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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 1,711 records · Page 95
All sourcesNASA NTRSDOE OSTI
NASA NTRS2022

Firefly: The Case for a Holistic Understanding of the Global Structure and Dynamics of the Sun and the Heliosphere

This white paper presents the current knowledge gaps in understanding how magnetic fields control solar (and by extension, stellar) activity in timescales from minutes to years and discusses a transformative observational approach to fill those gaps. The solar activity drives space weather as the result of dynamic magnetic fields forming in the solar interior and evolving continuously until reaching levels of complexity in the atmosphere that trigger eruptions. However, we do not fully understand how solar and, more generally, stellar magnetic fields are generated and how they evolve through the eruptive states. The major obstacle is our reliance on observations from a single viewpoint, particularly in the ecliptic plane. This vantage point can only provide limited information for (i) understanding the generation of solar magnetic fields deep in the convection zone; (ii) determining the origin of the solar cycle and predicting its timing and strength; (iii) explaining the causes of solar activity and their triggers; (iv) reliably predicting when and how CMEs will impact Earth and other planets; (v) fathoming the structure and dynamics of the corona as it creates the heliosphere; (vi) understanding the energization and transport of energetic particles; etc.

Nour E. Raouafi↗
DOE OSTI2016

Structured back gates for high-mobility two-dimensional electron systems using oxygen ion implantation

We present a reliable method to obtain patterned back gates compatible with high mobility molecular beam epitaxy via local oxygen ion implantation that suppresses the conductivity of an 80 nm thick silicon doped GaAs epilayer. Our technique was optimized to circumvent several constraints of other gating and implantation methods. The ion-implanted surface remains atomically flat which allows unperturbed epitaxial overgrowth. We demonstrate the practical application of this gating technique by using magneto-transport spectroscopy on a two-dimensional electron system (2DES) with a mobility exceeding 20 × 10{sup 6} cm{sup 2}/V s. The back gate was spatially separated from the Ohmic contacts of the 2DES, thus minimizing the probability for electrical shorts or leakage and permitting simple contacting schemes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1980

More-reliable SOS ion implantations

Conducting layer prevents static charges from accumulating during implantation of silicon-on-sapphire MOS structures. Either thick conducting film or thinner film transparent to ions is deposited prior to implantation, and gaps are etched in regions to be doped. Grounding path eliminates charge flow that damages film or cracks sapphire wafer. Prevention of charge buildup by simultaneously exposing structure to opposite charges requires equipment modifications less practical and more expensive than deposition of conducting layer.

Woo, D. S.↗
NASA NTRS1985

Composite Loads Spectra for Select Space Propulsion Structural Components

Rocket engine technology continues to demand higher performance with lighter weight components that have man-rated reliability requirements. These requirements have yielded higher operating pressures, temperatures, and transient effects as well as markedly increased mechanical vibration and flow-related loads. The difficulty in installation, cost, and potential for destroying an engine severely limited the required instrumentation and measurements to adequately define loads of key components such as turbine blades. Also, accurate analytical methodologies for defining internal flow-related loads are just emerging for problems typically found in rocket engines. The difficulty of obtained measured data and verified analysis methodologies has led to the probabilistic load definition approach.

Newell, J. F.↗
NASA NTRS1996

Coupled Structural, Thermal, Phase-Change and Electromagnetic Analysis for Superconductors

Described are the theoretical development and computer implementation of reliable and efficient methods for the analysis of coupled mechanical problems that involve the interaction of mechanical, thermal, phase-change and electromagnetic subproblems. The focus application has been the modeling of superconductivity and associated quantum-state phase-change phenomena. In support of this objective the work has addressed the following issues: (1) development of variational principles for finite elements, (2) finite element modeling of the electromagnetic problem, (3) coupling of thermal and mechanical effects, and (4) computer implementation and solution of the superconductivity transition problem. The main accomplishments have been: (1) the development of the theory of parametrized and gauged variational principles, (2) the application of those principled to the construction of electromagnetic, thermal and mechanical finite elements, and (3) the coupling of electromagnetic finite elements with thermal and superconducting effects, and (4) the first detailed finite element simulations of bulk superconductors, in particular the Meissner effect and the nature of the normal conducting boundary layer. The theoretical development is described in two volumes. This volume, Volume 1, describes mostly formulations for specific problems. Volume 2 describes generalization of those formulations.

