatures can become. Generalized Extreme Value theory provides a data-driven estimate of extreme thresholds; however, upper bounds may be exceeded by future events, which undermines attribution and planning for heatwave impacts. Here, we show how the occurrence and relative probability of observed yet unprecedented events that exceed a priori upper bound estimates, so-called “impossible” temperatures, has changed over time. We find that many unprecedented events are actually within data-driven upper bounds, but only when using modern spatial statistical methods. Furthermore, there are clear connections between anthropogenic forcing and the “impossibility” of the most extreme temperatures. Robust understanding of heatwave thresholds provides critical information about future record-breaking events and how their extremity relates to historical measurements.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Exact hopfion vortices in a 3D Heisenberg ferromagnet

Here, we find exact static soliton solutions for the unit spin vector field of an inhomogeneous, anisotropic three-dimensional Heisenberg ferromagnet. Each soliton is labeled by two integers n and m. It is a (modified) skyrmion in the z = 0 plane with winding number n, which twists out of the plane m times in the z-direction to become a 3D soliton. Here m arises due to the periodic boundary condition at the z-boundaries. We use Whitehead’s integral expression to find that the Hopf invariant of the soliton is an integer H = nm. It represents a hopfion vortex. Plots of the preimages of this topological soliton show that they are either unknots or nontrivial knots, depending on n and m. Any pair of preimage curves links H times, corroborating the interpretation of H as a linking number. We also calculate the exact energy of the hopfion vortex, and show that its topological lower bound has a sublinear dependence on H. Using Derrick’s scaling analysis, we demonstrate that the presence of a spatial inhomogeneity in the anisotropic interaction, which in turn introduces a characteristic length scale in the system, leads to the stability of the hopfion vortex.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Structural and functional characterization of NEMO cleavage by SARS-CoV-2 3CLpro

Abstract In addition to its essential role in viral polyprotein processing, the SARS-CoV-2 3C-like protease (3CLpro) can cleave human immune signaling proteins, like NF-κB Essential Modulator (NEMO) and deregulate the host immune response. Here, in vitro assays show that SARS-CoV-2 3CLpro cleaves NEMO with fine-tuned efficiency. Analysis of the 2.50 Å resolution crystal structure of 3CLpro C145S bound to NEMO 226–234 reveals subsites that tolerate a range of viral and host substrates through main chain hydrogen bonds while also enforcing specificity using side chain hydrogen bonds and hydrophobic contacts. Machine learning- and physics-based computational methods predict that variation in key binding residues of 3CLpro-NEMO helps explain the high fitness of SARS-CoV-2 in humans. We posit that cleavage of NEMO is an important piece of information to be accounted for, in the pathology of COVID-19.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Error Bounds for Dynamical Spectral Estimation

Dynamical spectral estimation is a well-established numerical approach for estimating eigenvalues and eigenfunctions of the Markov transition operator from trajectory data. Although the approach has been widely applied in biomolecular simulations, its error properties remain poorly understood. Here we analyze the error of a dynamical spectral estimation method called “the variational approach to conformational dynamics" (VAC). We bound the approximation error and estimation error for VAC estimates. Our analysis establishes VAC's convergence properties and suggests new strategies for tuning VAC to improve accuracy.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Carbon Capture, Transport, & Storage: Supply Chain Deep Dive Assessment (Final Report)

The report “America’s Strategy to Secure the Supply Chain for a Robust Clean Energy Transition” lays out the challenges and opportunities faced by the United States in the energy supply chain as well as the federal government plans to address these challenges and opportunities. It is accompanied by several issue-specific deep dive assessments, including this one, in response to Executive Order 14017 “America’s Supply Chains,” which directs the Secretary of Energy to submit a report on supply chains for the energy sector industrial base. The Executive Order is helping the federal government to build more secure and diverse U.S. supply chains, including energy supply chains. This report was completed by the Department of Energy (DOE) to examine carbon dioxide (CO 2 ) capture, transport, and storage technologies and associated supply chains that will be required to support the United States (U.S.) decarbonization goals by 2050. Specifically, the analysis sought to understand supply chain bottlenecks to achievingan upper-bound 2.0 gigatonnes (Gt) of CO 2 capture and storage (CCS) per year in the United States. A literature review shows that in aggressive infrastructure deployment scenarios, the United States’ likely upper bound of CCS capacity is 1.7 Gigatons per annum (Gtpa) by 2050. This suggests the study design of 2.0 Gtpa capacity by 2050 is more aggressive yet and represents a conservative upper bound for supply chain analyses.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

