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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Using Molecular Structure to Tune Intrachain and Interchain Charge Transport in Indacenodithiophene-Based Copolymers

Here, in this work, we compare two structurally near-amorphous rigid-rod polymers-poly(indacenodithiophene-co-benzothiadiazole), p(IDT-BT), and poly(indacenodithiophene-co-benzopyrollodione), p(IDT-BPD)-with orders of magnitude different mobilities to understand the effect charge carrier intrachain delocalization has on electronic transport. Quantum chemical calculations show that p(IDT-BPD) has a barrier to torsion that is significantly lower than that of p(IDT-BT) and is thus more likely to have reduced conjugation lengths. We utilize absorption and photoluminescence spectroscopy to characterize energetic disorder and show that p(IDT-BPD) has higher energetic disorder. Charge modulation spectroscopy (CMS) and model calculations are used to show that charge carriers are substantially delocalized in p(IDT-BT) and occupy near-uniform energetic environments. We find that mobility activated hopping barriers are similar in these two materials. Electronic structure calculations show that both intrachain and interchain couplings of monomer units are poor enough in p(IDT-BPD) that charge carriers collapse to single IDT units and transport via a through-space tunneling mechanism. This work highlights the remarkable charge transport properties of p(IDT-BT) by showing that high mobilities are achievable on device-relevant length scales with only 1D carrier delocalization.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Universal Approach for the Depolymerization of Polyamides via Photothermal Conversion

Polyamides (PAs) exhibit excellent chemical stability and mechanical resistance, yet these same characteristics lead to their widespread accumulation in the environment as pollution. In this work, we developed an inclusive and operationally simple photothermal strategy to recycle PAs, overcoming the high energy barriers necessary to break down these materials. PAs can be depolymerized using photothermally mediated ring-closing depolymerization and acidic hydrolysis to afford cyclic and linear monomers using carbon black as a photothermal agent (PTA) under visible light irradiation. We showed that polyamide 6 is efficiently depolymerized to ε-caprolactam with 74% yield in 10 min. Similarly, in 1 h, the photothermal acidic hydrolysis of polyamide 6,6 afforded hexamethylene diamine and adipic acid with 97 and 96% yields, respectively. This method was further applied to a variety of aliphatic and aromatic PAs and mixed PA waste. Both photothermally promoted processes effectively depolymerize pigment-containing postconsumer waste by leveraging existing black pigments as PTAs. Here, photothermal conversion provided a general and rapid route for PA depolymerization under visible light irradiation, enabling high monomer yields with inexpensive reagents and a general tolerance to additives, demonstrating this approach’s potential for a circular plastic economy.

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

The growth and nanothermite reaction of 2Al/3NiO multilayer thin films

Nanothermite NiO–Al is a promising material system for low gas emission heat sources; still, its reactive properties are highly dependent on material processing conditions. In the current study, sputter deposition is used to fabricate highly controlled nanolaminates comprised of alternating NiO and Al layers. Films having an overall stoichiometry of 2Al to 3NiO were produced with different bilayer thicknesses to investigate how ignition and self-sustained, high temperature reactions vary with changes to nanometer-scale periodicity and preheat conditions. Ignition studies were carried out with both hot plate and laser irradiation and compared to slow heating studies in hot-stage x-ray diffraction. Ignition behavior has bilayer thickness and heating rate dependencies. The 2Al/3NiO with λ ≤ 300 nm ignited via solid/solid diffusion mixing (activation energy, E a = 49 ± 3 kJ/mole). Multilayers having λ ≥ 500 nm required a more favorable mixing kinetics of solid/liquid dissolution into molten Al (E a = 30 ± 4 kJ/mole). This solid/liquid dissolution E a is a factor of 5 lower than that of the previously reported powder compacts due to the elimination of a passivating Al oxide layer present on the powder. The reactant mixing mechanism between 300 and 500 nm bilayer thicknesses was dependent on the ignition source's heating rate. The self-propagating reaction velocities of 2Al/3NiO multilayers varied from 0.4 to 2.5 m/s. Pre-heating nanolaminates to temperatures below the onset reaction temperatures associated with forming intermediate nickel aluminides at multilayer interfaces led to increased propagation velocities, whereas pre-heating samples above the onset temperatures inhibited subsequent attempts at laser ignition.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Wide bandgap semiconductor materials and devices

