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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 1,351 records · Page 75
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Comparison of High-Frequency Solar Irradiance: Ground Measured vs. Satellite-Derived

High-frequency solar variability is an important to grid integration studies, but ground measurements are scarce. The high resolution irradiance algorithm (HRIA) has the ability to produce 4-sceond resolution global horizontal irradiance (GHI) samples, at locations across North America. However, the HRIA has not been extensively validated. In this work, we evaluate the HRIA against a database of 10 high-frequency ground-based measurements of irradiance. The evaluation focuses on variability-based metrics. This results in a greater understanding of the errors in the HRIA as well as suggestions for improvement to the HRIA.

14 SOLAR ENERGY↗
DOE OSTI2019

Asynchronous Ballistic Reversible Fluxon Logic

In a previous study, we described a new abstract circuit model for reversible computation called Asynchronous Ballistic Reversible Computing (ABRC), in which localized information bearing pulses propagate ballistically along signal paths between stateful abstract devices, and elastically scatter off those devices serially, while updating the device state in a logically-reversible and deterministic fashion. The ABRC model has been shown to be capable of universal computation. In the research reported here, we begin exploring how the ABRC model might be realized in practice using single flux quantum (SFQ) solitons (fluxons) in superconducting Josephson junction (JJ) circuits. One natural family of realizations could utilize fluxon polarity to represent binary data in individual pulses propagating near-ballistically along discrete or continuous long Josephson junctions (LJJs) or microstrip passive transmission lines (PTLs), and utilize the flux charge (-1, 0, +1) of a JJ-containing superconducting loop with Φ 0 < I c L < 2Φ 0 to encode a ternary state variable internal to a device. A natural question then arises as to which of the definable abstract ABRC device functionalities using this data representation might be implementable using a JJ circuit that dissipates only a small fraction of the input fluxon energy. We discuss conservation rules and symmetries considered as constraints to be obeyed in these circuits, and begin the process of classifying the possible ABRC devices in this family having up to 3 bidirectional I/O terminals, and up to 3 internal states.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Tuyere: Enabling Scalable Memory Workloads for System Exploration

Memory technologies are under active development. Meanwhile, workloads on contemporary computing systems are increasing rapidly in size and diversity. Such dynamics in hardware and software further widen the gap between memory system design and performance evaluation. In this work, we propose a data-centric abstraction of high-performance computing applications for fast exploration of new memory technologies. We also provide a framework that uses a formal modeling language to describe the abstraction, automatically translates abstractions into memory traffic, and directly interfaces with cycle-accurate simulators. We evaluated the framework using 20 workloads and validated the memory traffic profile, the simulation results, and the relative memory changes of four memory technologies. Our results show that the data-centric abstraction can accurately capture application behavior adaptable to different input problems and can expedite system exploration.

Peng, Ivy Bo↗
DOE OSTI2021

Implications of doping on microstructure, processing, and thermoelectric performance: The case of PbSe

Abstract In this work, we highlight the often-overlooked effects of doping on the microstructure and performance of bulk thermoelectric materials to offer a broader perspective on how dopants interact with their parent material. Using PbSe doped with Na, Ag, and K as a model material system, we combine original computational, experimental, and microscopy data with established trends in material behavior, to provide an in-depth discussion of the relationship between dopants, processing, and microstructure, and their effects on thermoelectric efficiency and thermal stability. Notable observations include differences in the microstructure and mass loss of thermally treated samples of Na- and Ag-doped PbSe, as well as findings that Na and K cations exist predominantly as substitutional point defects while Ag also occupies interstitial sites and exhibits lower solubility. We discuss how these differences in point defect populations are known to affect a dopants’ ability to alter carrier concentration and how they may affect the mechanical properties of PbSe during processing. Graphic Abstract

Grovogui, Jann A. (ORCID:0000000200481049)↗
DOE OSTI2023

Understanding oxidation of Fe-Cr-Al alloys through explainable artificial intelligence

