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At least 343 records · Page 19

All sources NASA NTRS DOE OSTI

DOE OSTI2024

Fundamental optical transitions in hexagonal boron nitride epilayers

Fundamental optical transitions in hexagonal boron nitride (h-BN) epilayers grown on sapphire by metal–organic chemical vapor deposition (MOCVD) using triethylboron as the boron precursor have been probed by photoluminescence (PL) emission spectroscopy. The low temperature (10 K) PL spectrum exhibits two groups of emission lines. The first group includes the direct observation of the free exciton and impurity bound exciton (BX) transitions and phonon replicas of the BX transition, whereas the second group is attributed to the direct observation of the band-to-band transition and its associated phonon replicas. The observations of zero-phonon lines of the band-to-band and exciton transitions, which are supposedly forbidden or “dark” in perfect h-BN crystals, result from a relaxed requirement of momentum conservation due to symmetry-breaking in the presence of high concentrations of impurities/defects and strain, which in turn provided more deterministic values of the energy bandgap (E g ), exciton binding energy (E x ), and binding energy of impurity bound excitons (E BX ) in h-BN epilayers. Excitonic parameters of h-BN epilayers grown by MOCVD, carbon-free chemical vapor deposition, and high purity h-BN bulk materials are compared and discussed. The present results, together with available information in the literature, represent a significant improvement in the understanding of the fundamental optical properties and excitonic parameters of h-BN ultrawide bandgap semiconductors.

36 MATERIALS SCIENCE↗

NASA NTRS1975

Sublimation behavior of silicon nitride /Si3N4/ coated silicon germanium /SiGe/ unicouples

For the Multi-Hundred Watt (MHW) Radioisotope Thermoelectric Generator (RTG), the silicon germanium unicouples are coated with silicon nitride to minimize degradation mechanisms which are directly attributable to material sublimation effects. A program is under way to determine the effective vapor suppression of this coating as a function of temperature and gas environment. The results of weight loss experiments, using Si3N4 coated hot shoes (SiMo), operating over a temperature range from 900 C to 1200 C, are analyzed and discussed. These experiments were conducted both in high vacuum and at different pressures of carbon monoxide (CO) to determine its effect on the coating. Although the results show a favorable vapor suppression at all operating temperatures, the pressure of the CO and the thickness of the coating have a decided effect on the useful lifetime of the coating.

Stapfer, G.↗

NASA NTRS2015

A Numerical Solution Routine for Investigating Oxidation-Induced Strength Degradation Mechanisms in SiC/SiC Composites

The stress rupture strength of silicon carbide fiber-reinforced silicon carbide (SiCSiC) composites with a boron nitride (BN) fiber coating decreases with time within the intermediate temperature range of 700-950 C. Various theories have been proposed to explain the cause of the time dependent stress rupture strength. Some previous authors have suggested that the observed composite strength behavior is due to the inherent time dependent strength of the fibers, which is caused by the slow growth of flaws within the fibers. Flaw growth is supposedly enabled by oxidation of free carbon at the grain boundaries. The objective of this paper is to investigate the relative significance of the various theories for the time-dependent strength of SiCSiC composites. This is achieved through the development of a numerically-based progressive failure analysis routine and through the application of the routine to simulate the composite stress rupture tests. The progressive failure routine is a time marching routine with an iterative loop between a probability of fiber survival equation and a force equilibrium equation within each time step. Failure of the composite is assumed to initiate near a matrix crack and the progression of fiber failures occurs by global load sharing. The probability of survival equation is derived from consideration of the strength of ceramic fibers with randomly occurring and slow growing flaws as well as the mechanical interaction between the fibers and matrix near a matrix crack. The force equilibrium equation follows from the global load sharing presumption. The results of progressive failure analyses of the composite tests suggest that the relationship between time and stress-rupture strength is attributed almost entirely to the slow flaw growth within the fibers. Although other mechanisms may be present, they appear to have only a minor influence on the observed time dependent behavior.