Felippa, C. A.↗
DOE OSTI2012

Calibration of a distributed flood forecasting model with input uncertainty using a Bayesian framework

In the process of calibrating distributed hydrological models, accounting for input uncertainty is important, yet challenging. In this study, we develop a Bayesian model to estimate parameters associated with a geomorphology‐based hydrological model (GBHM). The GBHM model uses geomorphic characteristics to simplify model structure and physically based methods to represent hydrological processes. We divide the observed discharge into low‐ and high‐flow data, and use the first‐order autoregressive model to describe their temporal dependence. We consider relative errors in rainfall as spatially distributed variables and estimate them jointly with the GBHM parameters. The joint posterior probability distribution is explored using Markov chain Monte Carlo methods, which include Metropolis‐Hastings, delay rejection adaptive Metropolis, and Gibbs sampling methods. We evaluate the Bayesian model using both synthetic and field data sets. The synthetic case study demonstrates that the developed method generally is effective in calibrating GBHM parameters and in estimating their associated uncertainty. The calibration ignoring input errors has lower accuracy and lower reliability compared to the calibration that includes estimation of the input errors, especially under model structure uncertainty. The field case study shows that calibration of GBHM parameters under complex field conditions remains a challenge. Although jointly estimating input errors and GBHM parameters improves the continuous ranked probability score and the consistency of the predictive distribution with the observed data, the improvement is incremental. To better calibrate parameters in a distributed model, such as GBHM here, we need to develop a more complex model and incorporate much more information.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Marginal Cost Pricing in a World without Perfect Competition: Implications for Electricity Markets with High Shares of Low Marginal Cost Resources

A common approach to regulating electricity is through auction-based competitive wholesale markets. The goal of this approach is to provide a reliable supply of power at the lowest reasonable cost to the consumer. This necessitates market structures and operating rules that ensure revenue sufficiency for all generators needed for resource adequacy purposes. Wholesale electricity markets employ marginal-cost pricing to provide cost-effective dispatch such that resources are compensated for their operational costs. However, marginal-cost pricing alone cannot guarantee cost recovery outside of perfect competition, and electricity markets have at least six attributes that preclude them from functioning as perfectly competitive markets. These attributes include market power, externalities, public good attributes, lack of storage, wholesale price caps, and ineffective demand curve. Until (and unless) these failures are ameliorated, some form of corrective action(s) will be necessary to improve market efficiency so that prices can correctly reflect the needed level of system reliability. Many of these options necessarily involve some form of administrative or out-of-market actions, such as scarcity pricing, capacity payments, bilateral or other out-of-market contracts, or some hybrid combination. A key focus with these options is to create a connection between the electricity market and long-term reliability/loss-of-load expectation targets, which are inherently disconnected in the native markets because of the aforementioned market failures. The addition of variable generation resources can exacerbate revenue sufficiency and resource adequacy concerns caused by these underlying market failures. Because variable generation resources have near-zero marginal costs, they effectively suppress energy prices and reduce the capacity factors of conventional generators through the merit-order effect in the simplest case of a convex market; non-convexities can also suppress prices.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2016

Misoriented grain boundaries vicinal to the (111) <11¯0> twin in nickel part II: Thermodynamics of hydrogen segregation

Grain boundary engineered materials are of immense interest for their resistance to hydrogen embrittlement. This work builds on the work undertaken in Part I on the thermodynamic stability and structure of misoriented grain boundaries vicinal to the Σ3 (111) <11¯0> (coherent-twin) boundary to examine hydrogen segregation to those boundaries. The segregation of hydrogen reflects the asymmetry of the boundary structure with the sense of rotation of the grains about the coherent-twin boundary, and the temperature-dependent structural transition present in one sense of misorientation. This work also finds that the presence of hydrogen affects a change in structure of the boundaries with increasing concentration. The structural change effects only one sense of misorientation and results in the reduction in length of the emitted stacking faults. Moreover, the structural change results in the generation of occupied sites populated by more strongly bound hydrogen. The improved understanding of misoriented twin grain boundary structure and the effect on hydrogen segregation resulting from this work is relevant to higher length-scale models. To that end, we examine commonly used metrics such as free volume and atomic stress at the boundary. In conclusion, free volume is found not to be useful as a surrogate for predicting the degree of hydrogen segregation, whereas the volumetric virial stress reliably predicts the locations of hydrogen segregation and exclusion at concentrations below saturation or the point where structural changes are induced by increasing hydrogen concentration.