Abstract The oxidation resistance of FeCrAl based on alloying composition and oxidizing conditions is predicted using a combinatorial experimental and artificial intelligence approach. A neural network (NN) classification model was trained on the experimental FeCrAl dataset produced at GE Research. Furthermore, using the SHapley Additive exPlanations (SHAP) explainable artificial intelligence (XAI) tool, we explore how the NN can showcase further material insights that are unavailable directly from a black-box model. We report that high Al and Cr content forms protective oxide layer, while Mo in FeCrAl creates thick unprotective oxide scale that is vulnerable to spallation due to thermal expansion. Graphical abstract

Materials Science↗
DOE OSTI2013

Synthesis of main group, rare-earth, and d{sup 0} metal complexes containing beta-hydrogen

A series of organometallic compounds containing the tris(dimethylsilyl)methyl ligand are described. The potassium carbanions KC(SiHMe 2 ) 3 and KC(SiHMe 2 }) 3 TMEDA are synthesized by deprotonation of the hydrocarbon HC(SiHMe 2 ) 3 with potassium benzyl. KC(SiHMe 2 ) 3 TMEDA crystallizes as a dimer with two types of three-center-two-electron KH- Si interactions. Homoleptic Ln(III) tris(silylalkyl) complexes containing β-SiH groups M{C(SiHMe 2 ) 3 } 3 (Ln = Y, Lu, La) are synthesized from salt elimination of the corresponding lanthanide halide and 3 equiv. of KC(SiHMe 2 ) 3 . The related reactions with Sc yield bis(silylalkyl) ate-complexes containing either LiCl or KCl. The divalent calcium and ytterbium compounds M{C(SiHMe 2 ) 3 } 2 L (M = Ca, Yb; L = THF 2 or TMEDA) are prepared from MI 2 and 2 equiv of KC(SiHMe 2 ) 3 . The compounds M{C(SiHMe 2 ) 3 } 2 L (M = Ca, Yb; L = THF 2 or TMEDA) and La{C(SiHMe 2 ) 3 } 3 react with 1 equiv of B(C 6 F 5 ) 3 to give 1,3- disilacyclobutane {Me2Si-C(SiHMe2)2}2 and MC(SiHMe2)3HB(C6F5)3L, and La{C(SiHMe 2 ) 3 } 2 HB(C 6 F 5 ) 3 , respectively. The corresponding reactions of Ln{C(SiHMe 2 ) 3 } 3 (Ln = Y, Lu) give the β-SiH abstraction product [{(Me 2 HSi) 3 C} 2 LnC(SiHMe 2 ) 2 SiMe 2 ][HB(C 6 F 5 ) 3 ] (Ln = Y, Lu), but the silene remains associated with the Y or Lu center. The abstraction reactions of M{C(SiHMe 2 ) 3 } 2 L (M = Ca, Yb; L = THF 2 or TMEDA) and Ln{C(SiHMe 2 ) 3 } 3 (Ln = Y, Lu, La) and 2 equiv of B(C 6 F 5 ) 3 give the expected dicationic M{HB(C 6 F 5 ) 3 } 2 L (M = Ca, Yb; L = THF 2 or TMEDA) and dicationic mono(silylalkyl) LnC(SiHMe 2 ) 3 {HB(C 6 F 5 ) 3 } 2 (Ln = Y, Lu, La), respectively. Salt metathesis reactions of Cp 2 (NR 2 )ZrX (X = Cl, I, OTf; R = t-Bu, SiHMe 2 ) and lithium hydrosilazide ultimately afford hydride products Cp 2 (NR 2 )ZrH that suggest unusual β-hydrogen elimination processes. A likely intermediate in one of these reactions, Cp 2 Zr[N(SiHMe 2 )t-Bu][N(SiHMe 2 ) 2 ], is isolated under controlled synthetic conditions. Addition of alkali metal salts to this zirconium hydrosilazide compound produces the corresponding zirconium hydride. However as conditions are varied, a number of other pathways are also accessible, including C-H/Si-H dehydrocoupling, γ-abstraction of a CH, and β-abstraction of a SiH. Our observations suggest that the conversion of (hydrosilazido)zirconocene to zirconium hydride does not follow the classical four-center β- elimination mechanism.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Initial CEED API (CEED-MS10)

