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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Post-irradiation Examination Plan for the ORNL and University of California Santa Barbara Assessment of the UCSB ATR-2 Irradiation Experiment and a Reference Document for the Irradiated Archival RPV Materials Stored in the NSUF Nuclear Fuels and Materials Library

The Reactor Pressure Vessel task of the LWRS Program works with various organizations to obtain archival surveillance materials from commercial nuclear power plants to allow for comparisons of the irradiation-induced microstructural features from reactor surveillance materials with those from similar materials irradiated under high flux conditions in test reactors, such as the UCSB ATR-2 experiment. This report, originally submitted as a Level 3 Milestone M3LW-14OR0402012 – “Complete report on post-irradiation examination plan for ORNL and University of California Santa Barbara assessment of ATR-2 capsules,” has been expanded to providing a reference to access and / or perform characterization of irradiated archival RPV materials that were transferred to the Nuclear Science User Facility (NSUF), Nuclear Fuels and Materials Library (NFML).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

New Materials and an Efficient Processing Approach for Materials for Harsh Environments – Continuous Electric Field Assisted Sintering

Electric-field assisted sintering (EFAS) is an advanced manufacturing method for the consolidation and processing of ceramic and metal materials. It is a particularly excellent candidate for efficient materials processing as it has greater than 90% energy cost savings and improved CO2 emissions compared to traditional sintering in a furnace. This is due to direct rapid heating of the materials and molds leveraging an electrification phenomenon called Joule heating where electrical current is passed through the sample/mold assemblies causing direct heating. The technique does have limitations though as it is traditionally a batch-process and suffers from scale up difficulties. To overcome this, researchers at Idaho National Laboratory changed the form factor of traditional EFAS instruments to develop and construct a continuous rolling electric-field assisted sintering (CEFAS) device. Its unique design creates highly localized electrical, thermal, and mechanical process parameters for continuous samples of limitless length. Advanced core shell powder materials were also created using fluidized powder bed atomic layer deposition of core/shell solid oxide electrochemical electrode/electrolyte BaCe0.7Zr0.1Y0.1Yb0.1O3 (BCZYYb) and yttrium doped BaZrO3 (BZY) to be a feedstock for the new CEFAS instrument. The innovative core/shell powder is hypothesized to have high protonic conductivity with enhanced environmental resistance. The completed project covers innovations in process control and design enabled by control theory, finite element modeling and mechanical design, three dimensionally printed carbon-carbon composite manufacturing and utilization, and green materials processing techniques.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Materials Data Science Ontology(MDS-Onto): Unifying Domain Knowledge in Materials and Applied Data Science

Ontologies have gained popularity in the scientific community as a way to standardize terminologies in organizations’ data. Although certain cohorts have created frameworks with rules and guidelines on creating ontologies, there exist significant variations in how Materials Science ontologies are currently developed. We seek to provide guidance in the form of a unified automated framework for developing interoperable and modular ontologies for Materials Data Science that simplifies the ontology terms matching by establishing a semantic bridge up to the Basic Formal Ontology(BFO). This framework provides key recommendations on how ontologies should be positioned within the semantic web, what knowledge representation language is recommended, and where ontologies should be published online to boost their findability and interoperability. Two fundamental components of the MDS-Onto framework are the bilingual package called FAIRmaterials for ontology creation and FAIRLinked, for FAIR data creation. To showcase the practical capabilities of FAIRmaterials, we present two exemplar domain ontologies of MDS-Onto: Synchrotron X-Ray Diffraction and Photovoltaics.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

Functional materials and devices by self-assembly

The field of self-assembly has moved far beyond early work, where the focus was primarily the resultant beautiful two- and three-dimensional structures, to a focus on forming materials and devices with important properties either otherwise not available, or only available at great cost. Over the last few years, materials with unprecedented electronic, photonic, energy-storage, and chemical separation functionalities were created with self-assembly, while at the same time, the ability to form even more complex structures in two and three dimensions has only continued to advance. Self-assembly crosscuts all areas of materials. Functional structures have now been realized in polymer, ceramic, metallic, and semiconducting systems, as well as composites containing multiple classes of materials. Finally, as the field of self-assembly continues to advance, the number of highly functional systems will only continue to grow and make increasingly greater impacts in both the consumer and industrial space.

Materials for Devices↗
DOE OSTI2020

NSUF Rad-AFM: Nanoscale Material Property Measurements of Radioactive Materials

Many advances in our understanding of radiation induced damage mechanisms are due to imaging techniques including transmission electron microscopy and scanning electron microscopy. However, the effect of these radiation induced defects characterized on the atomic to micrometer scale are often interpreted by changes in bulk material properties measured in the hundreds of microns to cm scale. In order to bridge this gap, additional tools need to be developed for use with radioactive materials. To this end a new Asylum Infinity multimodal atomic force microscope (AFM) has been added to the library of Nuclear Science User Facility (NSUF) instruments for use on radioactive materials. This instrument is housed in the Radiochemical Processing Laboratory (RPL) which is a Department of Energy Hazard Category II Non-Reactor Nuclear Facility operated by Battelle at Pacific Northwest National Laboratory. This allows for the handling, sample preparation, and characterization of highly radioactive materials providing a unique capability to understand fundamental properties of nuclear materials and the effects of radiation induced damage.

