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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Influence of gadolinium doping on structural, optical, and electronic properties of polymeric graphitic carbon nitride

Polymeric graphitic carbon nitride (gCN) materials have received great attention in the fields of photo and electrocatalysis due to their distinct properties in metal-free systems with high physicochemical stability. Nevertheless, the activity of undoped gCN is limited due to its relatively low specific surface area, low conductivity, and poor dispersibility. Doping Gd atoms in a gCN matrix is an efficient strategy to fine-tune its catalytic activity and its electronic structure. Herein, the influence of various wt% of gadolinium (Gd) doped in melon-type carbon nitride was systematically investigated. Gadolinium-doped graphitic carbon nitride (GdgCN) was synthesized by adding gadolinium nitrate to dicyandiamide during polymerization. The X-ray diffraction (XRD) and transmission electron microscopy (TEM) results revealed that the crystallinity and the morphological properties are influenced by the % of Gd doping. Furthermore, X-ray photoelectron spectroscopy (XPS) studies revealed that the gadolinium ions bonded with nitrogen atoms. Complementary density functional theory (DFT) calculations illustrate possible bonding configurations of Gd ions both in bulk material and on ultrathin melon layers and provide evidence for the corresponding bandgap modifications induced by gadolinium doping.

36 MATERIALS SCIENCE↗
DOE OSTI2025

MXene/graphitic carbon nitride-supported metal selenide for all-solid-state flexible supercapacitor and oxygen evolution reaction

We report a new type of combination of rare earth metal selenides (Ce 2 Se 3 and Er 2 Se 3 ) with a Ti 3 C 2 T x /S-doped graphitic carbon nitride heterostructure for bifunctional application in flexible supercapacitors and oxygen evolution reactions. The incorporation of S-doped graphitic carbon nitride in MXenes reduced the layer stacking tendency of both two-dimensional sheets and eliminated volume expansion by forming a heterostructure. Cerium and erbium rare earth metal centers induce reactive surface sites, whereas binary layers of Ti 3 C 2 T x /S-doped graphitic carbon nitride provide a conducting matrix for the homogeneous growth of the metal selenides. The assembled all-solid-state flexible asymmetric supercapacitor exhibited a high specific capacitance of 60 F g –1 , an energy density of 10.1 W h kg –1 (volumetric energy density: 0.9 mW h cm –3 ) at 2 A g –1 , and 100% capacitance retention after 10 000 charge–discharge cycles with good flexibility for real-time applications. Furthermore, the optimum nanohybrid showed a low overpotential of 280 mV and a Tafel slope of 99 mV dec –1 with durable electrocatalytic performance. Furthermore, this work is the first to investigate the bifunctional energy efficiency of rare earth metal selenides grown over MXene materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Aluminum scandium nitride films for piezoelectric transduction into silicon at gigahertz frequencies

Recent advances in the growth of aluminum scandium nitride films on silicon suggest that this material platform could be applied for quantum electromechanical applications. Here, we model, fabricate, and characterize microwave frequency silicon phononic delay lines with transducers formed in an adjacent aluminum scandium nitride layer to evaluate aluminum scandium nitride films, at 32% scandium, on silicon interdigital transducers for piezoelectric transduction into suspended silicon membranes. We achieve an electromechanical coupling coefficient of 2.7% for the extensional symmetric-like Lamb mode supported in the suspended material stack and show how this coupling coefficient could be increased to at least 8.5%, which would further boost transduction efficiency and reduce the device footprint. The one-sided transduction efficiency, which quantifies the efficiency at which the source of microwave photons is converted to microwave phonons in the silicon membrane, is 10% at 5 GHz at room temperature and, as we discuss, there is a path to increase this toward near-unity efficiency based on a combination of modified device design and operation at cryogenic temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Thermo-optic properties of silicon-rich silicon nitride for on-chip applications

We demonstrate the thermo-optic properties of silicon-rich silicon nitride (SRN) films deposited using plasma-enhanced chemical vapor deposition (PECVD). Shifts in the spectral response of Mach-Zehnder interferometers (MZIs) as a function of temperature were used to characterize the thermo-optic coefficients of silicon nitride films with varying silicon contents. A clear relation is demonstrated between the silicon content and the exhibited thermo-optic coefficient in silicon nitride films, with the highest achievable coefficient being as high as (1.65±0.08) ×10 −4 K -1 . Furthermore, we realize an SRN multi-mode interferometer (MMI) based thermo-optic switch with over 20 dB extinction ratio and total power consumption for two-port switching of 50 mW.

