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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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Two-dimensional electron systems in perovskite oxide heterostructures: Role of the polarity-induced substitutional defects
The discovery of a two-dimensional electron system (2DES) at the interfaces of perovskite oxides such as LaAlO 3 and SrTiO 3 has motivated enormous efforts in engineering interfacial functionalities with this type of oxide heterostructures. However, the fundamental origins of the 2DES are still not understood, e.g., the microscopic mechanisms of coexisting interface conductivity and magnetism. In this paper, we report a comprehensive spectroscopic investigation on the depth profile of 2DES-relevant Ti 3d interface carriers using depth- and element-specific techniques like standing-wave excited photoemission and resonant inelastic scattering. We found that one type of Ti 3d interface carriers, which give rise to the 2DES are located within three unit cells from the n-type interface in the SrTiO 3 layer. Unexpectedly, another type of interface carriers, which are polarity-induced Ti-on-Al antisite defects, reside in the first three unit cells of the opposing LaAlO3 layer (~10 Å). Our findings provide a microscopic picture of how the localized and mobile Ti 3d interface carriers distribute across the interface and suggest that the 2DES and 2D magnetism at the LaAlO 3 /SrTiO 3 interface have disparate explanations as originating from different types of interface carriers.
Orbital transfer vehicle engine integration study
NASA-LeRC is sponsoring industry studies to establish the technology base for an advanced engine for orbital transfer vehicles for mid-1990s IOC. Engine contractors are being assisted by vehicle contractors to define the requirements, interface conditions, and operational design criteria for new LO2-LH2 propulsion systems applicable to future orbit transfer vehicles and to assess the impacts on space basing, man rating, and low-G transfer missions on propulsion system design requirements. The results of a study is presented. The primary study emphasis was to determine what the OTV engine thrust level should be, how many engines are required on the OTV, and how the OTV engine should be designed. This was accomplished by evaluating planned OTV missions and concepts to determine the requirements for the OTV propulsion system, conducting tradeoffs and comparisons to optimize OTV capability, and evaluating reliability and maintenance to determine the recommended OTV engine design for future development.
Overview of High-Fidelity Modeling Activities in the Numerical Propulsion System Simulations (NPSS) Project
A high-fidelity simulation of a commercial turbofan engine has been created as part of the Numerical Propulsion System Simulation Project. The high-fidelity computer simulation utilizes computer models that were developed at NASA Glenn Research Center in cooperation with turbofan engine manufacturers. The average-passage (APNASA) Navier-Stokes based viscous flow computer code is used to simulate the 3D flow in the compressors and turbines of the advanced commercial turbofan engine. The 3D National Combustion Code (NCC) is used to simulate the flow and chemistry in the advanced aircraft combustor. The APNASA turbomachinery code and the NCC combustor code exchange boundary conditions at the interface planes at the combustor inlet and exit. This computer simulation technique can evaluate engine performance at steady operating conditions. The 3D flow models provide detailed knowledge of the airflow within the fan and compressor, the high and low pressure turbines, and the flow and chemistry within the combustor. The models simulate the performance of the engine at operating conditions that include sea level takeoff and the altitude cruise condition.
Efficient Parallel Engineering Computing on Linux Workstations
A C software module has been developed that creates lightweight processes (LWPs) dynamically to achieve parallel computing performance in a variety of engineering simulation and analysis applications to support NASA and DoD project tasks. The required interface between the module and the application it supports is simple, minimal and almost completely transparent to the user applications, and it can achieve nearly ideal computing speed-up on multi-CPU engineering workstations of all operating system platforms. The module can be integrated into an existing application (C, C++, Fortran and others) either as part of a compiled module or as a dynamically linked library (DLL).