Riechers, Shawn L.↗
DOE OSTI2021

Hybrid materials and nanocomposite materials, methods of making same, and uses thereof

Hybrid materials and nanocomposite materials, methods of making and using such materials. The nanoparticles of the nanocomposite are formed in situ during pyrolysis of a hybrid material comprising metal precursor compounds. The nanoparticles are uniformly distributed in the carbon matrix of the nanocomposite. The nanocomposite materials can be used in devices such as, for example, electrodes and on-chip inductors.

Archer, Lynden A.↗
DOE OSTI2024

Methods, materials systems, and devices for inhibiting infiltration and penetration of molten salts into solid materials

Methods, materials systems, and devices for inhibiting the infiltration and penetration of molten salts into solid materials, including porous materials at temperatures above the solidus temperature of the molten salt. The methods, materials systems, and devices utilize a non-wetted solid that is introduced into pores having entrances at an exterior surface of a porous solid material adapted to contact the molten salt.

Sandhage, Kenneth Henry↗
DOE OSTI2024

Method for electrochemical transformation of amorphous material to crystalline material

A method for converting amorphous boron nitride to crystalline boron nitride, the method comprising immersing the amorphous boron nitride into anhydrous molten magnesium chloride maintained within a temperature range of 720° C.-820° C. while the amorphous boron nitride is cathodically polarized at a voltage within a range of −2.2V to −2.8V for a period of time of at least 2 minutes to result in conversion of the amorphous boron nitride to the crystalline form. Also described herein is a method for converting an amorphous carbon material to a crystalline carbon material, the method comprising immersing said amorphous carbon material into anhydrous molten magnesium chloride maintained within a temperature range of 780° C.-820° C. while the amorphous carbon material is cathodically polarized at a voltage within a range of −2.2V to −2.8V for a period of time of at least 2 minutes to result in conversion of the amorphous carbon material to the crystalline form.

Bagri, Prashant↗
DOE OSTI2022

Materials Scorecards, Phase 2: Advanced Materials and Manufacturing Technology

This report presents updated material score cards with detailed justification of the proposed rating provided and quantifies the readiness of the advanced manufacturing of materials for nuclear applications. Based on an expanded literature review of available data, the scores in this report (Phase 2) have either been modified or remained constant as compared with Phase 1 scoring. The rating justification are provided for each scoring criteria whereas the maturity quantification of additively manufactured alloys and the knowledge gaps are discussed with reference traceability. This report focuses on the detailed justification and traceability for the adoption of additively manufactured 316SS, SS304, Alloy 800H, Graphite C/C, Alloy N, Silicon Carbide, HT9, Alloy 617, and Alloy 718. Significant variability in data and knowledge gaps exist among the identified materials. The scorecards are therefore based on published literature data, industry response to a survey, stakeholder input collected at workshops, and expert opinion. The interpretation and assessment were somewhat challenged as experimental process parameters and methodology varied and best judgment was exercised for score quantification. This assessment reflects the overall level of technical maturity for AM materials and their deployment in Gen-VI nuclear systems. These Phase 2 scorecards are likely to be revised based on additional input from stakeholders and as new research results become available.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Materials Scorecards, Phase 1: Advanced Materials and Manufacturing Technology

This report presents preliminary material score cards (Phase 1) based on a survey of industry experts and the limited literature available on the state of advanced manufacturing of materials for nuclear applications. Seven reactor types were considered, and the data is presented in tabular form. The caveat is that the scores are based on limited data and expert judgement. Considerable work remains to be done to prioritize materials for advanced manufacturing to support existing and advanced reactors. A central database of processing conditions, resulting microstructure, post processing, properties, and performance of these materials is needed to support the accelerated adoption of advanced manufacturing by the industry.

36 MATERIALS SCIENCE↗
DOE OSTI2020

BACKFLIP Project: Determination of BACKsheet Material Properties: A Comparison of Market-Benchmark Technologies to Novel Non-Fluoro-Based Co-Extruded Backsheet Materials and Their Correlation and Impact on PV Module Degradation Rates

Quantifying degradation rate of backsheets will help procuring materials for 30+ years. Today most backsheets on the market have a laminated PET core; polyolefin materials may provide better properties for backsheets (barrier to water, mechanical properties through UV and hydrolytic environments, etc.). End-of-life regulations may require fluorine-free backsheet products in future global markets. Parametrized equation predicting the service life of backsheets, and validated by both lab and outdoor extensive testing. Technical and commercial confidence to the entire value chain: from backsheet and module manufacturers to the downstream community (IPP, banks, developers) that materials of higher quality can help reduce finance costs, therefore driving down LCOE. A fast track PV module market adaptation for novel high-quality materials, such as co-extruded polyolefin-core backsheets, by obtaining unbiased durability data.