Equipment Qualification Report Environmental Qualification of GNB Absolyte Valve Regulated Lead Acid (VRLA) 1600 Ah100G33 Battery Rack Assembly (24590-QL-POA-EDB0-00001-11-00002_00A)

Greenberry Environmental Qualification Report 550001.001-35.0.5 provides basis for assignment of qualified life for: GNB Absolyte Valve Regulated Lead Acid (VRLA) 1600 Ah 100G33 Battery Rack Assembly in accordance with the requirements specified 24590-WTP-3PS-G000-T0015 (Rev 2) and Environmental Qualification Plan 550001.001-35.0.1 (Rev. 3). The equipment qualification basis represents the most conservative capability of the equipment. The analysis performed for the qualification is not less conservative than the bounding environmental conditions detailed in contract documents issued to Greenberry in contract 24509-QL-POA-EDB0-00001 Rev.0. The qualified life of 10 years has been established based upon an end-condition objective of the equipment condition indicators that correlate to the ability of equipment to perform its safety function. The VRLA Battery Cell Assembly was aged by 10 years (minimum) in accordance with conditions specified by Bechtel Equipment Qualification Datasheet 24590-LAW-EUQ-UPE 00003 Rev. 3 and the process conditions specified by the Instrument Data Sheet 24590-LAW EUD-UPE-00009 Rev. 2. Greenberry Industrial has contracted with GNB Industrial Battery Co located at 4115 S Zero St, Fort Smith, AR 72908 to perform age conditioning, monitoring, and capacity testing in accordance with Environmental Qualification Plan 550001.001-35.0.1 Rev. 1. The required process at the stated conditions set by the parameters established by the plan were completed satisfactorily. The details of the of the test process observed by Greenberry is detailed in the attached Seismic Test Log 550001.001-7.0.3, including examples of the objective evidence collected during the qualification process.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Efficient Space–Time Reduced Order Model for Linear Dynamical Systems in Python Using Less than 120 Lines of Code

A classical reduced order model (ROM) for dynamical problems typically involves only the spatial reduction of a given problem. Recently, a novel space–time ROM for linear dynamical problems has been developed [Choi et al., Space–tume reduced order model for large-scale linear dynamical systems with application to Boltzmann transport problems, Journal of Computational Physics, 2020], which further reduces the problem size by introducing a temporal reduction in addition to a spatial reduction without much loss in accuracy. The authors show an order of a thousand speed-up with a relative error of less than 10−5 for a large-scale Boltzmann transport problem. In this work, we present for the first time the derivation of the space–time least-squares Petrov–Galerkin (LSPG) projection for linear dynamical systems and its corresponding block structures. Utilizing these block structures, we demonstrate the ease of construction of the space–time ROM method with two model problems: 2D diffusion and 2D convection diffusion, with and without a linear source term. For each problem, we demonstrate the entire process of generating the full order model (FOM) data, constructing the space–time ROM, and predicting the reduced-order solutions, all in less than 120 lines of Python code. We compare our LSPG method with the traditional Galerkin method and show that the space–time ROMs can achieve O(10−3) to O(10−4) relative errors for these problems. Depending on parameter–separability, online speed-ups may or may not be achieved. For the FOMs with parameter–separability, the space–time ROMs can achieve O(10) online speed-ups. Finally, we present an error analysis for the space–time LSPG projection and derive an error bound, which shows an improvement compared to traditional spatial Galerkin ROM methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

MADHAT: Model-Agnostic Dark Halo Analysis Tool

We present the Model-Agnostic Dark Halo Analysis Tool (MADHAT), a numerical tool which implements a Fermi-LAT data-driven, model-independent analysis of gamma-ray emission from dwarf satellite galaxies and dwarf galaxy candidates due to dark matter annihilation, dark matter decay, or other nonstandard or unknown astrophysics. This tool efficiently provides statistical upper bounds on the number of observed photons in excess of the number expected, based on empirical determinations of foregrounds and backgrounds, using a stacked analysis of any selected set of dwarf targets. It also calculates the resulting bounds on the properties of dark matter under any assumptions the user makes regarding dark sector particle physics or astrophysics. As an application, we determine new bounds on Sommerfeld-enhanced dark matter annihilation in a set of eight dwarfs. MADHAT v1.0 includes 58 dwarfs and dwarf candidate targets, and we discuss future planned developments. MADHAT is available and will be maintained at https://github.com/MADHATdm.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Tighter reformulations using classical Dawson and Sankoff bounds for approximating two-stage chance-constrained programs