Atomistic modeling of interface strengthening in Al-Si eutectic alloys
Al-Si cast alloys are usually composed of α-Al and Al-Si eutectic. Si flakes and Al matrix generally hold cube-on-cube orientation relationship with the primary interface (111) Al ∥(111) Si . Extensive experimental studies demonstrated that Si flakes cannot significantly improve mechanical properties of Al-Si cast alloys. We hypothesize that the weak strengthening effect associated with Si flakes might be attributed to thermomechanical properties of Al-Si interfaces besides their morphologies. To characterize Al-Si interfaces with a large lattice mismatch (> 30%), we proposed the quasi-coincident site lattice (Q-CSL) as reference lattice, and demonstrated that the Q-CSL Al-Si coherent interface has three characteristic coherent structures, one stable and low energy structure and two metastable and high energy structures. The translation vectors for the same type of coherent Q-CSL structures are consistent with three displacement shift complete (DSC) vectors. The two metastable structures can be obtained by shifting the low energy structure with three partial DSC vectors. Semi-coherent interface is composed of the low energy Q-CSL patches and three sets of interface misfit dislocations with Burgers vectors same as the DSC vectors. Atomistic simulations revealed that Al-Si interface exhibits low shear resistance. Ideal shear strength of the Q-CSL coherent interface is 110 MPa and semi-coherent interface is 20 MPa. The low shear resistance is attributed to the glide of interface misfit dislocations. Al-Si interface also exhibits low formation and migration energies of point defects. Owing to low shear strength and low formation and migration energies of point defects, interface sliding or shear readily happen under mechanical loading or during dislocation-interface interactions. Lattice dislocations can cross slip onto or climb along Al-Si interfaces. These reactions decrease the number of accumulated dislocation loops around Si flakes and promote nucleation and emission of lattice dislocations from Al-Si interfaces to matrix, consequently reduce the repulsive force on approaching dislocations and weaken Si flakes strengthening effect. In situ tension and compression tests in a scanning electron microscope reveal relatively weak strengthening effect due to Si flakes, consistent with the computed dislocation interaction with interfaces and shear behavior of interfaces.
Nanoscale imaging of phonon dynamics by electron microscopy
Spatially resolved vibrational mapping of nanostructures is indispensable to the development and understanding of thermal nanodevices, modulation of thermal transport and novel nanostructured thermoelectric materials. Through the engineering of complex structures, such as alloys, nanostructures and superlattice interfaces, one can significantly alter the propagation of phonons and suppress material thermal conductivity while maintaining electrical conductivity. There have been no correlative experiments that spatially track the modulation of phonon properties in and around nanostructures due to spatial resolution limitations of conventional optical phonon detection techniques. Here we demonstrate two-dimensional spatial mapping of phonons in a single silicon–germanium (SiGe) quantum dot (QD) using monochromated electron energy loss spectroscopy in the transmission electron microscope. Tracking the variation of the Si optical mode in and around the QD, we observe the nanoscale modification of the composition-induced red shift. We observe non-equilibrium phonons that only exist near the interface and, furthermore, develop a novel technique to differentially map phonon momenta, providing direct evidence that the interplay between diffuse and specular reflection largely depends on the detailed atomistic structure: a major advancement in the field. Our work unveils the non-equilibrium phonon dynamics at nanoscale interfaces and can be used to study actual nanodevices and aid in the understanding of heat dissipation near nanoscale hotspots, which is crucial for future high-performance nanoelectronics.
Learning heterogeneous reaction kinetics from X-ray videos pixel by pixel
Reaction rates at spatially heterogeneous, unstable interfaces are notoriously difficult to quantify, yet are essential in engineering many chemical systems, such as batteries and electrocatalysts. Experimental characterizations of such materials by operando microscopy produce rich image datasets, but data-driven methods to learn physics from these images are still lacking because of the complex coupling of reaction kinetics, surface chemistry and phase separation. Here we show that heterogeneous reaction kinetics can be learned from in situ scanning transmission X-ray microscopy (STXM) images of carbon-coated lithium iron phosphate (LFP) nanoparticles. Combining a large dataset of STXM images with a thermodynamically consistent electrochemical phase-field model, partial differential equation (PDE)-constrained optimization and uncertainty quantification, we extract the free-energy landscape and reaction kinetics and verify their consistency with theoretical models. We also simultaneously learn the spatial heterogeneity of the reaction rate, which closely matches the carbon-coating thickness profiles obtained through Auger electron microscopy (AEM). Across 180,000 image pixels, the mean discrepancy with the learned model is remarkably small (<7%) and comparable with experimental noise. Our results open the possibility of learning nonequilibrium material properties beyond the reach of traditional experimental methods and offer a new non-destructive technique for characterizing and optimizing heterogeneous reactive surfaces.