Nejadriahi, Hani↗
DOE OSTI2020

Disorder effects in nitride semiconductors: impact on fundamental and device properties

Abstract Semiconductor structures used for fundamental or device applications most often incorporate alloy materials. In “usual” or “common” III–V alloys, based on the InGaAsP or InGaAlAs material systems, the effects of compositional disorder on the electronic properties can be treated in a perturbative approach. This is not the case in the more recent nitride-based GaInAlN alloys, where the potential changes associated with the various atoms induce strong localization effects, which cannot be described perturbatively. Since the early studies of these materials and devices, disorder effects have indeed been identified to play a major role in their properties. Although many studies have been performed on the structural characterization of materials, on intrinsic electronic localization properties, and on the impact of disorder on device operation, there are still many open questions on all these topics. Taking disorder into account also leads to unmanageable problems in simulations. As a prerequisite to address material and device simulations, a critical examination of experiments must be considered to ensure that one measures intrinsic parameters as these materials are difficult to grow with low defect densities. A specific property of nitride semiconductors that can obscure intrinsic properties is the strong spontaneous and piezoelectric fields. We outline in this review the remaining challenges faced when attempting to fully describe nitride-based material systems, taking the examples of LEDs. The objectives of a better understanding of disorder phenomena are to explain the hidden phenomena often forcing one to use ad hoc parameters, or additional poorly defined concepts, to make simulations agree with experiments. Finally, we describe a novel simulation tool based on a mathematical breakthrough to solve the Schrödinger equation in disordered potentials that facilitates 3D simulations that include alloy disorder.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Design, Modeling, and Testing of a Novel Inductor for Electric Vehicles: Iron Nitride Soft Magnetic Composites

New technology for electric vehicles (EVs) must meet the requirements of higher energy usage, lower costs, and more sustainable source materials. One promising material for EV power system components is iron nitride (IN) soft magnetic composites (SMCs) because of their competitive magnetic properties and high abundance of the source materials. As part of an ongoing program at Sandia National Laboratories, this project focused on using computer modeling to optimize the prototyping process for an iron nitride SMC toroidal inductor to reach a target inductance of 600 μH. Four inductors with different combinations of wiring (26 AWG and 20 AWG) and vol% loading of iron nitride (65 vol% and 50 vol%) were fabricated at Cal Poly and characterized using an LCR meter. These inductors were also modeled using COMSOL Multiphysics™ with the Magnetic Fields module. The inductance data from the experiment and the model show that the 65 vol% IN prototypes and models agree with about 8% difference, while the 50 vol% IN samples show about a 9% difference between the prototype and the model. These results suggest that the model can predict inductance with both accuracy and precision with low confidence for the given sample size of four. An additional parameter of AC resistance is studied but the AC resistance results from the inductors and from the model generally do not agree closely, suggesting that the current model used in the project does not fully capture the mechanisms behind AC resistance of the inductor. With the focus of the project on inductance, the percent difference results of less than 9% across the four inductors that were tested increases confidence in the model’s predictive capabilities for inductance only. Using the inductance results from both the model and experiment, the final suggested inductor design is a 65 vol% core with 150 windings of 20 AWG wire that is 8 cm across and 1.5 cm tall to reach the inductance goal of 600 μH based on analysis using the optimized COMSOLTM model.

33 ADVANCED PROPULSION SYSTEMS↗
NASA NTRS1971

Oxidation of boron nitride in an arc heated jet.

Two grades of hot pressed boron nitride and a boron nitride composite were subjected to oxidation tests in a 2.5 megawatt atmospheric arc jet. The results showed that fabrication and/or composition influenced thermal shock and oxidation resistance. Changes in surface structure and recession due to oxidation suggest correlation with specimen composition. The boron nitride composite reacted with the oxygen in the hot subsonic airstream to produce a glassy coating on the hot face surface.