We extend and improve recent results given by Singh and Watson on using classical bounds on the union of sets in a chance-constrained optimization problem. Specifically, we revisit the so-called Dawson and Sankoff bound that provided one of the best approximations of a chance constraint in the previous analysis. Next, we show that our work is a generalization of the previous work, and in fact the inequality employed previously is a very relaxed approximation with assumptions that do not generally hold. Computational results demonstrate on average over a 43% improvement in the bounds. As a byproduct, we provide an exact reformulation of the floor function in optimization models.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Analysis of the SiMPL Method for Density-Based Topology Optimization

We present a rigorous convergence analysis of a new method for density-based topology optimization that provides pointwise bound-preserving design updates and faster convergence than other popular first-order topology optimization methods. Due to its strong bound preservation, the method is exceptionally robust, as demonstrated in numerous examples here and in the companion article [D. Kim et al., Struct. Multidiscip. Optim., 68 (2025), 74]. Furthermore, it is easy to implement with clear structure and analytical expressions for the updates. Our analysis covers two versions of the method, characterized by the employed line search strategies. We consider a modified Armijo backtracking line search and a Bregman backtracking line search. For both line search algorithms, our algorithm delivers a strict monotone decrease in the objective function and further intuitive convergence properties, e.g., strong and pointwise convergence of the density variables on the active sets, norm convergence to zero of the increments, convergence of the Lagrange multipliers, and more. In addition, the numerical experiments demonstrate apparent mesh-independent convergence of the algorithm. Here, we refer to the new algorithm as the SiMPL method (pronounced “simple”), which stands for Sigmoidal Mirror descent with a Projected Latent variable.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Causality, unitarity and symmetry in effective field theory

Sum rules in effective field theories, predicated upon causality, place restrictions on scattering amplitudes mediated by effective contact interactions. Through unitarity of the S -matrix, these imply that the size of higher dimensional corrections to transition amplitudes between different states is bounded by the strength of their contributions to elastic forward scattering processes. This places fundamental limits on the extent to which hypothetical symmetries can be broken by effective interactions. All analysis is for dimension 8 operators in the forward limit. Included is a thorough derivation of all positivity bounds for a chiral fermion in SU(2) and SU(3) global symmetry representations resembling those of the Standard Model, general bounds on flavour violation, new bounds for interactions between particles of different spin, inclusion of loops of dimension 6 operators and illustration of the resulting strengthening of positivity bounds over tree-level expectations, a catalogue of supersymmetric effective interactions up to mass dimension 8 and 4 legs and the demonstration that supersymmetry unifies the positivity theorems as well as the new bounds.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

CEAZ: Accelerating Parallel I/O Via Hardware-Algorithm Co-Designed Adaptive Lossy Compression

As supercomputers continue to grow to exa-scale, the amount of data that needs to be saved or transmitted is exploding. To this end, many previous works have studied using error-bounded lossy compressors to reduce the data size and improve the I/O performance. However, little work has been done for effectively offloading lossy compression onto FPGA-based SmartNICs to reduce the compression overhead. In this paper, we propose a hardware-algorithm co-design of efficient and adaptive lossy compressor for scientific data on FPGAs (called CEAZ) to accelerate parallel I/O. Our contribution is fourfold: (1) We propose an efficient Huffman coding approach that can adaptively update Huffman codewords online based on codewords generated offline (from a variety of representative scientific datasets). (2) We derive a theoretical analysis to support a precise control of compression ratio under an error-bounded compression mode, enabling accurate offline Huffman codewords generation. This also help us create a fixed-ratio compression mode for consistent throughput. (3) We develop an efficient compression pipeline by adopting cuSZ’s dual-quantization algorithm to our hardware use case. (4) We evaluate CEAC on five real-world datasets with both a single FPGA board and 256 nodes from Bridges2 supercomputer. Experiments show that CEAZ outperforms the second-best FPGA-based lossy compressor by 2× of throughput and 9.6× of compression ratio. It also improves MPI_File_write and MPI_Gather throughputs by up to 32.7× and 31.4×, respectively.

