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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 1,477 records · Page 82
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Potential for Evaporation and In Situ Reaction of Organic Compounds in Hanford Supplemental LAW

The presence of regulated organic species in Hanford nuclear tank waste is assessed in this report, along with fate of the organics and possible evaporative treatment. A narrowed list of regulated organic species of concern is developed based upon published analyses, chemical properties like aqueous solubility, and chemical reactivity under alkaline conditions. Published analyses include tank headspace and liquid samples, review of chemical reagents formerly used at Hanford, and the Tank Waste Information Network System (TWINS). This work supports possible stabilization of Hanford Supplemental Low Activity Waste (SLAW) by grouting.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Potential for Evaporation and In Situ Reaction of Organic Compounds in Hanford Supplemental LAW

The presence of regulated organic species in Hanford nuclear tank waste is assessed in this report, along with fate of the organics and possible evaporative treatment. A narrowed list of regulated organic species of concern is developed based upon published analyses, chemical properties like aqueous solubility, and chemical reactivity under alkaline conditions. Published analyses include tank headspace and liquid samples, review of chemical reagents formerly used at Hanford, and the Tank Waste Information Network System (TWINS). This work supports possible stabilization of Hanford Supplemental Low Activity Waste (SLAW) by grouting.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Phenomenological R-Matrix parameterization of direct, doorway, and compound nuclear reactions [Slides]

The presented R-matrix formalism could improve evaluations of resolved resonance nuclear cross section data by parameterizing direct reaction processes via an orthonormal channel mixing matrix and doorway state processes. Together, they can parameterize direct-semidirect capture. A formal similarity among the R-, K-, T- matrix formalisms was leveraged to parameterize direct and doorway processes. The advantage of this R-matrix parameterization is that it is easily extensible due to its application of projection operators directly upon the (H-E) on p. 6.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Light-Induced Spin Trapping in Transition Metal Compounds (DOE-DE-SC0017889-Final-Report)

In solar cells, devices that convert the energy of light directly into electricity, dye sensitized solar cells (DSSC) are some of the most capable devices for energy conversion. Ruthenium is a key component for these high-power conversion efficiencies in DSSC. Ruthenium, unfortunately, is among one of the rarest elements, and, thus, more earth-abundant replacements are needed. Though the properties of ruthenium are unique, these properties may be possible to mimic with other elements. To do this, the ability to control how other more earth-abundant elements like iron behave is essential. In this work, a method was developed to enable better control over iron species, for example, and their interaction with light.

14 SOLAR ENERGY↗
DOE OSTI2023

Studies of Reactive Amorphous Compounds and Surfaces: Their Pathways to Crystallinity and Surface Functionality

This project was originally headed by Dr. Abraham Clearfield (Texas A&M University, ret.) and focused on developing structural models of zirconium phosphate (ZrP) based materials at different stages of crystalline order using PDF techniques developed by co-PI Dr. Simon Billinge (Columbia University). When Dr. Clearfield retired, the project was taken over by Dr. Hong-Cai Zhou (Texas A&M University). The project proposed looking at defective metal-organic frameworks (MOFs) supported on the surface of the ZrP materials. During the project, the personnel conducted studies of the dispersion of different phosphate ligands in mixed organic phosphonates, and how they could be utilized to incorporate different metals within the ZrP interlayer spacing.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Detailed Structural and Chemical Analysis of Amorphous Compounds in Superconducting Qubit Systems

With massive improvements in device coherence times and gate fidelity over the past two decades, superconducting quantum devices have emerged as a leading technology platform for next generation quantum computing. While many of these improvements have been driven through optimized device designs and geometries, the presence of defects, impurities, interfaces, and surfaces in the constituent materials continue to limit performance and present a critical barrier in achieving scalable quantum systems with long coherence times. As part of the Superconducting Quantum Materials and Systems (SQMS) center, we have applied state-of-the-art materials characterization techniques, such as scanning/transmission electron microscopy, secondary ion mass spectrometry, and atom probe tomography, to identify structural defects and chemical inhomogeneities in superconducting qubits. In this review, we discuss the findings of these efforts as they relate to the inherent surfaces, interfaces, impurities, and defects in superconducting qubits. Through this comprehensive investigation, we provide insight into possible sources of dissipation in these systems. Further, we supplement these findings with potential strategies for mitigating these undesired features in an effort to systematically and intelligently improve the coherence times of superconducting qubits.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Synthesizing, Compounding, and Characterizing a Heat Labile Polyurethane Foam

Savannah River National Laboratory (SRNL) is part of the National Laboratory system within US Department of Energy (DOE) • Located within the DOE’s Savanah River Site near Aiken, SC • Operated by Battelle Savannah River Alliance (BSRA) LLC, a consortium of Battelle Laboratories, SRNL, University of South Carolina, Clemson University, South Carolina State University, University of Georgia, and Georgia Tech University.