The technological and societal impacts of electronic devices based on Ge, Si, and compound semiconductors like GaAs have been profound, fueling the decades long quest in identifying ever-larger bandgap semiconductors to untap new applications and possibilities. Specifically, an increase in the bandgap leads to shorter wavelength emission and an increased breakdown electric field, which has direct consequences for solid-state lighting like light-emitting diodes (LEDs) and laser diodes (LDs) from the visible (blue-green, blue, and violet) and beyond (UV and deep-UV) spectral range and for radically improved power devices supported by a higher intrinsic breakdown strength. Wide bandgap (WBG) semiconductors represent the frontier of materials that satisfy these criteria and include group IV, III–V, and II–VI material families like SiC (3.2 eV), GaN (3.4 eV), and ZnO (3.4 eV), respectively. With even larger bandgaps exceeding 4 eV, ultrawide bandgap (UWBG) semiconductors include diamond, III-nitrides incorporating Al and B (e.g., AlN, BN, and AlGaN), and sesquioxides like Ga 2 O 3 and (Al,Ga) 2 O 3 . These materials span widely varying stages of technological maturity, with SiC and GaN platforms among the most mature with commercially available devices in RF and high-power electronics, while other platforms such as Ga 2 O 3 rapidly advancing and poised to enable new UV and deep-UV optoelectronic devices. This Special Topic on Wide Bandgap Semiconductor Materials and Devices covers broad research subtopics on WBG and UWBG materials that span bulk crystals, epitaxy and substrate technologies, fundamental defect science, and doping, as well as electronic and optoelectronic device fabrication and characterization. Here, we highlight works from the collection, which we categorize by material platform of SiC, III-nitrides, and Ga 2 O 3 and related alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Natural formation of linear defect structures in MoS 2

Near surface defects can significantly impact the quality of metallic interconnects and other interfaces necessary to create device structures incorporating two-dimensional materials. Furthermore, the impact of such defects can strongly depend on their organization. In this study, we present scanning tunneling microscopy images and tunneling spectroscopy of point and linear defects near the surface of natural MoS 2 . The point defects share similar structural and electronic characteristics and occur with comparable frequency as subsurface sulfur vacancies observed previously on natural MoS 2 . The linear defects observed here occur less frequently than the point defects but share the same depth profile and electronic structure. These data indicate that the linear defects are actually a one-dimensional organization of subsurface sulfur vacancies. Our density functional calculations agree with this assessment in that, for sufficient local defect concentrations, it is energetically more favorable for the defects to be organized in a linear fashion rather than as clusters or even isolated single point defects. Given these measurements were taken from naturally formed MoS 2 , this organization likely occurs during crystal formation. Considering the impact of one-dimensional organization on the local properties of layered materials, and the potential for them to be introduced purposefully during crystal formation, research into the formation mechanism and properties of these defects could enable new paths for defect engineering in MoS 2 -based systems.

2D materials↗
DOE OSTI2023

Intra-molecular coupling within double-segmented molecules impacting magnetic tunnel junction-based molecular spintronics devices

The intra-molecular coupling within multiple units of paramagnetic molecules can produce various effects on molecular spintronics devices (MSD). Here, this paper focuses on double-segmented molecules as the device element to advance understanding of the Impact of internal molecular structure on magnetic tunnel junction-based MSD (MTJMSD). We performed Monte Carlo simulations (MCS) to fill the knowledge gap about the intramolecular coupling role in the magnetic properties of the MTJMSD. This study explored a double-segmented molecule containing two atomic sections, each with a net spin state interacting via Heisenberg exchange coupling within molecules and with ferromagnetic electrodes at different thermal energies, magnetic fields, and coupling strengths. This study also investigated the effect of magnetic field on the double-segmented molecule-based cross-junction-shaped MTJMSD. We also compared the effect of the magnetic field on the mono and double-segmented molecules when connected to two ferromagnetic electrodes. In the strong coupling regime, the intramolecular coupling and molecule coupling with the two ferromagnetic electrodes dominated the MTJMSD response near the molecular junction area. This study provides insight for evaluating the impact of molecular nanostructure internal connectedness on the integrated MSD.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Phase-Field Modeling of Damage Evolution in Ceramic Matrix Composite (CMC) and Environmental Barrier Coating (EBC)