Buckley, J. D.↗
NASA NTRS1973

Uranium nitride behavior at thermionic temperatures

The feasibility of using uranium nitride for in-core thermionic applications was evaluated in electrically heated thermal gradient tests and in flat plate thermionic converters. These tests indicated that grain boundary penetration of uranium nitride into both tungsten and rhenium will occur under thermal gradient conditions. In the case of the tungsten thermionic converter, this led to grain boundary rupture of the emitter and almost total loss of electrical output from the converter. It appears that uranium nitride is unsuitable for thermionic applications at the 2000 K temperatures used in these tests.

Phillips, W. M.↗
NASA NTRS1981

Infrared absorption spectra of metal carbides, nitrides and sulfides

The infrared absorption spectra of 12 kinds of metal carbides, 11 kinds of nitrides, and 7 kinds of sulfides, a total of 30 materials, were measured and the application of the infrared spectra of these materials to analytical chemistry was discussed. The measurements were done in the frequency (wave length) range of (1400 to 400/cm (7 to 25 mu). The carbides Al4C3, B4C, the nitrides AlN, BN, Si3N4, WB, and the sulfides Al2S3, FeS2, MnS, NiS and PbS were noted to have specific absorptions in the measured region. The sensitivity of Boron nitride was especially good and could be detected at 2 to 3 micrograms in 300 mg of potassium bromide.

Kammori, O.↗
NASA NTRS1983

Tribological and microstructural characteristics of ion-nitrided steels

Three steels AISI 4140, AISI 4340 and AISI 304 stainless steel were ion nitrided in a plasma consisting of a 75:25 mixture of H2:N2, sometimes with a trace of CH4. Their surface topography was characterized by SEM and two distinct compound phases were identified: the gamma and the epsilon. The core-case hardness profiles were also established. The low Cr alloy steels have an extended diffusion zone in contrast to the 304 stainless steels which have a sharp interface. The depth of ion-nitriding is increased as the Cr content is decreased. Friction tests reveal that the gamma surface phase has a lower coefficient of friction than the epsilon phase. The lowest coefficient of friction is achieved when both the rider and the specimen surface are ion nitrided.

Spalvins, T.↗
NASA NTRS1982

Thermodynamics of silicon nitridation - Effect of hydrogen

Equilibrium compositions for the nitridization of Si were calculated to detect the effectiveness of H2 in removal of the oxide film and in increasing the concentration of SiO and reducing the proportions of O2. Gibbs free energy for the formation of SiN2O was computed above 1685 K, and at lower temperatures. The thermodynamic properties of SiN2O2 were then considered from 1000-3000 K, taking into account the known thermodynamic data for 39 molecular combinations of the Si, Ni, and O. The gases formed were assumed ideal mixtures with pure phase condensed species. The mole fractions were obtained for a system of SiO2 with each Si particle covered with a thin layer of SiO2 before nitridation, and a system in which the nitriding atmosphere had access to the Si. The presence of H2 was determined to enhance the removal of NiO2 in the first system, decrease the partial pressure of O2, increase the partial pressures of SiO, Si, H2O, NH3, and SiH4, while its effects were negligible in the Si system.

Shaw, N. J.↗
NASA NTRS1983

Dynamic fracture toughnesses of reaction-bonded silicon nitride

The room-temperature dynamic fracture response of reaction-bonded silicon nitride is investigated using a hybrid experimental-numerical procedure. In this procedure, experimentally determined crack velocities are utilized to drive a dynamic finite-element code or dynamic finite-difference code in its generation mode in order to extract numerically the dynamic stress intensity factor of the fracturing specimen. Results show that the dynamic fracture toughness vs crack velocity relations of the two reaction-bonded silicon nitrides do not follow the general trend in those relations of brittle polymers and steel. A definite slow crack velocity during the initial phase of dynamic crack propagation is observed in reaction-bonded silicon nitride, which results in a nonunique dynamic fracture toughness vs crack velocity relation. In addition, it is found that a propagating crack will continue to propagate under a static stress intensity factor substantially lower than K(IC).

