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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 1,369 records · Page 76
All sourcesNASA NTRSDOE OSTI
NASA NTRS1997

Thermal Response and Ablation Programs for TPS Sizing Computation

The computer programs developed at NASA Ames Research Center for TPS sizing computation have been applied to many NASA's space missions, such as Mars Pathfinder, StarDust, Mars 2001, DS-II, and Saturn Entry Probe. These computer programs include FIAT (Fully Implicit Ablation and Thermal Response Program, MAT (Multi-component Ablation Thermochemistry Program), TPSX (Thermal Protection Systems Expert & Material Properties Database), and TPSGui (Thermal Protection Systems Graphical User Interface). For most planetary missions, the aerothermodynamics and material response are strongly coupled; thus a closed loop iteration technique between the FIAT and CFD (Computational Fluid Dynamics) codes has been developed to obtain the high fidelity bench mark TPS sizing solution. The computer codes and predictive methods are presented and discussed in detail.

Chen, Y. K.↗
NASA NTRSDate not supplied

Bootstrapping Multi-Agent Unmanned Aerial Vehicle (UAV) System Integration Using Ground-Based Assets: Lessons Learned

In support of the Autonomy Teaming and TRAjectories for Complex Trusted Operational Reliability (ATTRACTOR) project, a fleet of unmanned ground vehicles (UGVs) was developed as a test and evaluation (T\&E) platform to reduce system integration gaps between simulation and live flight hardware. While simulation and hardware-in-the-loop bench testing provide adequate environments for preliminary validation, differences in system deployment architecture, software interfaces, and hardware infrastructure increase the risks to safety, property, and the project. Given ATTRACTOR’s goal of establishing a basis of certification of trust and trustworthiness in multi-agent autonomous systems, bridging these gaps was critical to successful project execution and feasibility assessment. In this paper we present the UGV fleet and its role in speeding up system integration, smoothing the transition from simulation to flight, and providing researchers an easy-to-use hardware test bed. An overview of the hardware and software on-board the vehicles is provided along with supporting infrastructure. The system integration process is documented including results in supporting both the overarching design reference mission (DRM) of ATTRACTOR and individual research efforts conducted since the creation of the fleet. Finally, we discuss the practical lessons learned regarding the testing, deployment, and operation of multi-agent autonomous systems.

Matthew P. Vaughan↗
DOE OSTI2021

Quantitative microstructural investigation of 3D-printed and cast cement pastes using micro-computed tomography and image analysis

Highlights: • Processing alters the microstructure in 3D-printed lamellar cubic element. • A unique patterned and connected pore microstructure network exists. • Micro-channels are connected through micro-pores present at interfaces regions. • Three distinct pore volume domains exists in hardened microstructure. • Volume and frequency of pore, hydrated, and unhydrated clusters are dissimilar. Microstructural phases and mechanical properties of lamellar 3D-printed and cast hardened cement paste (hcp) elements were investigated using a lab-based X-ray microscope at two levels of magnification (0.4× and 4×). K-means clustering was used for quantitative image analysis. The entire volume of intact 3-days-old 3D-printed and cast hcp elements was characterized at 0.4× magnification. Three microstructural features (macro-pores, micro-channels, and interfacial micro-pores) were found to reside in three distinct pore size domains. The largest pores of the 3D-printed element were larger than the largest pores of the reference cast hcp element. Moreover, the smallest pore sizes of the 3D-printed element were found to be smaller than those present in the cast counterparts. Micro-channels were found to be connected to one another through the micro-pores present at interfacial regions, indicating the presence of a uniquely patterned and interconnected pore network. The role of locally weak and porous interfaces on mechanical response and fracture properties is discussed.

36 MATERIALS SCIENCE↗
NASA NTRS1987

Ion plated gold films: Properties, tribological behavior and performance

The glow discharge energizing favorably modifies and controls the coating/substrate adherence and the nucleation and growth sequence of ion plated gold films. As a result the adherence, coherence, internal stresses, and morphology of the films are significantly improved. Gold ion plated films because of their graded coating/substrate interface and fine uniform densely packed microstructure not only improve the tribological properties but also induce a surface strengthening effect which improves the mechanical properties such as yield, tensile, and fatigue strength. Consequently significant improvements in the tribological performance of ion plated gold films as compared to vapor deposited gold films are shown in terms of decreased friction/wear and prolonged endurance life.