Ceramic matrix composites (CMCs) protected by environmental barrier coatings (EBCs) present a promising materials solution for next generation gas turbines. Developments of more robust and efficient EBCs and mechanically tougher CMCs are thus of significant technological importance. Here we develop a phase-field modeling framework that incorporates the thermally grown oxide (TGO), recognized as a critical factor for degradation and failure of EBCs. We simulate crack growth in the TGO and the potential extension into the bond coat / CMC substrate. The model efficiently takes account of the large inelastic deformation induced by the severe volume expansion of TGO, thanks to our recently developed, so-called incremental realization of inelastic deformation (IRID) algorithm. A phase-field model is built for damage evolution in CMCs including crack growth and interfacial sliding. The effects of fiber layout and interfacial sliding on the macroscopic toughness of CMCs are revealed by large-scale simulations and compared to experiments.

advanced energy systems and materials↗
DOE OSTI2022

Novel Ultrafast Lu2O3:Yb Ceramics for Future HEP Applications

Inorganic scintillators activated by charge transfer luminescence Yb3+ are considered promising ultrafast material to break the ps timing barrier for future high energy physics applications. Inorganic scintillators in ceramic form are potentially more cost-effective than crystals because of their lower fabrication temperature and no need for aftergrowth mechanical processing. This paper reports an investigation on Lu2O3:Yb and Lu2xY2(1−x)O3:Yb scintillating ceramic samples fabricated by Radiation Monitoring Devices Inc. All samples show X-ray excited luminescence peaked at 370 nm. Ultrafast decay time of 1.1 ns was observed by using a microchannel plate-photomultiplier tube-based test bench at Caltech. Considering its intrinsic high density (9.4 g/cm3), Lu2O3:Yb ceramics are promising for future time of fight application for high energy physics experiments.

47 OTHER INSTRUMENTATION↗
NASA NTRS1978

TACT1, a computer program for the transient thermal analysis of a cooled turbine blade or vane equipped with a coolant insert. 1. Users manual

A computer program to calculate transient and steady state temperatures, pressures, and coolant flows in a cooled, axial flow turbine blade or vane with an impingement insert is described. Coolant side heat transfer coefficients are calculated internally in the program, with the user specifying either impingement or convection heat transfer at each internal flow station. Spent impingement air flows in a chordwise direction and is discharged through the trailing edge and through film cooling holes. The ability of the program to handle film cooling is limited by the internal flow model. Sample problems, with tables of input and output, are included in the report. Input to the program includes a description of the blade geometry, coolant supply conditions, outside thermal boundary conditions, and wheel speed. The blade wall can have two layers of different materials, such as a ceramic thermal barrier coating over a metallic substrate. Program output includes the temperature at each node, the coolant pressures and flow rates, and the inside heat-transfer coefficients.

Gaugler, R. E.↗
NASA NTRS1979

TACT 1: A computer program for the transient thermal analysis of a cooled turbine blade or vane equipped with a coolant insert. 2. Programmers manual

A computer program to calculate transient and steady state temperatures, pressures, and coolant flows in a cooled axial flow turbine blade or vane with an impingement insert is described. Coolant-side heat transfer coefficients are calculated internally in the program, with the user specifying either impingement or convection heat transfer at each internal flow station. Spent impingement air flows in a chordwise direction and is discharged through the trailing edge and through film cooling holes. The ability of the program to handle film cooling is limited by the internal flow model. Input to the program includes a description of the blade geometry, coolant-supply conditions, outside thermal boundary conditions, and wheel speed. The blade wall can have two layers of different materials, such as a ceramic thermal barrier coating over a metallic substrate. Program output includes the temperature at each node, the coolant pressures and flow rates, and the coolant-side heat transfer coefficients.

Gaugler, R. E.↗
NASA NTRS1982

The optimization of aircraft seat cushion fire-blocking layers. Full Scale: Test description and results

Full-scale burn tests were conducted on thirteen different seat cushion configurations in a cabin fire simulator. The fire source used was a quartz lamp radiant energy panel with a propane pilot flame. During each test, data were recorded for cushion temperatures, radiant heat flux, rate of weight loss of test specimens, and cabin temperatures. When compared to existing passenger aircraft seat cushions, the test specimens incorporating a fire barrier and those fabricated from advance materials, using improved construction methods, exhibited significantly greater fire resistance.

Schutter, K. J.↗
NASA NTRS1984

Composites for large transports - Facing the challenge

NASA has undertaken development and test programs in collaboration with the large transport aircraft construction industry, in order to remove existing barriers to the use of composite material primary structures and to assess their advantages in terms of both acquisition cost and mission performance. These programs are expected to reach design technology readiness for wing and fuselage structures by 1988, paving the way for the validation of design and manufacturing methods in the early 1990s. While composites promise a reduction in fuselage manufacturing costs, it is judged that the relative cost of a metallic wing will be more difficult to surpass. Nevertheless, a 40 percent wing weight saving may more than compensate for increased wing structure cost.

