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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Structural Evidence of Interanionic Hydrogen Bonding in Phosphoric Acid Solutions

Interanionic hydrogen bonding (IAHB) is a noncovalent interaction between like-charged ions that challenges conventional electrostatic understanding. This study provides direct structural evidence of IAHB in concentrated aqueous phosphoric acid (PA) solutions, which exhibit >60% dissociation under these conditions. Oxygen K-edge X-ray absorption fine structure spectroscopy, combined with electron affinity time-dependent density functional theory calculations, reveals the formation of stable, cyclic phosphate-phosphate IAHB dimers at PA concentrations ≥7 M. Extended X-ray absorption fine structure data show distinct long-range ordering consistent with these dimers, and near-edge X-ray absorption fine structure spectra confirm a concentration-dependent transition from monomeric to dimeric species. Energy decomposition analysis through density functional theory shows that the formation of solution-phase IAHB is energetically favored and is attributed to polarization of and the charge transfer between the two fragments driven by the surrounding solvent molecules, in addition to the permanent electrostatics. These findings offers crucial structural insights into the H-bonded networks in concentrated PA, highlighting the critical role of solvent in facilitating anion–anion association.

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

Electronic Structure Progression across the ACu 2 Q 2 (MQ 2 ) n Semiconductor Series

Moving beyond the engineering of known materials and elemental substitution within common structure types is critical for designing unique properties. Here, we present a new homologous series, ACu 2 Q 2 (MQ 2 ) n (A = Sr, Ba, 2Na; MQ 2 = ZrS2, HfSe 2 ), establishing 11 new members. In β-BaCu 2 Q 2 and Na 2 Cu 2 Se 2 (n = 0), the [Cu 2 Q 2 ] 2– motifs extend in two dimensions, whereas those in α-BaCu 2 Q 2 extend in three dimensions. Hence, there are two structural evolutions within the ACu 2 Q 2 (MQ 2 )n family driven by the polymorphism of the host structures. MQ 2 (n → ∞) displays 2D layers of edge-sharing [MQ 6 ] 8– octahedra that are 1-octahedron-thick and connected via van der Waals bonding. Each insertion of MQ 2 into ACu 2 Q 2 incorporates [MQ 6 ] 8– octahedra extending infinitely in one direction, confined to being 1-octahedron-thick in the second direction, with n controlling the number of [MQ 6 ] 8– octahedra in the third direction. Therefore, increasing n predictively expands the [Cu 2 MnQ 2n+2 ] 2– network in the direction controlled by n and relative to the A + /A 2+ ions. We demonstrate that for a given set of elements, one can enforce a “Host(Insertion)n” formula to systematically evolve both crystal and electronic structures from the host (n = 0) to the insertion (n → ∞) materials through intermediate values of n. Specifically, the energetic misalignment of the electronic band extrema of the parents predictively determines the band extrema and the resulting band gaps of all intermediate n members.

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

Mechanistic insights into rubidium ion adsorption at the quartz (101) surface from quantum chemical metadynamics

Ion sorption extent and mechanism depend in part on the mineral surface termination, which can be highly complex. Variations in surface functional groups, particularly with defect density and surface roughness, influence mineral reactivity towards solutes. In this work, we investigate the adsorption of a rubidium cation (Rb + ) at pristine and defect quartz (101) surface sites using well-tempered metadynamics, based on simulations with the quantum chemical density-functional tight-binding (DFTB) method. We compare the relative energetics of Rb + adsorption across selected sites for each surface, with nanosecond-level sampling, highlighting similarities between vicinal and geminal silanol sites. We find that the positive Rb + partial atomic charge can increase by as much as 0.5e as it approaches the surface, with implications for modulation of ion adsorption strength and extent at the quartz (101) surface with surface vacancies, silanol coverage, and charge.