degradation↗

NASA NTRS1982

Nitridation of Si(111) by nitrogen atoms. II

The reaction between Si(111) and nitrogen atoms has been investigated by LEED, Auger, and electron energy loss (ELS) techniques. The early stage of the reaction at 850-1050 C involves the formation of a chemically reacted monolayer which grows in islands. The sticking coefficient for the submonolayer is estimated to be of the order of unity. Two electronically different surface structures can be formed during these stages, yielding the '8 x 8' and the quadruplet LEED patterns; the quadruplet unit cell is the one with the highest nitrogen density. A pure quadruplet structure is obtained from samples with a carbon contamination of the Si monolayer of about 5 pct. During the multilayer stages, the influence of the substrate is not as important, and the reactions at 850 C and above produce quadruplet-like local structures.

Schrott, A. G.↗

DOE OSTI2025

Optimizing microfluidic flow cell geometry for in situ resonant soft X-ray characterization of molecular nanostructures

Liquid-phase resonant soft X-ray scattering (LP-RSoXS) is an emerging label-free technique to probe chemically resolved nanostructures of molecular or hybrid materials in liquid environments. Still, quantitative analysis is hindered by the pressure-induced deformation of thin silicon nitride (SiN) membranes used as windows in microfluidic flow cells, which attenuates the signal in nonlinear ways, making experimental optimization difficult. Here, in this work, we directly characterize this deformation under experimental conditions for a variety of cell configurations. We use this to develop a predictive model that combines transmission effects of SiN bowing, incident X-ray beam profiles, and material-dependent resonant scattering cross sections to simulate the effective scattering intensity at the detector across the carbon K-edge. Maps of the total signal across the flow cell window reveal that increasing the window width and polymer concentration shifts the anisotropic intensity distributions from the center toward the edges of the window. It was determined that an optimal SiN thickness of 50 nm, with a window aperture of 104 μm, maximizes the total signal for typical solute concentrations and energies across the carbon K-edge. Our results overturn the assumption that corner regions dominate the scattering signal, offering explicit design guidelines for maximizing LP-RSoXS signals and significantly advancing the quantitative application of this technique to the characterization of molecular and hybrid nanostructured materials in liquids.

Grabner, Devin [Washington State Univ., Pullman, W↗

DOE OSTI2023

Effect of environmental screening and strain on optoelectronic properties of two-dimensional quantum defects

Point defects in hexagonal boron nitride (hBN) are promising candidates as single-photon emitters (SPEs) in nanophotonics and quantum information applications. The precise control of SPEs requires in-depth understanding of their optoelectronic properties. However, how the surrounding environment of host materials, including the number of layers, substrates, and strain, influences SPEs has not been fully understood. Here, in this work, we study the dielectric screening effect due to the number of layers and substrates, and the strain effect on the optical properties of carbon dimer and nitrogen vacancy defects in hBN from first-principles many-body perturbation theory. We report that environmental screening causes a lowering of the quasiparticle gap and exciton binding energy, leading to nearly constant optical excitation energy and exciton radiative lifetime. We explain the results with an analytical model starting from the Bethe–Salpeter equation Hamiltonian with Wannier basis. We also show that optical properties of quantum defects are largely tunable by strain with highly anisotropic response, in good agreement with experimental measurements. Our work clarifies the effect of environmental screening and strain on optoelectronic properties of quantum defects in two-dimensional insulators, facilitating future applications of SPEs and spin qubits in low-dimensional systems.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Assessment of minnealloy fabrication via three routes