Spalvins, Talivaldis↗
DOE OSTI2021

Thermal conductivity of the n = –5 and 10 members of the (SrTiO 3 ) n SrO Ruddlesden–Popper superlattices

Unlike many superlattice structures, Ruddlesden–Popper phases have atomically abrupt interfaces useful for interrogating how periodic atomic layers affect thermal properties. Here, we measure the thermal conductivity in thin films of the n = 1–5 and 10 members of the (SrTiO 3 ) n SrO Ruddlesden–Popper superlattices grown by molecular-beam epitaxy and compare the results to a single crystal of the n = 1 Ruddlesden–Popper SrLaAlO 4 . The thermal conductivity cross-plane to the superlattice layering (k 33 ) is measured using time-domain thermoreflectance as a function of temperature and the results are compared to first-principles calculations. The thermal conductivity of this homologous series decreases with increasing interface density. Characterization by x-ray diffraction and scanning transmission electron microscopy confirms that these samples have a Ruddlesden–Popper superlattice structure.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Two-dimensional lateral GaN/SiC heterostructures: First-principles studies of electronic and magnetic properties

We study the electronic and magnetic structures of quasi-one-dimensional interfaces along the zigzag direction in two-dimensional GaN/SiC heterostructures using first-principles calculations. Four representative heterostructures with six inequivalent interfaces are discussed in detail. Our results indicate that a bulk electric field will develop only when both interfaces feature no gap states and the total net charge at interfaces are of opposite sign. All the geometries studied exhibit an intriguing quasi-one-dimensional conductor character, of which three show finite nonzero magnetic moment. Furthermore, the magnetic moment in one of the systems can be tuned by applying an electric field along the normal direction of monolayer indicating a strong magnetoelectric coupling. Our analysis shows that the magnetization at the interfaces is closely related to the density of states at the Fermi level due to the Stoner instability, and the ribbon-width-dependent magnetization for different geometries implies the existence of an in-bulk electric field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Bias-dependent local structure of water molecules at a metallic interface

Understanding the local structure of water at the interfaces of metallic electrodes is a key issue in aqueous-based electrochemistry. Nevertheless a realistic simulation of such a setup is challenging, particularly when the electrodes are maintained at different potentials. To correctly compute the effect of an external bias potential applied to truly semi-infinite surfaces, we combine Density Functional Theory (DFT) and Non-Equilibrium Green’s Function (NEGF) methods. This framework allows for the out-of-equilibrium calculation of forces and dynamics, and directly correlates to the chemical potential of the electrodes, which is introduced experimentally. In this work, we apply this methodology to study the electronic properties and atomic forces of a water molecule at the interface of a gold surface. We find that the water molecule tends to align its dipole moment with the electric field, and it is either repelled or attracted to the metal depending on the sign and magnitude of the applied bias, in an asymmetric fashion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Asphaltene-induced spontaneous emulsification: Effects of interfacial co-adsorption and viscoelasticity

Asphaltenes are a class of high molecular weight aromatic compounds found in crude oil. They adsorb onto toluene-water interfaces and induce a spontaneous emulsification phenomenon, whereby stable water-in-oil emulsions form without the need of an external energy input. This work aims to control and understand the factors affecting spontaneous droplet formation in the presence of asphaltene adsorption. This is particularly useful for crude oil refining, where the presence of a stable emulsion hampers the efficiency of downstream processing operations. We explore the effect of the addition of copolymers designed as crude oil flow improvers as a means to control the extent of emulsion formation. We find that the polymers competitively adsorb onto the toluene-water interface and diminish spontaneous emulsification. Additionally, we conduct fluorescence microscopy experiments and measurements of the interfacial energy to determine the mechanism of spontaneous emulsification in asphaltene systems. We conclude that an emulsion forms via the diffusion of molecular water into the oil phase and subsequent binding with asphaltene aggregates, leading to the nucleation of micrometer-sized water droplets. We find that the polymer forms complexes with the dissolved asphaltenes, possibly hampering the ability of diffused water to bind to the asphaltenes and reducing the extent of spontaneous emulsification. Finally, we investigate the role of interfacial shear and dilatational viscoelasticity to better understand which fundamental interfacial properties are important in the emulsification of asphaltene-laden systems. We find that the rate of formation of an interfacial microstructural network is inversely correlated with the extent and rate of spontaneous emulsification.