36 MATERIALS SCIENCE↗
NASA NTRS2011

Developing Flexible, High Performance Polymers with Self-Healing Capabilities

Flexible, high performance polymers such as polyimides are often employed in aerospace applications. They typically find uses in areas where improved physical characteristics such as fire resistance, long term thermal stability, and solvent resistance are required. It is anticipated that such polymers could find uses in future long duration exploration missions as well. Their use would be even more advantageous if self-healing capability or mechanisms could be incorporated into these polymers. Such innovative approaches are currently being studied at the NASA Kennedy Space Center for use in high performance wiring systems or inflatable and habitation structures. Self-healing or self-sealing capability would significantly reduce maintenance requirements, and increase the safety and reliability performance of the systems into which these polymers would be incorporated. Many unique challenges need to be overcome in order to incorporate a self-healing mechanism into flexible, high performance polymers. Significant research into the incorporation of a self-healing mechanism into structural composites has been carried out over the past decade by a number of groups, notable among them being the University of I1linois [I]. Various mechanisms for the introduction of self-healing have been investigated. Examples of these are: 1) Microcapsule-based healant delivery. 2) Vascular network delivery. 3) Damage induced triggering of latent substrate properties. Successful self-healing has been demonstrated in structural epoxy systems with almost complete reestablishment of composite strength being achieved through the use of microcapsulation technology. However, the incorporation of a self-healing mechanism into a system in which the material is flexible, or a thin film, is much more challenging. In the case of using microencapsulation, healant core content must be small enough to reside in films less than 0.1 millimeters thick, and must overcome significant capillary and surface tension forces to flow, mix and react to achieve healing. Vascular networks small enough to fit into such films must also overcome these same flow limitations. Self-healing has also been demonstrated in ionomeric substrates such as Surlyn , wherein the heat generated by a projectile impact triggers the latent ability of this substrate to flow back to its original shape. Recent work using Diels-Alder reactions have shown promise in bringing about actual reforming of broken chemical bonds to achieve self-healing [2]. All self-healing mechanisms that rely on the use of inherent latent substrate properties require some degree of polymer chain flow to achieve any significant level of healing.

Jolley, Scott T.↗
NASA NTRS1993

Automatic specification of reliability models for fault-tolerant computers

The calculation of reliability measures using Markov models is required for life-critical processor-memory-switch structures that have standby redundancy or that are subject to transient or intermittent faults or repair. The task of specifying these models is tedious and prone to human error because of the large number of states and transitions required in any reasonable system. Therefore, model specification is a major analysis bottleneck, and model verification is a major validation problem. The general unfamiliarity of computer architects with Markov modeling techniques further increases the necessity of automating the model specification. Automation requires a general system description language (SDL). For practicality, this SDL should also provide a high level of abstraction and be easy to learn and use. The first attempt to define and implement an SDL with those characteristics is presented. A program named Automated Reliability Modeling (ARM) was constructed as a research vehicle. The ARM program uses a graphical interface as its SDL, and it outputs a Markov reliability model specification formulated for direct use by programs that generate and evaluate the model.

Liceaga, Carlos A.↗
DOE OSTI2021

Single Atom Catalysts: A Review of Characterization Methods

Abstract Single atom catalysts (SACs) harbor a potential to exceed nanoparticle catalysts in terms of activity, stability and selectivity in a growing number of chemical reactions. Although their investigation is attracting significant attention, important fundamental questions focusing on key physicochemical properties of SACs (e. g., structure – property relationships, structural dynamics, reaction‐driven restructuring) remain unanswered. A main challenge for research in the field is how to reliably characterize the environments of single atoms in the presence of complicating factors such as low weight loadings, strong metal‐support interactions, and atomic and multiscale heterogeneity of bonding in the single atom sites. This review addresses this challenge – identifying catalytically relevant features of physicochemical properties of single atoms (charge state, electronic structure, atomic configuration, bonding interactions with a support) and surveying advanced tools/methods for characterizing them. The review places a strong emphasis on multimodal methods exploiting X‐ray absorption, emission and photoelectron spectroscopies, and provides several examples from the authors’ research that demonstrate their use as powerful tools for SAC characterization.

Kottwitz, Matthew↗
DOE OSTI2024

Covalently-Bonded Laminar Assembly of Van der Waals Semiconductors with Polymers: Toward High-Performance Flexible Devices