Transformer cores exhibiting higher operating power and improved efficiency are of great interest to electrical utilities, industry, and the de-carbonization effort. Minnealloy, α″-Fe16(C,N)2, a martensite made only of iron, nitrogen, and carbon, has shown the largest saturation magnetization of any soft ferromagnet, 250 emu/g, and tunable magnetocrystalline anisotropy. Given this represents a significant increase in power transferred per cycle compared to legacy transformer core materials, we investigate three novel, industrially scalable routes for fabricating Minnealloy. The martensite phase content is investigated for each route. Vibrating sample magnetometry is used to investigate the change in saturation magnetization and coercivity with respect to the relative content of the desired phase and other iron, iron-nitride, and iron oxide phase impurities. The relationship between structure and magnetic properties of bulk α″-Fe16(C,N)2 is investigated using LDA, PBE, and PBEsol exchange-correlation functionals within the frameworks of Hubbard-corrected density functional theory (DFT+U).

36 MATERIALS SCIENCE↗

DOE OSTI2025

Unveiling X-ray absorption signatures of boron nitride via first-principles simulation and machine learning

Boron nitride (BN) allotropes hold great promise in many advanced applications ranging from optical and photonic devices to energy storage and battery systems to tribological components. The diverse functionalities of this material stem from BN’s highly tunable structural and electronic properties, which are governed by the versatile boron–nitrogen bonding configurations. Exploring the structural landscape of BN can unveil novel structures possessing unique properties suited for specific applications, therefore accelerating the design of next-generation advanced functional materials. In this work, we leverage boron K-edge X-ray absorption spectroscopy (XAS) as an effective probe for local structural features and chemical environments. A total of 210 BN crystal structures are generated via analogies to the extensive array of carbon allotropes, and XAS is simulated for each unique local motif within the resulting collection of structures. A mapping between structural features and spectral signatures was established by synergizing first-principle simulations with data-driven based post-analysis approaches. Specifically, we developed a neural network model that can satisfactorily predict spectra line shapes from local structural descriptors. Toward automatic spectroscopic interpretation of any new BN structures, supervised machine learning models, trained on this structure–spectrum dataset, can accurately infer local coordination environments from simulated XAS, highlighting the strength of this unique approach of combining high-fidelity first-principles simulation and machine-learning to accelerate target design of novel BN materials via rational understanding of local structure-spectrum correlations.

36 MATERIALS SCIENCE↗

NASA NTRS2014

Chemical Sharpening, Shortening, and Unzipping of Boron Nitride Nanotubes

Boron nitride nanotubes (BNNTs), the one-dimensional member of the boron nitride nanostructure family, are generally accepted to be highly inert to oxidative treatments and can only be covalently modifi ed by highly reactive species. Conversely, it is discovered that the BNNTs can be chemically dispersed and their morphology modifi ed by a relatively mild method: simply sonicating the nanotubes in aqueous ammonia solution. The dispersed nanotubes are significantly corroded, with end-caps removed, tips sharpened, and walls thinned. The sonication treatment in aqueous ammonia solution also removes amorphous BN impurities and shortened BNNTs, resembling various oxidative treatments of carbon nanotubes. Importantly, the majority of BNNTs are at least partially longitudinally cut, or "unzipped". Entangled and freestanding BN nanoribbons (BNNRs), resulting from the unzipping, are found to be approximately 5-20 nm in width and up to a few hundred nanometers in length. This is the fi rst chemical method to obtain BNNRs from BNNT unzipping. This method is not derived from known carbon nanotube unzipping strategies, but is unique to BNNTs because the use of aqueous ammonia solutions specifi cally targets the B-N bond network. This study may pave the way for convenient processing of BNNTs, previously thought to be highly inert, toward controlling their dispersion, purity, lengths, and electronic properties.