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

Summary of LANL Critical Benchmark Comparison Study and Revisions for Cases Involving HEU, LEU, MIX, and Pu

This report documents results obtained for revisions made to cases involving Highly Enriched Uranium (HEU), Intermediate Enriched Uranium (IEU), a mixture of Pu and Uranium (MIX), as well as Pu cases. A previous summary of revisions for HEU an Pu cases was reported and additional investigations into four cases originally presented therein uncovered further revisions which led to better agreement with other transport codes, those cases are updated in this report. The summary of all cases reported in Reference 2 is updated in this report. In addition, a previous summary of revisions for LEU and MIX was reported, a summary of those revisions in reproduced in this report for a comprehensive summary of changes to benchmarks beginning in fiscal year 2020 to current date. The report focuses on the changes made to LANL benchmarks modeled with MCNP6 using ENDF/B-VII.1 nuclear data that appeared to have discrepant results when compared with results of other codes. Feedback was used to pinpoint review of benchmark input files and to revise them when necessary. This report documents the results of review and revision of specific benchmarks highlighted as possibly discrepant in the comparison study. In addition, there is an effort tied to this work involving collaboration between LANL XCP and NCS Divisions in the development of a shared review/revision procedure and use of a new benchmark repository. LANL has a benchmark library of critical experiments from the International Criticality Safety Benchmark Evaluation Project (ICSBEP) Handbook modeled for use with MCNP. This collection is now over 1100 benchmarks, referred to as the Whisper-1.1 library because it is used with the sensitivity/uncertainty package, Whisper, which supports nuclear criticality safety validation and is released with MCNP6.2. The collection, originally created several decades ago, is a combination of smaller collections, which has been revised and expanded, by various groups at LANL over the years. The original authors are no longer at the laboratory and little formal documentation of review and revision of these benchmarks exists today. A branch of the benchmark collection was already the subject of a formal review undertaken by the LANL NCS Division and expanded to include XCP Division.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Fedora, Fission, and Freedom [Slides]

Project Y laid the foundation for all work currently performed at LANL. LANL is responsible for the stewardship of most of the U.S. nuclear weapons, facilitates global security and nonproliferation, and has been a Federally Funded Research and Development Center (FFRDC) for more than 75 years.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
NASA NTRS1974

Aerodynamic size distribution of suspended particulate matter in the ambient air in the city of Cleveland, Ohio

The City of Cleveland Division of Air Pollution Control and NASA jointly investigated the chemical and physical characteristics of the suspended particulate matter in Cleveland, and as part of the program, measurements of the particle size distribution of ambient air samples at five urban locations during August and September 1972 were made using high-volume cascade impactions. The distributions were evaluated for lognormality, and the mass median diameters were compared between locations and as a function of resultant wind direction. Junge-type distributions were consistent with dirty continental aerosols. About two-thirds of the suspended particulate matter observed in Cleveland is less than 7 microns in diameter.

Leibecki, H. F.↗
NASA NTRS2000

A Technology Demonstration Experiment for Laser Cooled Atomic Clocks in Space

We have been developing a laser-cooling apparatus for flight on the International Space Station (ISS), with the intention of demonstrating linewidths on the cesium clock transition narrower than can be realized on the ground. GLACE (the Glovebox Laser- cooled Atomic Clock Experiment) is scheduled for launch on Utilization Flight 3 (UF3) in 2002, and will be mounted in one of the ISS Glovebox platforms for an anticipated 2-3 week run. Separate flight definition projects funded at NIST and Yale by the Micro- gravity Research Division of NASA as a part of its Laser Cooling and Atomic Physics (LCAP) program will follow GLACE. Core technologies for these and other LCAP missions are being developed at JPL, with the current emphasis on developing components such as the laser and optics subsystem, and non-magnetic vacuum-compatible mechanical shutters. Significant technical challenges in developing a space qualifiable laser cooling apparatus include reducing the volume, mass, and power requirements, while increasing the ruggedness and reliability in order to both withstand typical launch conditions and achieve several months of unattended operation. This work was performed at the Jet Propulsion Laboratory under a contract with the National Aeronautics and Space Administration.