Van der Waals semiconductors (vdWS) offer superior mechanical and electrical properties and are promising for flexible microelectronics when combined with polymer substrates. However, the self-passivated vdWS surfaces and their weak adhesion to polymers tend to cause interfacial sliding and wrinkling, and thus, are still challenging the reliability of vdWS-based flexible devices. Here, in this study, an effective covalent vdWS–polymer lamination method with high stretch tolerance and excellent electronic performance is reported. Using molybdenum disulfide (MoS 2 ) and polydimethylsiloxane (PDMS) as a case study, gold–chalcogen bonding and mercapto silane bridges are leveraged. The resulting composite structures exhibit more uniform and stronger interfacial adhesion. This enhanced coupling also enables the observation of a theoretically predicted tension-induced band structure transition in MoS 2 . Moreover, no obvious degradation in the devices’ structural and electrical properties is identified after numerous mechanical cycle tests. This high-quality lamination enhances the reliability of vdWS-based flexible microelectronics, accelerating their practical applications in biomedical research and consumer electronics.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Multi-fidelity Uncertainty Quantification for Homogenization Problems in Structure-Property Relationships from Crystal Plasticity Finite Elements

Crystal plasticity finite element method (CPFEM) has been an integrated computational materials engineering (ICME) workhorse to study materials behaviors and structure-property relationships for the last few decades. These relations are mappings from the microstructure space to the materials properties space. Due to the stochastic and random nature of microstructures, there is always some uncertainty associated with materials properties, for example, in homogenized stress-strain curves. For critical applications with strong reliability needs, it is often desirable to quantify the microstructure-induced uncertainty in the context of structure-property relationships. However, this uncertainty quantification (UQ) problem often incurs a large computational cost because many statistically equivalent representative volume elements (SERVEs) are needed. In this article, we apply a multi-level Monte Carlo (MLMC) method to CPFEM to study the uncertainty in stress-strain curves, given an ensemble of SERVEs at multiple mesh resolutions. By using the information at coarse meshes, we show that it is possible to approximate the response at fine meshes with a much reduced computational cost. We focus on problems where the model output is multi-dimensional, which requires us to track multiple quantities of interest (QoIs) at the same time. In conclusion, our numerical results show that MLMC can accelerate UQ tasks around 2.23x, compared to the classical Monte Carlo (MC) method, which is widely known as ensemble average in the CPFEM literature.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Polymorphism and melt in high-pressure tantalum. II. Orthorhombic phases

Continuing uncertainty in the high-pressure melt curves of bcc transition metals has spawned renewed research interest in the phase diagrams of these materials, with tantalum becoming an important prototype. Here, the present paper extends the quantum-based investigation of high- T, P polymorphism and melt in Ta that was begun in Paper I [Haskins et al., Phys. Rev. B 86, 224104 (2012)] on five candidate cubic and hexagonal structures (bcc, A15, fcc, hcp, and hex-ω) to here treat four promising orthorhombic structures (Pnma, Fddd, Pmma, and α-U). Using DFT-based MGPT multi-ion potentials that allow accurate MD simulations of large systems, we showed in Paper I that the mechanically unstable fcc, hcp, and hex-ω structures can only be stabilized at high- T , P by large anharmonic vibrational effects, requiring systems of ~500 atoms to produce size-independent melt curves and reliable calculations of thermodynamic stability. This reversed a previous small-cell quantum-simulation prediction of a high- T , P hex-ω phase. Subsequent DFT calculations have now suggested a more energetically favorable and mechanically stable Pnma structure, which again small-cell quantum simulations predict could be a high- T , P phase. Our present MGPT total-energy and phonon calculations show that not only Pnma, but all four orthorhombic structures considered here, are similarly energetically favorable, and that Fddd in addition to Pnma is mechanically stable at T = 0 up to 420 GPa. MGPT-MD simulations further reveal spontaneous temperature-induced Pnma → bcc and Fddd → bcc transformations at modest temperatures, peaking at ~1450 K near 100 GPa. At high temperatures near melt, we find T -dependent c / a and b / a axial ratios and large stabilizing anharmonicity present in all four orthorhombic structures. The anharmonicity drives significantly larger melt size effects, requiring systems of ~1000 – 4000 atoms to produce converged melt curves for reliable predictions of relative thermodynamic stability. In the large-cell limit, with ~40000 solid-phase atoms and accurate two-phase MGPT-MD melt simulation, we find that Pnma, Fddd and α-U have melt temperatures that are equal to bcc over small pressure ranges in the vicinity of 100 GPa, but that the orthorhombic melt temperatures never exceed bcc up to 420 GPa. This finding suggests that Pnma, Fddd, and α-U remain highly competitive metastable phases that could coexist with bcc and possibly be observed experimentally. Finally, to add additional insight into our results we have constructed global Helmholtz free energies for the A15, Pnma, and Fddd phases of Ta, complementing previous free energies obtained for the bcc, fcc, and liquid phases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2000