Kobayashi, A. S.↗
NASA NTRS1984

Photodeposition of Nitride Insulators on 3-5 Substrates

Laser assisted chemical vapor deposition (LCVD) of nitride insulators, using an excimer laser operating on either KrF or ArF transitions (248 nm or 193 nm respectively) was explored. The properties of silicon nitride films Deposited with 193 nm photons on quartz and silicon substrates in a SiH4, NH3, N2 and He mixture are discussed. Aluminum films were deposited at substrate temperatures from room temperature to 200 C using 248 nm or 193 nm photons to dissociate trimethylaluminum (TMA). Deposition of Al films were investigated to isolate problems associated with TMA such as C and O contamination during AlN depositions. The Al film properties were evaluated on SiO2 and Si substrates. Preliminary results were obtained for aluminum nitride films using TMA and NH3 as the gas phase Al and N donors. The properties of Cr films deposited over areas 5 square cm using 193 nm or 248 nm photons to dissociate Cr(CO) were investigated.

Collins, G. J.↗
NASA NTRS1983

Tribological and microstructural characteristics of ion-nitrided steels

Three steels AISI 4140, AISI 4340 and AISI 304 stainless steel were ion nitrided in a plasma consisting of a 75:25 mixture of H2:N2, sometimes with a trace of CH4. Their surface topography was characterized by SEM and two distinct compound phases were identified: the gamma and the epsilon. The core-case hardness profiles were also established. The low Cr alloy steels have an extended diffusion zone in contrast to the 3034 stainless steels which have a sharp interface. The depth of ion-nitriding is increased as the Cr content is decreased. Friction tests reveal that the gamma surface phase has a lower coefficient of friction than the epsilon phase. The lowest coefficient of friction is achieved when both the rider and the specimen surface are ion nitrided. Previously announced in STAR as N83-24635

Spalvins, T.↗
NASA NTRS1986

Beta Silicon Nitride Whiskers

Process for growing fibrous beta silicon nitride helps meet potentially great demand for silicon nitride ceramics. Ceramics have high tensile strength and resistance to thermal shock, which make them attractive choice for high-temperature engine parts. Process forms whiskers of strong, stable, heatresistant material. Whiskers expected to find application as reinforcement in composite silicon nitride ceramic parts. Corklike material useful in present form for thermal barrier tiles. Process forms whiskers of strong, stable, heat-resistant material.

Holliday, R. J.↗
NASA NTRS1985

Tensile test of pressureless-sintered silicon nitride at elevated temperature

Uniaxial tensile strength tests of pressureless sintered silicon nitride were carried out in air at temperatures ranging from room temperature up to 1600 C. Silicon nitrides containing Y2O3, Al2O3, Al2O3-MgO, or MgO-CeO2 additives were tested. The results show that the composition of the additive used influences the strength characteristics of the silicon nitride. The tensile strength rapidly decreased at temperatures above 1000 C for the materials containing MgO as the additive and above 1000 C for the material with Y2O3. When the temperature increased to as high as 1300 C, the strength decreased to about 10 percent of the room temperature strength in each case. Observations of the fracture origin and of the crack propagation on the fracture surfaces are discussed.

Matsusue, K.↗
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

Frictional and structural characterization of ion-nitrided low and high chromium steels

Low Cr steels AISI 41410, AISI 4340, and high Cr austenitic stainless steels AISI 304, AISI 316 were ion nitrided in a dc glow discharge plasma consisting of a 75 percent H2 - 25 percent N2 mixture. Surface compound layer phases were identified, and compound layer microhardness and diffusion zone microhardness profiles were established. Distinct differences in surface compound layer hardness and diffusion zone profiles were determined between the low and high Cr alloy steels. The high Cr stainless steels after ion nitriding displayed a hard compound layer and an abrupt diffusion zone. The compound layers of the high Cr stainless steels had a columnar structure which accounts for brittleness when layers are exposed to contact stresses. The ion nitrided surfaces of high and low Cr steels displayed a low coefficient of friction with respect to the untreated surfaces when examined in a pin and disk tribotester.

Spalvins, T.↗