Key components of CEED software development involve fast finite element operator storage and evaluation, architecture optimizations, performant algorithms for all orders, global kernels for finite element operators, efficient use of the memory sub-system, optimal data locality and motion, enhanced scalability and parallelism, and fast tensor contractions. As ultimate goals of the project, CEED is exploring and identifying the best algorithms for the full range of discretizations and applying algorithmic and software development to support ECP applications’ needs. In this milestone, we initiated the development and implementation of a common CEED API consisting of two main components: low-level and high-level APIs. We accomplished the goal of having the low-level component ready for the release of CEED v1.0 in the next quarter, see CEED-MS13. In this report we also provide a highlight from CEED’s integration with the MARBL app and the corresponding Laghos miniapp. A main theme in this work has been the systematic transition of advanced algorithms, developed and tested in Laghos, to the large-scale multi-physics settings of the MARBL code. The low-level CEED API provides a set of FE kernels and components for writing new low-level kernels. Examples include: vector and sparse linear algebra, element matrix assembly over a batch of elements, partial assembly and action for efficient high-order operators like mass, diffusion, advection, etc. The main goal of the low-level API is to establish the basis for the high-level API. Also, identifying such low-level kernels and providing a reference implementation for them serves as the basis for collaboration with vendors and STs. Another goal for the low-level API is to make it easy for applications with their own discretization infrastructure, who do not want to switch directly to using the high-level CEED API, to still evaluate and use the core operations provided by the low-level API. One of the challenges with high-order methods is that a global sparse matrix is no longer a good representation of a high-order linear operator, both with respect to the FLOPs needed for its evaluation, as well as the memory transfer needed for a matvec. Thus, another important question we tried to address while developing the low-level API is: is it possible to abstract out in a natural and efficient way the different implementations and data structures that arise when dealing with various computational device types: CPUs, GPUs, etc. Fully answering this question is beyond the scope of this particular milestone, since that requires longer time as we develop and expand the devices we support. The future high-level API will be the frontend provided by CEED consisting of high-level abstractions such as meshes, finite element spaces and solutions, bilinear forms, solvers, etc. At this high-level, an important aspect of the API will be to provide a uniform abstraction layer for writing code in a portable manner. To achieve that, we plan to utilize the MPI programming model combined with a device abstraction layer (DAL) for finite element computations that we will develop. The DAL will serve as the bridge between the low- and the high-level APIs, allowing a variety of programming models to be used for the low-level kernel implementations. The software artifacts delivered as part of this milestone include an initial CEED API software implementation (libCEED) provided through the CEED website, http://ceed.exascaleproject.org and the CEED GitHub organization, http://github.com/ceed. In addition to details and results from the above R&D efforts, in this document we are also reporting on other project-wide activities performed in Q1 of FY18, including: the Nek5000 v17.0 MFEM v3.3.2 and PETSc v3.8 releases, collaborations with ECP/ST and SciDAC projects, the inaugural Nek5000 hackathon and various outreach activities.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1978

Programmable formatting of program text: Experiences drawn from the TAMPR system

The TAMPR System originated as an approach to the problem of automating the routine modifications of FORTRAN source programs required to adapt them to a variety of uses or environments. Three steps are involved: (1) A FORTRAN source program is processed by the TAMPR Recognizer, yielding essentially a parse tree called the abstract form, (2) the Transformation Interpreter applies IGT's (Intragrammatical Transformations) to the abstract form as tree operations, and (3) the abstract form is then reconverted to source program form by the Formatter. By ensuring that the transformations are applied only to the correct syntactic entities and only in the intended contexts, the use of the abstract form greatly simplifies establishing the reliability of the overall process.