Zhang, Chengming↗
DOE OSTI2024

Ameloblastin binding to biomimetic models of cell membranes – A continuum of intrinsic disorder

A 37-residue amino acid sequence corresponding to the segment encoded by exon-5 of murine ameloblastin (Ambn), AB2 (Y67-Q103), has been implicated with membrane association, ameloblastin self-assembly, and amelogenin-binding. Here, our aim was to characterize, at the residue level, the structural behavior of AB2 bound to chemical mimics of biological membranes using NMR spectroscopy. To better define the structure of AB2 using NMR-based methods, recombinant 13 C- and 15 N-labelled AB2 (*AB2) was prepared and data collected free in solution and with deuterated dodecylphosphocholine (dPC) micelles, deuterated bicelles, and both small and large unilamellar vesicles. Amide chemical shift and intensity perturbations observed in 1 H- 15 N HSQC spectra of *AB2 in the presence of bicelles and dPC micelles suggest that a region of *AB2, S6-E36 (murine Ambn S68 – E98), associates with the membrane biomimetics. A CSI-3 analysis of the NMR chemical shift assignments for *AB2 free in solution and bound to dPC micelles indicated the peptide remains disordered except for the adoption of a short, 12-residue α-helix, F10-G21 (murine Ambn F72-G83). In dPC micelles, the NOE NMR data was void of patterns characteristic of long-lived helical structure indicating this helix was transient in nature. A continuum of intrinsic disorder in the membrane-bound state may be responsible for ameloblastin’s ability to dynamically interact with multiple partners at the same site during amelogenesis.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Time Correlations from Steady-State Expectation Values

Recovering properties of correlation functions is typically challenging. On the one hand, experimentally, it requires measurements with a temporal resolution finer than the system’s dynamics. On the other hand, analytical or numerical analysis requires solving the system evolution. Here, we use recent results of quantum metrology with continuous measurements to derive general lower bounds on the relaxation and second-order correlation times that are both easy to calculate and measure. These bounds are based solely on steady-state expectation values and their derivatives with respect to a system parameter, and can be readily extended to the autocorrelation of arbitrary observables. We validate our method on two examples of critical quantum systems: a critical driven-dissipative resonator, where the bound matches analytical results for the dynamics, and the infinite-range Ising model, where only the steady state is solvable, and thus the bound provides information beyond the reach of existing analytical approaches. Our results can be applied to the experimental characterization of ultrafast systems and to the theoretical analysis of many-body models whose dynamics are hard to compute.

Górecki, Wojciech [INFN, Pavia] (ORCID:00000001991↗
DOE OSTI2021

Error-controlled, progressive, and adaptable retrieval of scientific data with multilevel decomposition

Extreme-scale simulations and high-resolution instruments have been generating an increasing amount of data, which poses significant challenges to not only data storage during the run, but also post-processing where data will be repeatedly retrieved and analyzed for a long period of time. The challenges in satisfying a wide range of post-hoc analysis needs while minimizing the I/O overhead caused by inappropriate and/or excessive data retrieval should never be left unmanaged. In this paper, we propose a data refactoring, compressing, and retrieval framework capable of 1) fine-grained data refactoring with regard to precision; 2) incrementally retrieving and recomposing the data in terms of various error bounds; and 3) adaptively retrieving data in multi-precision and multi-resolution with respect to different analysis. With the progressive data re-composition and the adaptable retrieval algorithms, our framework significantly reduces the amount of data retrieved when multiple incremental precision are requested and/or the downstream analysis time when coarse resolution is used. Experiments show that the amount of data retrieved under the same progressively requested error bound using our framework is 64% less than that using state-of-the-art single-error-bounded approaches. Parallel experiments with up to 1, 024 cores and ~ 600 GB data in total show that our approach yields 1.36× and 2.52× performance over existing approaches in writing to and reading from persistent storage systems, respectively.

Liang, Xin↗
DOE OSTI2020

Unravelling the diversity of magnetotactic bacteria through analysis of open genomic databases

Magnetotactic bacteria (MTB) are prokaryotes that possess genes for the synthesis of membrane-bounded crystals of magnetite or greigite, called magnetosomes. Despite over half a century of studying MTB, only about 60 genomes have been sequenced. Most belong to Proteobacteria, with a minority affiliated with the Nitrospirae, Omnitrophica, Planctomycetes, and Latescibacteria. Due to the scanty information available regarding MTB phylogenetic diversity, little is known about their ecology, evolution and about the magnetosome biomineralization process. This study presents a large-scale search of magnetosome biomineralization genes and reveals 38 new MTB genomes. Several of these genomes were detected in the phyla Elusimicrobia, Candidatus Hydrogenedentes, and Nitrospinae, where magnetotactic representatives have not previously been reported. Analysis of the obtained putative magnetosome biomineralization genes revealed a monophyletic origin capable of putative greigite magnetosome synthesis. The ecological distributions of the reconstructed MTB genomes were also analyzed and several patterns were identified. These data suggest that open databases are an excellent source for obtaining new information of interest.

59 BASIC BIOLOGICAL SCIENCES↗