Kranjc, Mark D.↗
DOE OSTI2024

Investigation of Mercury Compound Partitioning Through the Solvent Extraction System

Savannah River National Laboratory (SRNL) has been requested by Savannah River Mission Completion (SRMC)/ Salt Waste Processing Facility (SWPF) personnel to investigate the potential routes for titanium and mercury accumulations within the SWPF Flowsheet. This report documents work performed to examine how various forms of mercury can migrate through the multiple flowsheets of a solvent extraction system. This entailed 29 single stage distribution tests, a multi-stage Extraction-Scrub-Strip (ESS) test, and a detailed speciation analysis of several salt batch feed samples.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Wholly Sustainable, Cost-Effective Carbon Fiber-Nylon Compounds CRADA 592 (Final Report)

Carbon fiber composites have attracted considerable attention due to the potential for substantial mass savings, with many examples now implemented in the low-volume luxury car market. However, migration to higher volume applications has been hindered by: (a) high material cost, (b) high processing times, and (c) perception of low Sustainability. This project will address all three of these barriers: (a) carbon fiber material to replace aluminum in structural components at a cost penalty of no more than $5/Kg-saved (aka weight buy), (b) fitting into high-rate processes for automotive production like injection molding, and (c) end-to-end Sustainable material – based on post industrial waste carbon fiber and nylon 66 and ability to recycle end-of-life auto parts. The opportunity lies in combining DowAksa capabilities in carbon fiber manufacturing, resin chemistry intermediate production with the unique testing capabilities inherent within PNNL. The teams from PNNL and DowAksa held several meetings virtually and in-person in Michigan and at PNNL, including a lab tour at PNNL. Throughout, the teams discussed DowAksa material sources, commercially available recycled base materials, and preliminary material properties. The teams also engaged in multiple discussions and evaluations of potential automotive applications based on the ideas suggested by PNNL. The teams discussed several potential automotive applications in which recycled carbon fiber and recycled PA resin can be used. The PNNL team identified 38 cast aluminum components that can potentially be assessed for redesign using the DowAksa materials system. The PNNL team also identified 27 polyamide components. The teams discussed the lists and narrowed it down to a handful of applications that are exterior and interior to common vehicle architectures. The team also considered semi-structural and structural components and short-listed the highest potential candidates, such as cross-car-beam. The cross-car beam was considered to be highly suitable and potentially viable demonstration applications based on the properties of the materials as well as the weight savings potentials and the reduction in embodied energy by utilizing wholly sustainable materials, since both materials, carbon fiber and resin, were derived from recycled materials. The next step was to reach out to potential OEMs and/or Tier1s who were interested in exploring such technology for future applications. However, the project was terminated, and no further discussions or exchange of information took place. No new data were generated, including no IP and no publications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Novel Relativistic Electronic Structure Theories for Actinide-Containing Compounds

Actinides of importance to basic energy sciences contain electrons moving at speed comparable to the speed of light. Reliable computational simulation of these electrons and hence actinide chemistry requires accurate description of relativistic effects. The present project advances computational actinide chemistry with development of new methodologies, algorithms, and computer programs in relativistic quantum chemistry, as well as applications to actinide chemistry and spectroscopy. A new “electrons-only” exact two-component approach has been developed to provide efficient treatments of relativistic effects, while maintaining chemical accuracy. New computational algorithms developed here extend the applicability of relativistic electron-correlation methods to larger molecules. The method-development work in this project also features the first implementation of analytic gradient technique for relativistic electron-correlation methods, which provides significantly enhanced ability to compute properties for molecules containing actinides. The applicability and usefulness of these new methods and computer programs have been demonstrated in calculations of actinide-containing molecules to facilitate understanding of actinide chemistry and spectroscopy.

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

Using culture‐independent methods to link active compound‐specific carbon degradation to greenhouse gas production and recycling in natural populations of permafrost microbes

Under this project we conducted one scouting field trip (2019) and two fieldworks (2021, 2022) in Ny-Alesund, Svalbard. The project supported seven PhD students, six undergraduate research assistants, three Postdoctoral research associates and one Research Professor. The project supported travel and fieldwork for three international students. This project has produced 49 conference presentations/posters, 18 peer-reviewed journal articles published at time of preparation of this report, while 6 journal articles are still at different stages of review process, 1 outreach website and 2 YouTube videos. In addition, the PIs gave many seminars to other universities and research institutions.

54 ENVIRONMENTAL SCIENCES↗