Dritz, K. W.↗
NASA NTRS1981

Hierarchical specification of the SIFT fault tolerant flight control system

The specification and mechanical verification of the Software Implemented Fault Tolerance (SIFT) flight control system is described. The methodology employed in the verification effort is discussed, and a description of the hierarchical models of the SIFT system is given. To meet the objective of NASA for the reliability of safety critical flight control systems, the SIFT computer must achieve a reliability well beyond the levels at which reliability can be actually measured. The methodology employed to demonstrate rigorously that the SIFT computer meets as reliability requirements is described. The hierarchy of design specifications from very abstract descriptions of system function down to the actual implementation is explained. The most abstract design specifications can be used to verify that the system functions correctly and with the desired reliability since almost all details of the realization were abstracted out. A succession of lower level models refine these specifications to the level of the actual implementation, and can be used to demonstrate that the implementation has the properties claimed of the abstract design specifications.

Melliar-Smith, P. M.↗
NASA NTRS1983

Intrinsic adaptive mesh techniques

An alternating direction adaptive grid movement code was developed and a thesis adaptive angular meshes was directed. The alternating direction code was also established on the NASA Langley computer system and is available for use there. In essence, grid points are moved on an abstract surface above physical space by means of alternating coordinate directions. The abstract surface is formed with the salient solution properties if they can be extracted by a priori physical reasoning; or otherwise, in the absence of such reasoning, by the use of error estimates in some chosen norm. Upon formulation, all important driving properties for adaptive purposes are consolidated into one object - the abstract surface. At a basic level, a uniform distribution of surface points is equivalent to gradient resolution. This arises from a projection back down into physical space. At a higher level, a more accurate view of the abstract surface is obtained when changes in surface direction are also resolved. The appropriate measure for direction changes is normal curvature. It is defined as the rate of change of surface tangent planes as a surface coordinate curve is transversed in uniform increments of arc length.

Eiseman, P. R.↗
NASA NTRS1983

The Hierarchical Specification and Mechanical Verification of the SIFT Design

The formal specification and proof methodology employed to demonstrate that the SIFT computer system meets its requirements are described. The hierarchy of design specifications is shown, from very abstract descriptions of system function down to the implementation. The most abstract design specifications are simple and easy to understand, almost all details of the realization were abstracted out, and are used to ensure that the system functions reliably and as intended. A succession of lower level specifications refines these specifications into more detailed, and more complex, views of the system design, culminating in the Pascal implementation. The section describes the rigorous mechanical proof that the abstract specifications are satisfied by the actual implementation.

Source record↗
NASA NTRS1983

Verification of Numerical Algorithms

The following strategy is suggested for specification and proof: (1) Defer the construction of a formal program specification with respect to I/O assertions unit the correctness of the program with respect to an abstract mathematical model of program intent is demonstrated. (2) Prove that an abstract machine (using infinite precision arithmetic) would compute that object exactly. (3) Prove that the computational sequences of arithmetic operations that occur in the abstract machine must be precisely the same at every step as those occurring on an actual machine (with finite precision arithmetic), executing the same program. (4) Use a Verification Conditions VC-generator that knows about the semantics of arithmetic operations to annotate the program with assertions that bound (or in some circumstances estimate) the difference between the actual machine state variables and the corresponding ones of the abstract machine. Construct the formal program specification by combining the verification conditions into theorems about computational error that can be proved with mechanical assistance.

Source record↗
NASA NTRS1988

Automated generation of reliability models

The abstract semi-Markov specification interface to the SURE (Semi-Markov Range Evaluator) tool (ASSIST) program allows the user to describe the Markov model in a high-level language. Instead of listing the individual states of the model, the user specifies the rules governing the behavior of the system, and these are used to automatically generate the model. A small number of statements in the abstract language can describe a large, complex model. Becuase no assumptions are made about the system being modeled, ASSIST can be used to generate models describing the behavior of any type of system. The abstract model definition and the automatic model generation strategy are described. Analysis of an example fault-tolerant architecture, a triad of processor with cold spare processors, shows how the behavior of a system can be captured by a few general rules. The syntax of the ASSIST input language is then described and demonstrated by creating a model to describe the fault behavior of the example architecture. The flexibility of the abstract language is demonstrated by expanding the example to model multiple triads of processors sharing a pool of cold spare processors.

Johnson, Sally C.↗