42 ENGINEERING↗
DOE OSTI2017

Understanding individual defects in CdTe thin-film solar cells via STEM: From atomic structure to electrical activity

Here in this paper we review a systematic study of the structure-property correlations of a series of defects in CdTe solar cells. A variety of experimental methods, including aberration-corrected scanning transmission electron microscopy, electron energy loss spectroscopy, energy dispersive X-ray spectroscopy, and electron-beam-induced current have been combined with density-functional theory. The research traces the connections between the structures and electrical activities of individual defects including intra-grain partial dislocations, grain boundaries and the CdTe/CdS interface. The interpretations of the physical origin underlying the structure-property correlation provide insights that should further the development of future CdTe solar cells.

14 SOLAR ENERGY↗
DOE OSTI2018

Effect of temperature on microstructure and mechanical properties of ECAPed (TiB + La2O3)/Ti-6Al-4V composites

Highlights: • Dynamic recrystallization resulted in ultrafine grains near TiB interface region. • Tensile strength of ECAPed composites increased by up to 18%. • The average aspect ratio of TiB reduced with increasing ECAP temperature. • Interface debonding of TiB led to crack propagation and low ductility. TiB short fibers and La{sub 2}O{sub 3} particles reinforced titanium matrix composites (TMCs) were successfully equal-channel angular pressed (ECAPed) at 600 °C–900 °C. The effect of ECAP temperature on the microstructure and mechanical properties of the TMCs was investigated. The results indicated that dislocation tangling formed cell structures in matrix at lower ECAP temperature. In contrast, continuous dynamic recrystallization occurred at higher ECAP temperature, and promoted the formation of numerous new ultrafine grains. The average aspect ratio of TiB short fibers decreased with increasing ECAP temperature, which induced interfacial debonding. The tensile strength of TMCs ECAPed at 800 °C was up to 1128 MPa, which was 18% higher than the as-received composites. Interfacial debonding led TiB short fibers in low aspect ratios disabled to bear load, while the formation of ultrafine grains increased the strength of TMCs. The coupling of these two factors resulted in little effect of ECAP temperature on the tensile strength. However, the elongation of ECAPed TMCs generally decreased due to the loss of strain hardening capacity. Stress concentration tended to occur around the tips of TiB short fibers due to the interfacial debonding and cause crack propagation. It led to the premature fracture and low ductility.

36 MATERIALS SCIENCE↗
NASA NTRS1981

Characterization of metal-polymer boundaries using Stoneley and Leaky waves

Optical and acoustooptical techniques for bonded surface inspection and interface wave detection are discussed. Interface wave propagation models based on viscous, elastic, and viscoelastic mechanical properties are reviewed. Gross boundary anomalies such as large defects and localized disbond regions were measured using conventional high frequency pulse echo and pitch catch ultratechniques. Bond durabilty is estimated by comparing detected wave attenuation versus frequency as a function of prebond surface preparation with the experimental limit obtained for perfect welded contact. Sensitivity of interface acoustic field periodicity to both residual and dc applied stress at the boundary surface is observed as well as hysteresis due to viscoelastic polymeric behavior as the applied stress is cycled.

Claus, R. O.↗
DOE OSTI2021

The impact of interfacial Si contamination on GaN-on-GaN regrowth for high power vertical devices

The development of gallium nitride (GaN) power devices requires a reliable selective-area doping process, which is difficult to achieve because of ongoing challenges associated with the required etch-then-regrow process. The presence of silicon (Si) impurities of unclear physical origin at the GaN regrowth interface has proven to be a major bottleneck. Furthermore, this paper investigates the origin of Si contamination at the epitaxial GaN-on-GaN interface and demonstrates an approach that markedly reduces its impact on device performance. An optimized dry-etching approach combined with UV-ozone and chemical etching is shown to greatly reduce the Si concentration levels at the regrowth interface, and a significant improvement in a reverse leakage current in vertical GaN-based p–n diodes is achieved.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Imaging microscopic electronic contrasts at the interface of single-layer WS 2 with oxide and boron nitride substrates