Surface dependence of electronic growth of Cu(111) on MoS 2
Scanning tunneling microscopy shows that copper deposited at room temperature onto a freshly exfoliated MoS 2 surface forms Cu(111) clusters with periodic preferred heights of 5, 8, and 11 atomic layers. These height intervals correlate with Fermi nesting regions along the necks of the bulk Cu Fermi surface, indicating a connection between physical and electronic structures. Density functional theory calculations of freestanding Cu(111) films support this as well, predicting a lower density of states at the Fermi level for these preferred heights. This is consistent with other noble metals deposited on MoS 2 that exhibit electronic growth, in which the metal films self-assemble as nanostructures minimizing quantum electronic energies. Here, we have discovered that it is critical for the metal deposition to begin on a clean MoS 2 surface. If copper is deposited onto an already Cu coated surface, even if the original film displays electronic growth, the resulting Cu film lacks quantization. Instead, the preferred heights of the Cu clusters simply increase linearly with the amount of Cu deposited upon the surface. We believe this is due to different bonding conditions during the initial stages of growth. Newly deposited copper would bond strongly to the already present copper clusters, rather than the weak bonding, which exists to the van der Waals terminated surface of MoS 2 . The stronger bonding with previously deposited clusters hinders additional Cu atoms from reaching their lowest quantum energy state. The interface characteristics of the van der Waals surface enable surface engineering of self-assembled structures to achieve different applications.
CFD Evaluation of Pressure Change Along Coolant Passages in Sodium-Cooled Fast Reactor with Nek5000
To support the design efforts of advanced sodium-cooled fast reactors (SFRs), a series of computational fluid dynamics (CFD) simulations are performed to investigate the pressure change along various flow passages in the proposed SFR system. The simulations are carried out with the state-of-the-art spectral element flow solver, Nek5000. Two specific case studies are presented in this paper: the flow exiting the axial neutron reflector channels and the flow entering the fuel pin bundle. Due to the high Reynolds numbers expected, a Reynolds-averaged Navier-Stokes (RANS) approach is necessary to model the turbulence. A newly developed regularized k-omega RANS model is adopted in the related CFD calculations. The first case study explores the effect of Reynolds number on the pressure change when flow exits the reflector channels. The pressure change in this case has two major contributors: the change due to wall friction and the Bernoulli effect. It is noted that the nondimensional pressure loss follows a log-linear trend up to Re = 10 5 , and then the trend is flattened. In the second case study, the advanced NekNek coupling capability is tested where an integral domain can be divided into multiple subdomains with coupling interfaces, which would greatly ease the meshing process of complex engineering geometries and potentially save computational resources. The preliminary results obtained so far confirm the consistency between the NekNek results and those produced by regular Nek5000 simulation. The presented work demonstrates the readiness and flexibility of the related CFD techniques, which is part of the broader effort to leverage cutting-edge CFD to inform the advanced nuclear reactor designs.
Time-Resolved Structural Measurement of Thermal Resistance across a Buried Semiconductor Heterostructure Interface
The precise control and understanding of heat flow in heterostructures is pivotal for advancements in thermoelectric energy conversion, thermal barrier coatings, and efficient heat management in electronic and optoelectronic devices. In this study, we employ high-angular-resolution time-resolved X-ray diffraction to structurally measure thermal resistance in a laser-excited AlGaAs/GaAs semiconductor heterostructure. Our methodology offers femtometer-scale spatial sensitivity and nanosecond time resolution, enabling us to directly observe heat transport across a buried interface. We corroborate established Thermal Boundary Resistance (TBR) values for AlGaAs/GaAs heterostructures and demonstrate that TBR arises from material property discrepancies on either side of a nearly flawless atomic interface. This work not only sheds light on the fundamental mechanisms governing heat flow across buried interfaces but also presents a robust experimental framework that can be extended to other heterostructure systems, paving the way for optimized thermal management in next-generation devices.
Heat-Exchanger/Heat-Pipe Interface
Monolithic assembly reliable and light in weight. Heat exchanger and evaporator ends of heat pipes integrated in monolithic halves welded together. Interface assembly connects heat exchanger of furnace, reactor, or other power source with heat pipes carrying heat to radiator or power-consuming system. One of several concepts proposed for nuclear power supplies aboard spacecraft, interface useful on Earth in solar thermal power systems, heat engines, and lightweight cooling systems.
Tracking and data relay satellite fault isolation and correction using PACES: Power and attitude control expert system
The Power and Attitude Control Expert System (PACES) is an object oriented and rule based expert system which provides spacecraft engineers with assistance in isolating and correcting problems within the Power and Attitude Control Subsystems of the Tracking and Data Relay Satellites (TDRS). PACES is designed to act in a consultant role. It will not interface to telemetry data, thus preserving full operator control over spacecraft operations. The spacecraft engineer will input requested information. This information will include telemetry data, action being performed, problem characteristics, spectral characteristics, and judgments of spacecraft functioning. Questions are answered either by clicking on appropriate responses (for text), or entering numeric values. A context sensitive help facility allows access to additional information when the user has difficulty understanding a question or deciding on an answer. The major functionality of PACES is to act as a knowledge rich system which includes block diagrams, text, and graphics, linked using hypermedia techniques. This allows easy movement among pieces of the knowledge. Considerable documentation of the spacecraft Power and Attitude Control Subsystems is embedded within PACES. The development phase of TDRSS expert system technology is intended to provide NASA with the necessary expertise and capability to define requirements, evaluate proposals, and monitor the development progress of a highly competent expert system for NASA's Tracking and Data Relay Satellite Program.