Klipstein, W. M.↗
NASA NTRS2011

NASA Musculoskeletal Space Medicine and Reconditioning Program

The Astronaut Strength, Conditioning, and Rehabilitation (ASCR) group is comprised of certified strength and conditioning coaches and licensed and certified athletic trainers. The ASCR group works within NASA s Space Medicine Division providing direction and supervision to the astronaut corp with regards to physical readiness throughout all phases of space flight. The ASCR group is overseen by flight surgeons with specialized training in sports medicine or physical medicine and rehabilitation. The goals of the ASCR group include 1) designing and administering strength and conditioning programs that maximize the potential for physical performance while minimizing the rate of injury, 2) providing appropriate injury management and rehabilitation services, 3) collaborating with medical, research, engineering, and mission operations groups to develop and implement safe and effective in-flight exercise countermeasures, and 4) providing a structured, individualized post-flight reconditioning program for long duration crew members. This Panel will present the current approach to the management of musculoskeletal injuries commonly seen within the astronaut corp and will present an overview of the pre-flight physical training, in-flight exercise countermeasures, and post-flight reconditioning program for ISS astronauts.

Kerstman, Eric↗
DOE OSTI2025

Towards the Stable Chelation of Radioantimony(V) for Targeted Auger Theranostics

Abstract Antimony‐119 ( 119 Sb) is one of the most attractive Auger‐electron emitters identified to date, but it remains practically unexplored for targeted radiotherapy because no chelators have been identified to stably bind this metalloid in vivo. In a departure from current studies focused on chelator development for Sb(III), we explore the chelation chemistry of Sb(V) using the tris‐catecholate ligand TREN‐CAM. Through a combination of radiolabeling, spectroscopic, solid‐state, and computational studies, the radiochemistry and structural chemistry of TREN‐CAM with 1XX/nat Sb(V) were established. The resulting [ 1XX Sb]Sb–TREN‐CAM complex remained intact for several days in human serum, signifying high stability under biological conditions. Finally, the first in vivo single photon emission computed tomography and positron emission tomography imaging studies were carried out using 117 Sb, the diagnostic analogue of 119 Sb. These studies revealed marked differences in the uptake and distribution of activity in mice administered unchelated [ 117 Sb]Sb(OH) 6 – versus [ 117 Sb]Sb–TREN‐CAM, suggesting that 117 Sb is largely retained by TREN‐CAM over the time course of the study. Collectively, these findings demonstrate the most physiologically stable complex of no‐carrier‐added 1XX Sb yet reported, offering new promise for the clinical implementation of radioantimony in nuclear medicine. Our results also establish the feasibility of 117 Sb as an elementally matched partner to 119 Sb for theranostic applications.

Olson, Aeli P. [Department of Medical Physics Univ↗
DOE OSTI2022

Student Opportunities in 2022 - An XTD-SS Perspective [Slides]

Intended for remote presentations for student recruiting. Los Alamos National Laboratory’s mission is to solve security challenges through simultaneous excellence. It accomplishes this through the shared efforts of a diverse group of people from many backgrounds. A crucial subset of these people are students that make their contributions in mathematics, physics, engineering, and more. In this presentation, I will describe LANL, its student programs, my division XTD, my group XTD-SS, and several relevant topics for students. I conclude with the following statement: LANL is a great place to apply skills learned in academia and time spent here is valuable for wherever your future career may lead you.

