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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

A universal language for finding mass spectrometry data patterns

Despite being information rich, the vast majority of untargeted mass spectrometry data are underutilized; most analytes are not used for downstream interpretation or reanalysis after publication. The inability to dive into these rich raw mass spectrometry datasets is due to the limited flexibility and scalability of existing software tools. Here, in this study, we introduce a new language, the Mass Spectrometry Query Language (MassQL), and an accompanying software ecosystem that addresses these issues by enabling the community to directly query mass spectrometry data with an expressive set of user-defined mass spectrometry patterns. Illustrated by real-world examples, MassQL provides a data-driven definition of chemical diversity by enabling the reanalysis of all public untargeted metabolomics data, empowering scientists across many disciplines to make new discoveries. MassQL has been widely implemented in multiple open-source and commercial mass spectrometry analysis tools, which enhances the ability, interoperability and reproducibility of mining of mass spectrometry data for the research community.

Damiani, Tito [Czech Academy of Sciences (CAS), Pr↗
DOE OSTI2025

Author Correction: A universal language for finding mass spectrometry data patterns

Correction to: Nature Methodshttps://doi.org/10.1038/s41592-025-02660-z, published online 12 May 2025. This article was originally published under standard Springer Nature license (© The Author(s), under exclusive licence to Springer Nature America, Inc.). It is now available as an open-access paper under a Creative Commons Attribution 4.0 International license, © The Author(s). The error has been corrected in the HTML and PDF versions of the article.

Damiani, Tito↗
DOE OSTI2022

Multiple magnetic orders in LaFeAs 1-x P x O uncover universality of iron-pnictide superconductors

The iron-pnictide superconductors have generated tremendous excitement as the competition between magnetism and superconductivity has allowed unique in-roads towards elucidating a microscopic theory of unconventional high-temperature superconductivity. In addition to the stripe spin density wave ($C^a_{2M}$) phase observed in the parent compounds of all iron-pnictide superconductors, two novel magnetic orders have recently been discovered in different parent structures: an out-of-plane collinear double-Q ($C^c_{4M}$) structure in the hole-doped (Ca, Sr, Ba) 1-x (Na) x Fe 2 As 2 and Ba 1-x K x Fe 2 As 2 families, and a spin vortex crystal “hedgehog” ($C^{ab}_{4M}$) structure in the CaKFe 4 As 4 family. Using neutron diffraction, we demonstrate that LaFeAs 1-x P x O contains all three magnetic orders within a single-phase diagram as a function of substitution, all of which compete strongly with superconductivity. Our experimental observations combined with theoretical modeling demonstrate how the reduction in electronic correlations by chemical substitution results in larger Fermi surfaces and the sequential stabilization of multiple magnetic anisotropies. Our work presents a unified narrative for the competing magnetic and superconducting phases observed in various iron-pnictide systems with different crystal structures and chemistry.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Correction: A universal method for sensitive and cell-free detection of CRISPR-associated nucleases

In the original article, incorrect grant information from the Department of Energy was provided. The corrected Acknowledgementssection is provided below, with the correct grant number:This work was supported by the Burroughs Wellcome Fund (Career Award at the Scientific Interface to A. C.), DARPA (BrdiN66001-17-2-4055 to A. C.), NIH (1R21AI126239-01 to A. C.), Army Research Office award W911NF1610586 (to A. C.), and by theDepartment of Energy through grant DE-SC0010595 to E. F., which supported the salary of H. K. K. S. This work is dedicated toProfessor Ronald T. Raines on the occasion of his 60th birthday.The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Partially reduced Ru/RuO 2 composites as efficient and pH-universal electrocatalysts for hydrogen evolution