Automating hypertext for decision support
A decision support system (DSS) shell is being constructed that can support applications in a variety of fields, e.g., engineering, manufacturing, finance. The shell provides a hypertext-style interface for 'navigating' among DSS application models, data, and reports. The traditional notion of hypertext had to be enhanced. Hypertext normally requires manually, pre-defined links. A DSS shell, however, requires that hypertext connections to be built 'on the fly'. The role of hypertext is discussed in augmenting DSS applications and the decision making process. Also discussed is how hypertext nodes, links, and link markers tailored to an arbitrary DSS application were automatically generated.
Quantitative simulation of extraterrestrial engineering devices
This is a multicomponent, multidisciplinary project whose overall objective is to build an integrated database, simulation, visualization, and optimization system for the proposed oxygen manufacturing plant on Mars. Specifically, the system allows users to enter physical description, engineering, and connectivity data through a uniform, user-friendly interface and stores the data in formats compatible with other software also developed as part of this project. These latter components include: (1) programs to simulate the behavior of various parts of the plant in Martian conditions; (2) an animation program which, in different modes, provides visual feedback to designers and researchers about the location of and temperature distribution among components as well as heat, mass, and data flow through the plant as it operates in different scenarios; (3) a control program to investigate the stability and response of the system under different disturbance conditions; and (4) an optimization program to maximize or minimize various criteria as the system evolves into its final design. All components of the system are interconnected so that changes entered through one component are reflected in the others.
Development of an intelligent diagnostic system for reusable rocket engine control
A description of an intelligent diagnostic system for the Space Shuttle Main Engines (SSME) is presented. This system is suitable for incorporation in an intelligent controller which implements accommodating closed-loop control to extend engine life and maximize available performance. The diagnostic system architecture is a modular, hierarchical, blackboard system which is particularly well suited for real-time implementation of a system which must be repeatedly updated and extended. The diagnostic problem is formulated as a hierarchical classification problem in which the failure hypotheses are represented in terms of predefined data patterns. The diagnostic expert system incorporates techniques for priority-based diagnostics, the combination of analytical and heuristic knowledge for diagnosis, integration of different AI systems, and the implementation of hierarchical distributed systems. A prototype reusable rocket engine diagnostic system (ReREDS) has been implemented. The prototype user interface and diagnostic performance using SSME test data are described.
Software life cycle methodologies and environments
Products of this project will significantly improve the quality and productivity of Space Station Freedom Program software processes by: improving software reliability and safety; and broadening the range of problems that can be solved with computational solutions. Projects brings in Computer Aided Software Engineering (CASE) technology for: Environments such as Engineering Script Language/Parts Composition System (ESL/PCS) application generator, Intelligent User Interface for cost avoidance in setting up operational computer runs, Framework programmable platform for defining process and software development work flow control, Process for bringing CASE technology into an organization's culture, and CLIPS/CLIPS Ada language for developing expert systems; and methodologies such as Method for developing fault tolerant, distributed systems and a method for developing systems for common sense reasoning and for solving expert systems problems when only approximate truths are known.
NASA Lewis Research Center's combustor test facilities and capabilities
NASA Lewis Research Center (LeRC) presently accommodates a total of six combustor test facilities with unique capabilities. The facilities are used to evaluate combustor and afterburner concepts for future engine applications, and also to test the survivability and performance of innovative high temperature materials, new instrumentation, and engine components in a realistic jet engine environment. The facilities provide a variety of test section interfaces and lengths to allow for flametube, sector and component testing. The facilities can accommodate a wide range of operating conditions due to differing capabilities in the following areas: inlet air pressure, temperature, and flow; fuel flow rate, pressure, and fuel storage capacity; maximum combustion zone temperature; cooling water flow rate and pressure; types of exhaust - atmospheric or altitude; air heater supply pressure; and types of air heaters - vitiated or nonvitiated. All of the facilities have provisions for standard gas (emissions) analysis, and a few of the facilities are equipped with specialized gas analysis equipment, smoke and particle size measurement devices, and a variety of laser systems. This report will present some of the unique features of each of the high temperature/high pressure combustor test facilities at NASA LeRC.