42 ENGINEERING↗
NASA NTRS2018

Qualifying Bulk Metallic Glass Gear Materials for Spacecraft Applications

NASA is evaluating bulk metallic glass (BMG) gears for extreme environment (cryogenic) applications; e.g., Europa Lander. The main purpose of this report is to recommend a quality assurance (QA) protocol for the production of consistent and reliable gear castings. Currently, there are two, separate manufacturers involved; Materion Corporation produces re-melt stock and Visser Precision Cast, Inc. produces BMG castings. Division of the existing alloy specifications document into material supplier-specific documents is proposed. Until a composition-based specification is established, processability- and performance-based methodologies may be an option during manufacturing development. It is recommended that each of the documents has a distinct focus; the processing behavior of crystalline feedstock, and the mechanical behavior of amorphous castings. The report addresses the “gray area” in QA testing between these materials suppliers by outlining an equitable division of responsibilities. The use of a number of dedicated reference dies to produce witness materials for physical and mechanical property evaluation is strongly recommended. Allocation of QA tests between screen testing of gear castings, and formal testing of witness materials, including cryogenic properties, is also proposed. The most effective suite of tests for both physical and mechanical property determination are down-selected from available national and international standards. The contents of this report create a solid basis for selection of QA tests, thereby setting the stage for negotiations between the materials suppliers and the customer.This technical paper:a) provides recommendations to advance materials specifications document JPL D-56223,Rev. A from “draft” to “preliminary” status;b) proposes division of the current document into two supplier-specific documents;c) separates testing methods by “ingots/castings” and “witness materials”;d) classifies test methodology based on “processability” and “performance”;e) assembles candidate ASTM specifications for “screen testing” and “formal testing”;f) identifies standard tests compatible with evaluation of BMG flexspline gears;g) suggests division of responsibilities for processability and performance testing; andh) addresses the QA “gray area” between production of ingots and castings.The report recommends that:a) processability- and performance-based QA methods might be used in lieu ofcompositional specifications during manufacturing development only;b) reference dies be designed for “acceptance” and “qualification” castings;c) witness materials provide physical and mechanical property data;d) formal testing be conducted at ambient and cryogenic temperatures; ande) processing/properties be correlated with compositional variations.

Hales, Stephen J.↗
DOE OSTI2025

Beyond-classical computation in quantum simulation

Quantum computers hold the promise of solving certain problems that lie beyond the reach of conventional computers. However, establishing this capability, especially for impactful and meaningful problems, remains a central challenge. Here, we show that superconducting quantum annealing processors can rapidly generate samples in close agreement with solutions of the Schrödinger equation. We demonstrate area-law scaling of entanglement in the model quench dynamics of two-, three-, and infinite-dimensional spin glasses, supporting the observed stretched-exponential scaling of effort for matrix-product-state approaches. We show that several leading approximate methods based on tensor networks and neural networks cannot achieve the same accuracy as the quantum annealer within a reasonable time frame. Thus, quantum annealers can answer questions of practical importance that may remain out of reach for classical computation.

King, Andrew D. [D-Wave Quantum Inc., Burnaby, BC ↗
DOE OSTI2026

TTDAQ: A Continuous Flow, Timing and Trigger DAQ System

Final Scientific/Technical Report for DOE Award DE-SC0019581, “TTDAQ: A Continuous Flow, Timing and Trigger DAQ System.” The report summarizes Telluric Labs’ Phase II STTR work developing silicon-photonic building blocks for a software-defined, continuous-flow, trigger-less data acquisition system for next-generation high-energy and nuclear-physics detectors. The project focused on radiation-hard photonic integrated circuits, remote optical illumination, dense wavelength-division multiplexing, and a differential microring-resonator transceiver architecture designed to improve high-speed optical link stability and bandwidth. The report describes project objectives, technical accomplishments, AIM Photonics tape-outs, bench characterization, radiation-hardness testing, deferred integration work, and potential applications beyond physics readout.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1974

Status of NASA space-processing research

A survey is presented of the history, goals, objectives, and implementation of the NASA space processing program. Program activities have resulted in the present division of interests into metallurgical processes, electronic materials, biological applications, ceramics and glass, physical properties in fluids, and chemical processes. An outline is given of space shuttle payload development.

Bredt, J. H.↗
NASA NTRS1988

International interface design for Space Station Freedom - Challenges and solutions

The definition of interfaces for the International Space Station is discussed, with a focus on negotiations between NASA and ESA. The program organization and division of responsibilities for the Space Station are outlined; the basic features of physical and functional interfaces are described; and particular attention is given to the interface management and documentation procedures, architectural control elements, interface implementation and verification, and examples of Columbus interface solutions (including mechanical, ECLSS, thermal-control, electrical, data-management, standardized user, and software interfaces). Diagrams, drawings, graphs, and tables listing interface types are provided.