Liao, Yunlong↗

DOE OSTI2022

Radiation-Hardened GaN HEMT and Cell Design, Modeling, and Fabrication for Nuclear Instrumentation Applications

Recent advances in nuclear power generation technologies show great promise for efficient, safe generation of carbon-free power in the near future. Consequently, many new generation reactor designs are being pursued by government and industry groups, including both fission- and fusion-based technologies. Radiation- and temperature-tolerant sensor technology continues to advance, yet development of the electronics/instrumentation technologies suitable for these environments have fallen behind. Industry has adequately addressed harsh environment electronics needs for low earth orbit satellites, but the much more extreme conditions associated with electronics placed near or in a reactor core remain unaddressed. This project investigates the use of gallium nitride (GaN) circuit technology to address the unique needs for sensor interface electronics and communications in reactor environments. This report provides a summary of the first year’s project activities related to developing and optimizing devices and circuits for this GaN high electronic mobility transistor (HEMT) process. Activities reported include multiple analog and digital circuit designs simulated using custom Verilog-A models generated from measured GaN devices fabricated in the target process. Digital circuit designs included fundamental logic circuits such as an inverter, NAND, NOR, AND and OR gates, as well as a 5-stage ring oscillator. Each design was simulated using an open-source SPICE simulator, and an integrated circuit layout was produced of each design for use in future fabrication. Analog circuit designs focused on the fundamental building blocks to be used to construct sensor interface and communications circuits. These included current mirrors, matched differential pairs, and a Gilbert cell mixer design, each with an associated integrated circuit layout. Layout tools used for these designs included two open-source packages—KLayout and Magic—which were customized for specific use with the OSU GaN process layers. Design rules and preliminary device extraction capabilities were built for the Magic tool to enable device extraction and subsequent netlist generation for SPICE simulation. Finally, future research directions for year two are summarized. When the year-two directions are implemented, the project will be in position to advance the state of the art in electronics for near- or in-reactor sensor interfacing and communications.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1985

Tribological properties of boron nitride synthesized by ion beam deposition

The adhesion and friction behavior of boron nitride films on 440 C bearing stainless steel substrates was examined. The thin films containing the boron nitride were synthesized using an ion beam extracted from a borazine plasma. Sliding friction experiments were conducted with BN in sliding contact with itself and various transition metals. It is indicated that the surfaces of atomically cleaned BN coating film contain a small amount of oxides and carbides, in addition to boron nitride. The coefficients of friction for the BN in contact with metals are related to the relative chemical activity of the metals. The more active the metal, the higher is the coefficient of friction. The adsorption of oxygen on clean metal and BN increases the shear strength of the metal - BN contact and increases the friction. The friction for BN-BN contact is a function of the shear strength of the elastic contacts. Clean BN surfaces exhibit relatively strong interfacial adhesion and high friction. The presence of adsorbates such as adventitious carbon contaminants on the BN surfaces reduces the shear strength of the contact area. In contrast, chemically adsorbed oxygen enhances the shear strength of the BN-BN contact and increases the friction.

Miyoshi, K.↗

NASA NTRS1985

Tribological properties of boron nitride synthesized by ion beam deposition

Miyoshi, K.↗

DOE OSTI2022

Zinc Titanium Nitride Semiconductor toward Durable Photoelectrochemical Applications

Not Available

30 DIRECT ENERGY CONVERSION↗

DOE OSTI2021

Strong effect of scandium source purity on chemical and electronic properties of epitaxial Sc x Al 1–x N/GaN heterostructures

Epitaxial multilayer heterostructures of Sc x Al 1–x N/GaN with Sc contents x = 0.11–0.45 are found to exhibit significant differences in structural quality, chemical impurity levels, and electronic properties depending on the starting Sc source impurity levels. A higher purity source leads to a 2–3 orders of magnitude reduction in the carbon, oxygen, and fluorine unintentional doping densities in MBE-grown Sc x Al 1–x N/GaN multilayers. Electrical measurements of Sc x Al 1–x N/n + GaN single heterostructure barriers show a 5–7 orders of magnitude reduction in the electrical leakage for films grown with a higher purity Sc source at most Sc contents. The measured chemical and electrical properties of epitaxial Sc x Al 1–x N highlight the importance of the starting Sc source material purity for epitaxial device applications that need these highly piezoelectric and/or ferroelectric transition-metal nitride alloys.

