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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

From n- to p-type material: Effect of Metal Ion on Charge Transport in Metal-Organic Materials

An intriguing new class of two-dimensional (2D) materials based on metal–organic frameworks (MOFs) has recently been developed that displays electrical conductivity, a rarity among these nanoporous materials. The emergence of conducting MOFs raises questions about their fundamental electronic properties, but few studies exist in this regard. Here, we present an integrated theory and experimental investigation to probe the effects of metal substitution on the charge transport properties of M-HITP, where M = Ni or Pt and HITP = 2,3,6,7,10,11-hexaiminotriphenylene. The results show that the identity of the M-HITP majority charge carrier can be changed without intentional introduction of electronically active dopants. We observe that the selection of the metal ion substantially affects charge transport. Using the known structure, Ni-HITP, we synthesized a new amorphous material, a-Pt-HITP, which although amorphous is nevertheless found to be porous upon desolvation. Importantly, this new material exhibits p-type charge transport behavior, unlike Ni-HITP, which displays n-type charge transport. These results demonstrate that both p- and n-type materials can be achieved within the same MOF topology through appropriate choice of the metal ion.

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

Li 8 MnO 6 : A Novel Cathode Material with Only Anionic Redox

In Li-excess transition-metal-oxide cathode materials, anionic oxygen redox can offer high capacity and high voltages, although peroxo and superoxo species may cause oxygen loss, poor cycling performance, and capacity fading. Previous work showed that undesirable formation of peroxide and superoxide bonds is controlled to some extent by Mn substitution, and the present work uses density functional calculations to examine the reasons for this by studying the anionic redox mechanism Li 8 MnO 6 . This material is obtained by substituting Mn for Sn in Li 8 SnO 6 or for Zr in Li 8 ZrO 6 , and we also compare to previous work on those materials. The calculations predict that Li 8 MnO 6 is stable at room temperature (with a band gap of 3.19 eV as calculated HSE06 and 1.82 eV as calculated with the less reliable with PBE+U), and they elucidate the chemical and structural effects involved in the inhibition of oxygen release in this cathode. Throughout the whole delithiation process, only O 2- ions are oxidized. The directional Mn-O bonds formed from unfilled 3d orbitals effectively inhibit the formation of O-O bonds, and the layered structure is maintained even after removing 3 Li per Li 8 MnO 6 formula unit. The calculated average voltage for removal of 3 Li is 3.69 V by HSE06, and the corresponding capacity is 389 mAh/g. The high voltage of oxygen anionic redox and the high capacity result in a high energy density of 1436 Wh/kg. The Li-ion diffusion barrier for the dominant interlayer diffusion path along the c-axis is 0.57 eV by PBE+U. Finally, these results help us to understand the oxygen redox mechanism in a new lithium-rich Li 8 MnO 6 cathode material and contribute to the design of high-energy-density lithium-ion-battery cathode materials with favorable electrochemical properties based on anionic oxygen redox.

Li8MnO6↗
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.↗
NASA NTRS1987

Materials property definition and generation for carbon-carbon and carbon phenolic materials

A data base program to generate statistically significant material-property data for carbon-carbon and carbon phenolic materials to be used in designs of Space Shuttle is described. The program, which will provide data necessary for thermal and stress modeling of Shuttle nozzle and exit cone structures, includes evaluation of tension, compression, shear strength, shear modulus, thermal expansion, thermal conductivity, permeability, and emittance for both materials; the testing of carbon phenolic materials also includes CTE, off-gassing, pyrolysis, and RTG. Materials to be tested will be excised from Space Shuttle inlet, throat, and exit cone billets and modified involute carbon-carbon exit cones; coprocessed blocks, panels, and cylinders will also be tested.

Canfield, A. R.↗
NASA NTRS1993

Flight-vehicle materials, structures, and dynamics - Assessment and future directions. Vol. 4 - Tribological materials and NDE

The present volume on tribological materials and NDE discusses liquid lubricants for advanced aircraft engines, a liquid lubricant for space applications, solid lubricants for aeronautics, and thin solid-lubricant films in space. Attention is given to the science and technology of NDE, tools for an NDE engineering base, experimental techniques in ultrasonics for NDE and material characterization, and laser ultrasonics. Topics addressed include thermal methods of NDE and quality control, digital radiography in the aerospace industry, materials characterization by ultrasonic methods, and NDE of ceramics and ceramic composites. Also discussed are smart materials and structures, intelligent processing of materials, implementation of NDE technology on flight structures, and solid-state weld evaluation.

Fusaro, Robert L.↗
NASA NTRS2004

Material Modeling of Space Shuttle Leading Edge and External Tank Materials For Use in the Columbia Accident Investigation

Upon the commencement of the analytical effort to characterize the impact dynamics and damage of the Space Shuttle Columbia leading edge due to External Tank insulating foam, the necessity of creating analytical descriptions of these materials became evident. To that end, material models were developed of the leading edge thermal protection system, Reinforced Carbon Carbon (RCC), and a low density polyurethane foam, BX-250. Challenges in modeling the RCC include its extreme brittleness, the differing behavior in compression and tension, and the anisotropic fabric layup. These effects were successfully included in LS-DYNA Material Model 58, *MAT_LAMINATED_ COMPOSITE_ FABRIC. The differing compression and tension behavior was modeled using the available damage parameters. Each fabric layer was given an integration point in the shell element, and was allowed to fail independently. Comparisons were made to static test data and coupon ballistic impact tests before being utilized in the full scale analysis. The foam's properties were typical of elastic automotive foams; and LS-DYNA Material Model 83, *MAT_FU_CHANG_FOAM, was successfully used to model its behavior. Material parameters defined included strain rate dependent stress-strain curves for both loading and un-loading, and for both compression and tension. This model was formulated with static test data and strain rate dependent test data, and was compared to ballistic impact tests on load-cell instrumented aluminum plates. These models were subsequently utilized in analysis of the Shuttle leading edge full scale ballistic impact tests, and are currently being used in the Return to Flight Space Shuttle re-certification effort.