Efficient and long-term stable electrocatalysts for the hydrogen evolution reaction (HER) via water splitting are urgently desired to ease the energy crisis and develop the sustainability of human society. However, the HER performance of state-of-the-art Pt in non-acidic solutions is unsatisfactory due to the severely sluggish kinetics. In this work, DFT theoretical calculations reveal that the Ru/RuO 2 composites enable high HER activity to be pursued under non-acidic conditions because of the distinctive Ru and RuO 2 interface, which possess not only a strong capability to adsorb and dissociate water but also appropriate binding energies of H and OH. Therefore, we employ a simple strategy, including heating under an oxygen-poor environment and/or in situ electrochemical reduction, to partially reduce RuO 2 . The formed Ru/RuO 2 interfaces demonstrate superior HER activities (e.g. η 10 = 17 mV, 35 mV dec –1 in 1 M KOH) than Pt/C (e.g. η 10 = 27 mV, 58 mV dec –1 in 1 M KOH) at both small (10–100 mA cm –2 ) and large (1 A cm –2 ) current densities in alkaline solution and even real seawater. Comprehensive experiments were conducted to investigate the structure-HER performance relationships. Moreover, benefiting from the bifunctional character of RuO2, a two-electrode system based on Ru/RuO 2 composites and RuO 2 exhibits the lowest cell voltage for water splitting in both 1 M KOH and 0.5 M H 2 SO 4 , respectively. A 300 h-stability test at 10 mA cm –2 without an obvious decay demonstrates the industrial prospects of the Ru/RuO 2 composites to generate green energy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

High-resolution x-ray radiography with Fresnel zone plates on the University of Rochester’s OMEGA Laser Systems

Experiments performed at the Laboratory for Laser Energetics with a continuous-wave (cw) x-ray source and on the OMEGA and OMEGA EP Laser Systems have utilized a Fresnel zone plate (FZP) to obtain x-ray images with a spatial resolution as small as ~1.5 μm. Such FZP images were obtained with a charge-coupled device or a framing camera at energies ranging from 4.5 keV to 6.7 keV using x-ray line emission from both the cw source and high-intensity, laser-beam–illuminated metal foils. In all cases, the resolution test results are determined from patterns and grids backlit by these sources. Here, the resolutions obtained are shown to be due to a combination of the spectral content of the x-ray sources and detector resolution limited by the magnification of the images (14× to 22×). High-speed framing cameras were used to obtain FZP images with frame times as short as ~30 ps. Double-shell implosions on OMEGA were backlit by laser-irradiated Fe foils, thus obtaining a framing-camera–limited, FZP-image resolution of ~3 μm–4 μm.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Investigating radiatively driven, magnetized plasmas with a university scale pulsed-power generator

We present first results from a novel experimental platform that is able to access physics relevant to topics including indirect-drive magnetized inertial confinement fusion, laser energy deposition, various topics in atomic physics, and laboratory astrophysics (for example, the penetration of B-fields into high energy density plasmas). This platform uses the x rays from a wire array Z-pinch to irradiate a silicon target, producing an outflow of ablated plasma. The ablated plasma expands into ambient, dynamically significant B-fields (∼5 T), which are supported by the current flowing through the Z-pinch. The outflows have a well-defined (quasi-1D) morphology, enabling the study of fundamental processes typically only available in more complex, integrated schemes. Experiments were fielded on the MAGPIE pulsed-power generator (1.4 MA, 240 ns rise time). On this machine, a wire array Z-pinch produces an x-ray pulse carrying a total energy of ∼15 kJ over ∼30 ns. This equates to an average brightness temperature of around 10 eV on-target.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Tuning the quantumness of simple Bose systems: A universal phase diagram

We present a comprehensive theoretical study of the phase diagram of a system of many Bose particles interacting with a two-body central potential of the so-called Lennard-Jones form. First-principles path-integral computations are carried out, providing essentially exact numerical results on the thermodynamic properties. The theoretical model used here provides a realistic and remarkably general framework for describing simple Bose systems ranging from crystals to normal fluids to superfluids and gases. The interplay between particle interactions on the one hand and quantum indistinguishability and delocalization on the other hand is characterized by a single quantumness parameter, which can be tuned to engineer and explore different regimes. Taking advantage of the rare combination of the versatility of the many-body Hamiltonian and the possibility for exact computations, we systematically investigate the phases of the systems as a function of pressure (P) and temperature (T), as well as the quantumness parameter. Here, we show how the topology of the phase diagram evolves from the known case of 4 He, as the system is made more (and less) quantum, and compare our predictions with available results from mean-field theory. Possible realization and observation of the phases and physical regimes predicted here are discussed in various experimental systems, including hypothetical muonic matter.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