36 MATERIALS SCIENCE↗

NASA NTRS1980

Sintered silicon nitrode recuperator fabrication

The preliminary design and a demonstration of the feasibility of fabricating submodules of an automotive Stirling engine recuperator for waste heat recovery at 370 C are described. Sinterable silicon nitride (Sialon) tubing and plates were fabricated by extrusion and hydrostatic pressing, respectively, suitable for demonstrating a potential method of constructing ceramic recuperator-type heat exchangers. These components were fired in nitrogen atmosphere to 1800 C without significant scale formation so that they can be used in the as-fired condition. A refractory glass composition (Al2O3 x 4.5 CaO.MgO x 11SiO2) was used to join and seal component parts by a brazing technique which formed strong recuperator submodules capable of withstanding repeated thermal cycling to 1370 C. The corrosion resistance of these materials to Na2SO4 + NaCl carbon mixtures was also assessed in atmospheres of air, hydrogen and CO2-N2-H2O mixtures at both 870 C and 1370 C for times to 1000 hours. No significant reaction was observed under any of these test conditions.

Gatti, A.↗

NASA NTRS2012

Radiation Shielding Materials Containing Hydrogen, Boron, and Nitrogen: Systematic Computational and Experimental Study

The key objectives of this study are to investigate, both computationally and experimentally, which forms, compositions, and layerings of hydrogen, boron, and nitrogen containing materials will offer the greatest shielding in the most structurally robust combination against galactic cosmic radiation (GCR), secondary neutrons, and solar energetic particles (SEP). The objectives and expected significance of this research are to develop a space radiation shielding materials system that has high efficacy for shielding radiation and that also has high strength for load bearing primary structures. Such a materials system does not yet exist. The boron nitride nanotube (BNNT) can theoretically be processed into structural BNNT and used for load bearing structures. Furthermore, the BNNT can be incorporated into high hydrogen polymers and the combination used as matrix reinforcement for structural composites. BNNT's molecular structure is attractive for hydrogen storage and hydrogenation. There are two methods or techniques for introducing hydrogen into BNNT: (1) hydrogen storage in BNNT, and (2) hydrogenation of BNNT (hydrogenated BNNT). In the hydrogen storage method, nanotubes are favored to store hydrogen over particles and sheets because they have much larger surface areas and higher hydrogen binding energy. The carbon nanotube (CNT) and BNNT have been studied as potentially outstanding hydrogen storage materials since 1997. Our study of hydrogen storage in BNNT - as a function of temperature, pressure, and hydrogen gas concentration - will be performed with a hydrogen storage chamber equipped with a hydrogen generator. The second method of introducing hydrogen into BNNT is hydrogenation of BNNT, where hydrogen is covalently bonded onto boron, nitrogen, or both. Hydrogenation of BN and BNNT has been studied theoretically. Hyper-hydrogenated BNNT has been theoretically predicted with hydrogen coverage up to 100% of the individual atoms. This is a higher hydrogen content than possible with hydrogen storage; however, a systematic experimental hydrogenation study has not been reported. A combination of the two approaches may be explored to provide yet higher hydrogen content. The hydrogen containing BNNT produced in our study will be characterized for hydrogen content and thermal stability in simulated space service environments. These new materials systems will be tested for their radiation shielding effectiveness against high energy protons and high energy heavy ions at the HIMAC facility in Japan, or a comparable facility. These high energy particles simulate exposure to SEP and GCR environments. They will also be tested in the LaRC Neutron Exposure Laboratory for their neutron shielding effectiveness, an attribute that determines their capability to shield against the secondary neutrons found inside structures and on lunar and planetary surfaces. The potential significance is to produce a radiation protection enabling technology for future exploration missions. Crew on deep space human exploration missions greater than approximately 90 days cannot remain below current crew Permissible Exposure Limits without shielding and/or biological countermeasures. The intent of this research is to bring the Agency closer to extending space missions beyond the 90-day limit, with 1 year as a long-term goal. We are advocating a systems solution with a structural materials component. Our intent is to develop the best materials system for that materials component. In this Phase I study, we have shown, computationally, that hydrogen containing BNNT is effective for shielding against GCR, SEP, and neutrons over a wide range of energies. This is why we are focusing on hydrogen containing BNNT as an innovative advanced concept. In our future work, we plan to demonstrate, experimentally, that hydrogen, boron, and nitrogen based materials can provide mechanically strong, thermally stable, structural materials with effective radiation shielding against GCR, SEP, and neutrons.