The electronic properties of devices based on two-dimensional materials are significantly influenced by interactions with the substrate and electrode materials. In this work, we use photoemission electron microscopy to investigate the real- and momentum-space electronic structures of electrically contacted single-layer WS 2 stacked on hBN, SiO 2 , and TiO 2 substrates. Furthermore, using work function and X-ray absorption imaging, we single-out clean microscopic regions of each interface type and collect the valence band dispersion. We infer the alignments of the electronic bandgaps and electron affinities from the measured valence band offsets of WS2 and the three substrate materials using a simple electron affinity rule and discuss the implications for vertical band structure engineering using mixed three- and two-dimensional materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Evaluation of Tungsten—Steel Solid-State Bonding: Options and the Role of CALPHAD to Screen Diffusion Bonding Interlayers

Critical aspects of innovative design in engineering disciplines like infrastructure, transportation, and medical applications require the joining of dissimilar materials. This study investigates the literature on solid-state bonding techniques, with a particular focus on diffusion bonding, as an effective method for establishing engineering bonds. Welding and brazing, while widely used, may pose challenges when joining materials with large differences in melting temperature and can lead to mechanical property degradation. In contrast, diffusion bonding offers a lower temperature process that relies on solid-state interactions to develop bond strength. The joining of tungsten and steel, especially for fusion reactors, presents a unique challenge due to the significant disparity in melting temperatures and the propensity to form brittle intermetallics. Here, diffusion characteristics of tungsten–steel interfaces are examined and the influence of bonding parameters on mechanical properties are investigated. Additionally, CALPHAD modeling is employed to explore joining parameters, thermal stability, and diffusion kinetics. The insights from this research can be extended to join numerous dissimilar materials for specific applications such as aerospace, automobile industry, power plants, etc., enabling advanced and robust design with high efficiency.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Physisorption of Water on Graphene: Subchemical Accuracy from Many-Body Electronic Structure Methods

According to the article, wet carbon interfaces are ubiquitous in the natural world and exhibit anomalous properties, which could be exploited by emerging technologies. However, progress is limited by lack of understanding at the molecular level. Remarkably, even for the most fundamental system (a single water molecule interacting with graphene), there is no consensus on the nature of the interaction. We tackle this by performing an extensive set of complementary state-of-the-art computer simulations on some of the world’s largest supercomputers. From this effort a consensus on the water–graphene interaction strength has been obtained. Our results have significant impact for the physical understanding, as they indicate that the interaction is weaker than predicted previously. They also pave the way for more accurate and reliable studies of liquid water at carbon interfaces.

Chemistry↗
DOE OSTI2017

Spin-polarized current injection induced magnetic reconstruction at oxide interface

Electrical manipulation of magnetism presents a promising way towards using the spin degree of freedom in very fast, low-power electronic devices. Though there has been tremendous progress in electrical control of magnetic properties using ferromagnetic (FM) nanostructures, an opportunity of manipulating antiferromagnetic (AFM) states should offer another route for creating a broad range of new enabling technologies. Here we selectively probe the interface magnetization of SrTiO 3 /La 0.5 Ca 0.5 MnO 3 /La 0.7 Sr 0.3 MnO 3 heterojunctions and discover a new spin-polarized current injection induced interface magnetoelectric (ME) effect. The accumulation of majority spins at the interface causes a sudden, reversible transition of the spin alignment of interfacial Mn ions from AFM to FM exchange-coupled, while the injection of minority electron spins alters the interface magnetization from C-type to A-type AFM state. In contrast, the bulk magnetization remains unchanged. We attribute the current-induced interface ME effect to modulations of the strong double-exchange interaction between conducting electron spins and local magnetic moments. As a result, the effect is robust and may serve as a viable route for electronic and spintronic applications.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Effect of the fabrication conditions of SiGe LEDs on their luminescence and electrical properties

SiGe-based n{sup +}–p–p{sup +} light-emitting diodes (LEDs) with heavily doped layers fabricated by the diffusion (of boron and phosphorus) and CVD (chemical-vapor deposition of polycrystalline silicon layers doped with boron and phosphorus) techniques are studied. The electroluminescence spectra of both kinds of LEDs are identical, but the emission intensity of CVD diodes is ∼20 times lower. The reverse and forward currents in the CVD diodes are substantially higher than those in diffusion-grown diodes. The poorer luminescence and electrical properties of the CVD diodes are due to the formation of defects at the interface between the emitter and base layers.

36 MATERIALS SCIENCE↗