Carney, Kelly↗
NASA NTRS2003

Material-dependent and material-independent selection processes in the frontal and parietal lobes: an event-related fMRI investigation of response competition

The present study used the flanker task [Percept. Psychophys. 16 (1974) 143] to identify neural structures that support response selection processes, and to determine which of these structures respond differently depending on the type of stimulus material associated with the response. Participants performed two versions of the flanker task while undergoing event-related functional magnetic resonance imaging (fMRI). Both versions of the task required participants to respond to a central stimulus regardless of the responses associated with simultaneously presented flanking stimuli, but one used colored circle stimuli and the other used letter stimuli. Competition-related activation was identified by comparing Incongruent trials, in which the flanker stimuli indicated a different response than the central stimulus, to Neutral stimuli, in which the flanker stimuli indicated no response. A region within the right inferior frontal gyrus exhibited significantly more competition-related activation for the color stimuli, whereas regions within the middle frontal gyri of both hemispheres exhibited more competition-related activation for the letter stimuli. The border of the right middle frontal and inferior frontal gyri and the anterior cingulate cortex (ACC) were significantly activated by competition for both types of stimulus materials. Posterior foci demonstrated a similar pattern: left inferior parietal cortex showed greater competition-related activation for the letters, whereas right parietal cortex was significantly activated by competition for both materials. These findings indicate that the resolution of response competition invokes both material-dependent and material-independent processes.

Psychomotor Performance/physiology↗
NASA NTRS2004

Materials Characterization at Utah State University: Facilities and Knowledge-base of Electronic Properties of Materials Applicable to Spacecraft Charging

In an effort to improve the reliability and versatility of spacecraft charging models designed to assist spacecraft designers in accommodating and mitigating the harmful effects of charging on spacecraft, the NASA Space Environments and Effects (SEE) Program has funded development of facilities at Utah State University for the measurement of the electronic properties of both conducting and insulating spacecraft materials. We present here an overview of our instrumentation and capabilities, which are particularly well suited to study electron emission as related to spacecraft charging. These measurements include electron-induced secondary and backscattered yields, spectra, and angular resolved measurements as a function of incident energy, species and angle, plus investigations of ion-induced electron yields, photoelectron yields, sample charging and dielectric breakdown. Extensive surface science characterization capabilities are also available to fully characterize the samples in situ. Our measurements for a wide array of conducting and insulating spacecraft materials have been incorporated into the SEE Charge Collector Knowledge-base as a Database of Electronic Properties of Materials Applicable to Spacecraft Charging. This Database provides an extensive compilation of electronic properties, together with parameterization of these properties in a format that can be easily used with existing spacecraft charging engineering tools and with next generation plasma, charging, and radiation models. Tabulated properties in the Database include: electron-induced secondary electron yield, backscattered yield and emitted electron spectra; He, Ar and Xe ion-induced electron yields and emitted electron spectra; photoyield and solar emittance spectra; and materials characterization including reflectivity, dielectric constant, resistivity, arcing, optical microscopy images, scanning electron micrographs, scanning tunneling microscopy images, and Auger electron spectra. Further details of the instrumentation used for insulator measurements and representative measurements of insulating spacecraft materials are provided in other Spacecraft Charging Conference presentations. The NASA Space Environments and Effects Program, the Air Force Office of Scientific Research, the Boeing Corporation, NASA Graduate Research Fellowships, and the NASA Rocky Mountain Space Grant Consortium have provided support.

Dennison, J. R.↗
NASA NTRS2017

NASA's Advanced TPS Materials and Technology Development: Multi-Functional Materials and Systems for Space Exploration

NASA's future missions will be more demanding. They require materials to be mass efficient, robust, multi-functional, scalable and able to be integrated with other subsystems to enable innovative missions to accomplish future science missions. Thermal protection systems and materials (TPSM) are critical for the robotic and human exploration of the solar system when it involves entry. TPSM is a single string system with no back-up. Mass efficiency and robustness are required. Integration of TPSM with the aeroshell is both a challenge and an opportunity. Since 2010, NASA's Space Technology Mission Directorate has invested in innovative new materials and systems across a spectrum of game changing technologies. In this keynote address, we plan to highlight and present our successful approaches utilized in developing four different materials and system technologies that use innovative new manufacturing techniques to meet mission needs. 3-D weaving and felt manufacturing allowed us to successfully propose new ways of addressing TPSM challenges. In the 3-D MAT project, we developed and delivered a multi-functional TPS materials solution, in under three years that is an enabler for Lunar Capable Orion Spacecraft. Under the HEEET project, we are developing a robust heat-shield that can withstand extreme entry conditions, both thermally and mechanically, for entry at Venus, Saturn or higher speed sample return missions. The improved efficiency of HEEET allows science missions entry at much reduced G'loads enabling delicate science instruments to be used. The ADEPT concept is a foldable and deployable entry system and the critical component is a multi-functional fabric that is foldable and deployable and also functions as a mechanical aeroshell and a TPS. The fourth technology we will highlight involves felt to address integration challenges of rigid ablative system such as PICA that was used on MSL. The felt technology allows us to develop a compliant TPS for easy integration. The above four technology developments have focused on mission infusion as the success criteria. These technologies are in different stages of mission infusion. These innovations have led to new mission concepts to be proposed in the future. In our keynote address we will present approaches we have employed throughout the project to create the bridge to transition from low TRL to mission infusion and to overcome the traditional TRL valley of death.

TPS↗
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↗