Mayo, Richard E.↗
NASA NTRS1993

Microgravity flight research in a dynamic and changing environment

NASA's Microgravity Science and Applications Division conducts both basic and applied low-g research encompassing biotechnology, fluid physics, combustion, and materials science, in industry, university, and government research settings. The present evaluation of such a diverse research program's management gives attention to the fiscal constraints, polical factors, technological changes, international cooperation requirements, and educational responsibilities that must be addressed.

Schmitz, Robert A.↗
NASA NTRS2008

EUNIS Underflight Calibrations of CDS, EIT, TRACE, EIS, and EUVI

The Extreme-Ultraviolet Normal-Incidence Spectrograph (EUNIS) is a sounding rocket instrument that obtains imaged high-resolution solar spectra. It has now had two successful flights, on 2006 April 12 and 2007 November 16, providing data to support underflight calibrations for a number of orbiting solar experiments on both occasions. A regular part of each campaign is the end-to-end radiometric calibration of the rocket payload carried out at RAL in the UK, using the same facility that provided pre-flight CDS and EIS calibrations. The measurements, traceable to primary radiometric standards, can establish the absolute EUNIS response within a total uncertainty of 10% over its full longwave bandpass of 300-370A. During each EUNIS flight, coordinated observations are made of overlapping solar locations by all participating space experiments, and identified by subsequent image co-registrations, allowing the EUNIS calibrations to be applied to these other instruments as well. The calibration transfer is straightforward for wavelengths within the EUNIS LW bandpass, and is extended to other wavelengths by means of a series of temperature- and density-insensitive line-ratios, with one line of each pair in the calibrated band and the other in the transfer band. In this way, the EUNIS-06 flight is able to update the radiometric calibrations of CDS NISl (and 2nd-order NIS2 near 2x304A), all four channels of EIT, and the three EUV channels of TRACE. The EUNIS-07 flight will further update those missions, as well as both channels of Hinode/EIS and all four channels of STEREO/SECCHI/EUVI. Future EUNIS flights have been proposed that will continue this underflight calibration service. EUNIS is supported by the NASA Heliophysics Division through its Low Cost Access to Space Program in Solar and Heliospheric Physics.

Thomas, Roger J.↗
NASA NTRS2008

EUNIS Underflight Calibrations of CDS, EIT, TRACE, EIS, and EUVI

The Extreme-Ultraviolet Normal-Incidence Spectrograph (EUNIS) is a sounding rocket instrument that obtains imaged high-resolution solar spectra. It has now had two successful flights, on 2006 April 12 and 2007 November 16, providing data to support underflight calibrations for a number of orbiting solar experiments on both occasions. A regular part of each campaign is the end-to-end radiometric calibration of the rocket payload carried out at RAL in the UK, using the same facility that provided pre-flight CDS and EIS calibrations. The measurements, traceable to primary radiometric standards, can establish the absolute EUNIS response within a relative uncertainty of 10% over its full longwave bandpass of 300-370A. During each EUNIS flight, coordinated observations are made of overlapping solar locations by all participating space experiments, and identified by subsequent image co-registrations, allowing the EUNIS calibrations to be applied to these other instruments as well. The calibration transfer is straightforward for wavelengths within the EUNIS LW bandpass, and is extended to other wavelengths by means of a series of 'insensitive' line-ratios, with one line of each pair in the calibrated band and the other in the transfer band. In this way, the EUNIS-06 flight is able to update the radiometric calibrations of CDS NISl (plus 2nd order NIS2 near 2x304A), all four channels of EIT, and the three EUV channels of TRACE. The EUNIS-07 flight will further update those missions, as well as both channels of Hinode/EIT and all four channels of STEREO/SECCHI/EUVI. Future EUNIS flights have been proposed that will continue this underflight calibration service. EUNIS is supported by the NASA Heliophysics Division through its Low Cost Access to Space Program in Solar and Heliospheric Physics.

Thomas, Roger J.↗