14 SOLAR ENERGY↗
DOE OSTI2021

Finite-size correction for slab supercell calculations of materials with spontaneous polarization

Abstract The repeated slab approach has become a de facto standard to accurately describe surface properties of materials by density functional theory calculations with periodic boundary conditions. For materials exhibiting spontaneous polarization, we show that the conventional scheme of passivation with pseudo hydrogen is unable to realize a charge-neutral surface. The presence of a net surface charge induces via Gauss’s law a macroscopic electric field through the slab and results in poor size convergence with respect to the thickness of the slab. We propose a modified passivation method that accounts for the effect of spontaneous polarization, describes the correct bulk limits and boosts convergence with respect to slab thickness. The robustness, reliability, and superior convergence of energetics and electronic structure achieved by the proposed method are demonstrated using the example of polar ZnO surfaces.

Chemistry↗
DOE OSTI2022

Probing charge density in materials with atomic resolution in real space

The charge distribution in materials at the nanoscale can often explain the origin of macroscopic properties such as localized conductivity or the plasmonic response and illuminate more fundamental changes in the microscopic structure such as changes in chemical bonding characteristics. Previously, direct visualization of the charge density with high spatial resolution was often a missing link in the formation of structure–property relationships, especially in heterogeneous materials systems. Furthermore, recent advancements in microscopy technology have enabled researchers to visualize the charge distribution in materials down to subatomic length scales. In this Technical Review, we discuss the developments in high-resolution real-space charge distribution imaging using diffraction techniques and electron microscopy, with a focus on the recent advancement of four-dimensional scanning transmission electron microscopy, electron holography, and applications to materials interfaces.

Electronic properties and materials↗
DOE OSTI2024

Reproducibility in materials informatics: lessons from ‘A general-purpose machine learning framework for predicting properties of inorganic materials’

The integration of machine learning techniques in materials discovery has become prominent in materials science research and has been accompanied by an increasing trend towards open data and open-source tools to propel the field. Despite the increasing usefulness and capabilities of these tools, developers neglecting to follow reproducible practices presents a significant barrier for other researchers looking to use or build upon their work. In this study, we investigate the challenges encountered while attempting to reproduce a section of the results presented in “A general-purpose machine learning framework for predicting properties of inorganic materials.” Our analysis identifies four major categories of challenges: (1) reporting software dependencies, (2) recording and sharing version logs, (3) sequential code organization, and (4) clarifying code references within the manuscript. The result is a proposed set of tangible action items for those aiming to make material informatics tools accessible to, and useful for the community.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Thermal, mechanical, and electrical properties of LSCo/mullite composite contact materials for solid oxide fuel cells

Lanthanum strontium cobaltite (LSCo) is considered as a good candidate cathode contact material for solid oxide fuel cells, due to high electrical conductivity. However, LSCo has a very large coefficient of thermal expansion (CTE) than the cells and metallic interconnects. As a result, poor mechanical stability is expected during thermal cycling. To minimize the CTE mismatch, we investigate a composite approach involving mixing LSCo with an inert material of low CTE, such as mullite at volume fractions from 0.1 to 0.4. Composite’s CTE shows a decreasing trend with increasing mullite volume fractions, and is consistent with model predictions. X-ray powder diffraction analysis of sintered LSCo/mullite composites exhibits no presence of other phases for samples aged for 500h at 800oC, indicating chemical compatibility. Electrical conductivity by a 4-pt method shows a decreasing trend with increasing mullite content. Contact strength of as-sintered and thermally cycled samples show that only the composite with 0.4 volume fraction has a measurable strength; the other composites have no strength. Overall, the composite approach is demonstrated in the LSCo/mullite system to lower the CTE and hence achieve thermal cycle stability. The addition of the inert phase to the LSCo matrix; however, also reduces the electrical conductivity.

Contact materials, LSCo, mullite, CTE, electrical ↗
DOE OSTI2024

Securing Critical Materials for the U.S. Electric Vehicle Industry: A Landscape Assessment of Domestic and International Supply Chains for Five Key Battery Materials

This study explores the prospective supply of upstream critical materials, providing insights into the U.S.'s capacity to meet its Electric Vehicle (EV) and Energy Storage System (ESS) deployment targets for 2035. It evaluates the proportion of critical materials demand that can be met by domestic upstream sources and the amount that will require non-U.S. sources. The analysis considers geological resources and current international development activities, contributing to the understanding of mineral supply security as the global community strives for net-zero emissions by 2050. The study focuses on five materials assessed in the 2023 DOE Critical Materials Assessment – Lithium, Nickel, Cobalt, Graphite, and Manganese.

33 ADVANCED PROPULSION SYSTEMS↗