A Primer In Advanced Fatigue Life Prediction Methods

Metal fatigue has plagued structural components for centuries, and it remains a critical durability issue in today's aerospace hardware. This is true despite vastly improved and advanced materials, increased mechanistic understanding, and development of accurate structural analysis and advanced fatigue life prediction tools. Each advance is quickly taken advantage of to produce safer, more reliable more cost effective, and better performing products. In other words, as the envelop is expanded, components are then designed to operate just as close to the newly expanded envelop as they were to the initial one. The problem is perennial. The economic importance of addressing structural durability issues early in the design process is emphasized. Tradeoffs with performance, cost, and legislated restrictions are pointed out. Several aspects of structural durability of advanced systems, advanced materials and advanced fatigue life prediction methods are presented. Specific items include the basic elements of durability analysis, conventional designs, barriers to be overcome for advanced systems, high-temperature life prediction for both creep-fatigue and thermomechanical fatigue, mean stress effects, multiaxial stress-strain states, and cumulative fatigue damage accumulation assessment.

Halford, Gary R.↗
NASA NTRS2002

NASA GRC Fatigue Crack Initiation Life Prediction Models

Metal fatigue has plagued structural components for centuries, and it remains a critical durability issue in today's aerospace hardware. This is true despite vastly improved and advanced materials, increased mechanistic understanding, and development of accurate structural analysis and advanced fatigue life prediction tools. Each advance is quickly taken advantage of to produce safer, more reliable, more cost effective, and better performing products. In other words, as the envelope is expanded, components are then designed to operate just as close to the newly expanded envelope as they were to the initial one. The problem is perennial. The economic importance of addressing structural durability issues early in the design process is emphasized. Tradeoffs with performance, cost, and legislated restrictions are pointed out. Several aspects of structural durability of advanced systems, advanced materials and advanced fatigue life prediction methods are presented. Specific items include the basic elements of durability analysis, conventional designs, barriers to be overcome for advanced systems, high-temperature life prediction for both creep-fatigue and thermomechanical fatigue, mean stress effects, multiaxial stress-strain states, and cumulative fatigue damage accumulation assessment.

Arya, Vinod K.↗
DOE OSTI2019

CORROSION RESISTANCE OF LASER-INTERFERENCE STRUCTURED ALUMINUM ALLOY 2024 COATED WITH MIL-PRF-85582 PRIMER

The use of aluminum alloys in aerospace industry requires more effective and reliable joining techniques. The lubricant contaminants from prior rolling operations affect surface energies and the quality of coating adhe-sion and adhesive bonded joints. In this study, a new laser-based technique is investigated as a surface treatment for coating applications. The laser interference power profile was created by splitting the beam and guiding both beams towards the specimen and overlapping them on the specimen surface, creating a line-interference pattern on the specimen surface. The laser-interference structuring (LIS) was used without any chemical treatments, such as those in chemical conversion coating (CCC) and sulfuric acid anodizing (SAA), which is a much simpler process than those chemical-based. To assess the effect of LIS on corrosion re-sistance of coating, Al 2024 panels prepared by LIS, CCC and SAA were coated with MIL-PRF-85582, Type I, Class N primer and exposed to salt spray environment according to ASTM B117. The exposure is currently in progress and the corrosion attack on the coated panels will be evaluated by the degree of blister formation and rust creepage.

Sabau, Adrian↗
DOE OSTI2022

Surface reaction for efficient and stable inverted perovskite solar cells

We report perovskite solar cells (PSCs) with an inverted structure (often referred to as the p-i-n architecture) are attractive for future commercialization due to their easily scalable fabrication, reliable operation, and compatibility with a wide range of perovskite-based tandem device architectures. However, the power conversion efficiency (PCE) of p-i-n PSCs falls behind n-i-p (or normal) structure counterparts. This large performance gap could undermine efforts to adopt p-i-n architectures, despite their other advantages. Given the remarkable advances in perovskite bulk materials optimization over the past decade, interface engineering has become the most important strategy to push PSC performance to its limit. Here, we report a reactive surface engineering approach based on a simple post-growth treatment of 3-(Aminomethyl)pyridine (3-APy) on top of a perovskite thin film. First, the 3-APy molecule selectively reacts with surface FA+, reducing perovskite surface roughness and surface potential fluctuations associated with surface steps/terraces. Second, the reaction product on the perovskite surface decreases the formation energy of charged iodine-vacancies, leading to effective n-type doping with a reduced work function in the surface region. With this reactive surface engineering, the resulting p-i-n PSCs obtained a PCE over 25%, along with retaining 87% of the initial PCE after over 2400 h of one-sun operation at about 55 degrees C in air.

14 SOLAR ENERGY↗