Radiation↗

DOE OSTI2023

NanoMechanics: Elasticity and Friction in Nano‐Objects

A large scientific and technological effort is underway to investigate the properties of two‐dimensional (2D) materials to become building blocks in integrated nano‐electronic and photonic circuits, composites, coatings, energy harvesting nano‐ systems, nano‐sensors, and nano‐electro‐mechanical systems (NEMS).While several experiments and calculations have revealed exciting novel phenomena in these nanostructures, many scientific and technological questions remain open. In particular, understanding and controlling the structure and mechanical properties of 2D materials at the interface with a solid surface is of key importance to enable the aforementioned nanotechnologies, as well as to fulfill the potential of strain engineering to tailor their properties. The vision of this DoE research program was to investigate novel mechanical properties and phenomena in 1D and 2D materials with the overarching goal of defining a new basic understanding of mechanical behavior in nano and quantum systems. The group of the PI has developed in the last years several studies on the mechanical properties of Carbon nanotubes and oxide nanobelts, more recently the PI has focused her attention on the properties of two‐dimensional materials, such as graphene and MoS 2 , which are a few‐atomic‐layer thick films and hold a great potential for technological and energy applications. The most studied 2D material is graphene, existing as a single layer of graphite or a few‐layer thick epitaxial graphene film. Graphene possesses a large in‐plane Young’s modulus as well as high intrinsic carrier mobility, and high in‐plane thermal conductivity. Besides graphene, also 2D films of graphene oxide (GO), hexagonal Boron Nitride (h‐BN), and transition metal dichalcogenides such as MoS 2 exhibit unique and excellent properties and hold great promise for nanotechnology applications. This research program was aimed at developing a new basic understanding of the mechanical properties of 1D and 2D materials at the interface with solid substrates, with a focus on the role of defects, materials structure, and substrate interaction. Ultimately, we aimed at developing the basic knowledge and experimental tools for manipulating 1D and 2D materials’ structure, stacking, substrate interaction, defects, and number of layers to realize an entirely new class of ultra‐hard, ultra‐thin, and ultra‐light active materials with ad‐ hoc mechanical properties for a variety of applications.

2D Materials↗

NASA NTRS1995

Langley Research Center - Soluble Imide (LaRC-SI)

This report is about experimenting and developing uses for the new thermal plastic developed by Dr. Robert Bryant called the 'Langley Research Center - Soluble Imide' (LaRC-SI). The three developments are: the use of the LaRC-SI as a dielectric for thin film sensors, as an adhesive to place diamonds on surfaces to increase thermal conductivity, and as an intermediate layer to allow the placement of metal on aluminum nitride. The LaRC-SI was developed by Dr. Robert G. Bryant, a chemical engineer at NASA Langley Research Center. The unique properties of this material is that it is an amorphous thermoplastic. This means that it can be reformed at elevated temperature and pressures. It can be applied in the form of a spray, spin, dip coating, paint, or spread with a doctors blade. The LaRC-SI has excellent adhesive and dielectric properties. It can also be recycled. Potential applications for this material are resin for mechanical parts such as gears, bearings and valves, advanced composites like carbon fiber, high strength adhesives, thin film circuits, and as a dielectric film for placing electrical components on conductive materials.

Stang, David↗