Bohon, H. L.↗
NASA NTRS1990

Fueling active galactic nuclei by magnetic braking

Recent detections of massive concentrations of molecular gas near the centers of galaxies hosting active nuclei suggest that these concentrations may be the source of accretion fuel for the nucleus. However, for that to be true, an angular momentum barrier must be overcome before the material in such a cloud can reach the nucleus. It is suggested that magnetic braking of the cloud may remove sufficient angular momentum to permit its material to draw considerably closer to the central object. The mechanism is particularly effective in the limit that the gas becomes self-gravitating because removal of a fraction of the initial angular momentum can lead to dynamical instability and collapse. Any small misalignment between the initial rotation axis of the cloud and the rotation axis of the galaxy can be substantially amplified as a result of the braking. It is argued that mass accretion onto the central object may occur in episodes, in some cases with a constant mass accretion rate during each episode.

Krolik, Julian H.↗
NASA NTRS1994

Heat Pipe With Interrupted Slot

Newer version of heat pipe slot interrupted by plug or, if heat pipe is cast, by bridge of heat-pipe material cast integrally across groove. Small barrier assists in priming heat pipe. Vapor and noncondensible gas still accumulates in liquid channel at evaporator before or during startup, but barrier keeps liquid out of small part of slot at bubble. Dry part of slot allows bubble to escape into vapor channel, making room for liquid to move in during startup.

Brown, Richard F.↗
NASA NTRS1996

Cost Models for MMC Manufacturing Processes

Processes for the manufacture of advanced metal matrix composites are rapidly approaching maturity in the research laboratory and there is growing interest in their transition to industrial production. However, research conducted to date has almost exclusively focused on overcoming the technical barriers to producing high-quality material and little attention has been given to the economical feasibility of these laboratory approaches and process cost issues. A quantitative cost modeling (QCM) approach was developed to address these issues. QCM are cost analysis tools based on predictive process models relating process conditions to the attributes of the final product. An important attribute, of the QCM approach is the ability to predict the sensitivity of material production costs to product quality and to quantitatively explore trade-offs between cost and quality. Applications of the cost models allow more efficient direction of future MMC process technology development and a more accurate assessment of MMC market potential. Cost models were developed for two state-of-the art metal matrix composite (MMC) manufacturing processes: tape casting and plasma spray deposition. Quality and Cost models are presented for both processes and the resulting predicted quality-cost curves are presented and discussed.

Elzey, Dana M.↗
NASA NTRS2007

Effect of an Opaque Reflecting Layer on the Thermal Behavior of a Thermal Barrier Coating

A parametric study using a two-flux approximation of the radiative transfer equation was performed to examine the effects of an opaque reflective layer on the thermal behavior of a typical semitransparent thermal barrier coating on an opaque substrate. Some ceramic materials are semitransparent in the wavelength ranges where thermal radiation is important. Even with an opaque layer on each side of the semitransparent thermal barrier coating, scattering and absorption can have an effect on the heat transfer. In this work, a thermal barrier coating that is semitransparent up to a wavelength of 5 micrometers is considered. Above 5 micrometers wavelength, the thermal barrier coating is opaque. The absorption and scattering coefficient of the thermal barrier was varied. The thermal behavior of the thermal barrier coating with an opaque reflective layer is compared to a thermal barrier coating without the reflective layer. For a thicker thermal barrier coating with lower convective loading, which would be typical of a combustor liner, a reflective layer can significantly decrease the temperature in the thermal barrier coating and substrate if the scattering is weak or moderate and for strong scattering if the absorption is large. The layer without the reflective coating can be about as effective as the layer with the reflective coating if the absorption is small and the scattering strong. For low absorption, some temperatures in the thermal barrier coating system can be slightly higher with the reflective layer. For a thin thermal barrier coating with high convective loading, which would be typical of a blade or vane that sees the hot sections of the combustor, the reflective layer is not as effective. The reflective layer reduces the surface temperature of the reflective layer for all conditions considered. For weak and moderate scattering, the temperature of the TBC-substrate interface is reduced but for strong scattering, the temperature of the substrate is increased slightly.

Spuckler, Charles M.↗