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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
NASA NTRS2023

Identifying and Documenting Expert Knowledge, A Practical Study of Design Patterns

Globalization, powered by digitization, is increasing technology growth and knowledge transfer rates to levels not seen in the previous 3500 years, obscuring absolute truth and accelerating rates of innovation and production. Competing,or remaining competitive, in this global marketplace requires a learning organization adopt a method of capture, retention, and reuse for demonstrated tacit knowledge to accelerate the development of increasingly complex systems of high quality at a reasonable cost. The architectural theory of Patterns and Pattern Language is a validated methodology for mining tacit domain knowledge from a proven system. This work applies architectural theory to a multi-year development experiment and captures exposed knowledgeas a design patternin a model based systems engineering tool, demonstrating applicability ofdigital engineering initiativesin thedescription and reuse of expert design knowledge.By creating and archiving model based expressions of expert knowledge,a learning organization canimprovepractical decision making and avoid uninformed concept phase decision making

systems engineering↗
DOE OSTI2025

A stress-sensitive precipitate nucleation model beyond classical nucleation theory

The dynamic evolution of precipitates and second phases dictates the strength and stability of most engineering alloys. By design, or as a consequence of thermo-mechanical aging, engineering metals and alloys often form precipitates of second phases when subjecting to diverse thermal and mechanical loads. Precipitation is governed by several factors, including the alloy’s composition, processing/operating temperature, and stresses — either as a result of external loads or from residual stresses. However, state-of-the-art models for precipitate nucleation (i.e., classical nucleation theory) typically lacks consistent method to capture the effects of externally applied and/or internal stresses on nucleation; thereby severely limiting the applicability of these models to complex materials systems and to representative loading scenarios. Here, in this work, we extend upon classical nucleation theory to account for the effect of stresses on precipitation kinetics and thermodynamics. This is achieved via the use of an Eshelbian micromechanics framework keeping track of (i) the stress build up resulting from second phase formation as a function of mechanical load and, (ii) the effects of dislocations on precipitate formation. This new model is applied to σ precipitate in Fe–Cr binary alloys and M 23 C 6 precipitate in 316H stainless steel (SS). Simulations demonstrate the important role of both the remotely applied loads and dislocation pile ups on precipitate nucleation.

36 MATERIALS SCIENCE↗
NASA NTRS1986

COFS 1: Beam dynamics and control technology overview

The Control of Flexible Structures (COFS) 1 Project provides the invaluable opportunity to test, validate, and measure the effectiveness of theories, structural concepts, control systems, and flight certification processes for future missions through a research program focusing on multiple issues in large flexible structures, dynamics, and controls. The COFS 1 Project consists of a series of ground and flight activities building progressively from modeling and dynamic characterization of large space systems to the more complex issues of flexible-body control. The program objectives are to: determine the degree to which theory and ground testing can predict flight performance of next-generation low-frequency structures; evaluate structural fidelity of representative next-generation large deployable precision structure; assess math modeling requirements for large lightweight complex systems on which ground test results are questionable; determine degree to which scale model analysis and tests can be correlated to full-scale performance; evaluate system identification and state estimation algorithms on complex lightweight structures in the space environment; evaluate and verify controls/structures modeling capability; evaluate control laws and control systems; and evaluate damping effects in micro-g environment.

Allen, John L.↗
NASA NTRS1998

Explaining Synthesized Software

Motivated by NASA's need for high-assurance software, NASA Ames' Amphion project has developed a generic program generation system based on deductive synthesis. Amphion has a number of advantages, such as the ability to develop a new synthesis system simply by writing a declarative domain theory. However, as a practical matter, the validation of the domain theory for such a system is problematic because the link between generated programs and the domain theory is complex. As a result, when generated programs do not behave as expected, it is difficult to isolate the cause, whether it be an incorrect problem specification or an error in the domain theory. This paper describes a tool we are developing that provides formal traceability between specifications and generated code for deductive synthesis systems. It is based on extensive instrumentation of the refutation-based theorem prover used to synthesize programs. It takes augmented proof structures and abstracts them to provide explanations of the relation between a specification, a domain theory, and synthesized code. In generating these explanations, the tool exploits the structure of Amphion domain theories, so the end user is not confronted with the intricacies of raw proof traces. This tool is crucial for the validation of domain theories as well as being important in everyday use of the code synthesis system. It plays an important role in validation because when generated programs exhibit incorrect behavior, it provides the links that can be traced to identify errors in specifications or domain theory. It plays an important role in the everyday use of the synthesis system by explaining to users what parts of a specification or of the domain theory contribute to what pieces of a generated program. Comments are inserted into the synthesized code that document these explanations.

VanBaalen, Jeffrey↗
DOE OSTI2026

Accelerating lattice gauge theory studies with Agentic AI

Lattice gauge theory research, with its computationally intensive simulations and complex multi‑stage workflows, is well positioned to benefit from agentic AI systems. We demonstrate how such tools can support key components of lattice gauge theory research, including novel simulation code development using standard LQCD frameworks, HPC job orchestration, simulation data analysis, and expert‑guided tuning of algorithmic parameters such as Hasenbusch mass preconditioning and multigrid solvers. Our results show that agentic AI can reduce manual effort, improve productivity, and accelerate the research cycle while maintaining essential human oversight.

Ayyar, Venkitesh [Fermilab]↗
NASA NTRS1993

Robust root clustering for linear uncertain systems using generalized Lyapunov theory

Consideration is given to the problem of matrix root clustering in subregions of a complex plane for linear state space models with real parameter uncertainty. The nominal matrix root clustering theory of Gutman & Jury (1981) using the generalized Liapunov equation is extended to the perturbed matrix case, and bounds are derived on the perturbation to maintain root clustering inside a given region. The theory makes it possible to obtain an explicit relationship between the parameters of the root clustering region and the uncertainty range of the parameter space.

Yedavalli, R. K.↗
DOE OSTI2025

Accelerating Instanton Theory with the Line Integral Nudged Elastic Band Method and Gaussian Process Regression

Quantum tunneling plays a fundamental role in many chemical reactions, particularly proton transfer processes. Ring polymer instanton theory offers a practical framework for computing tunneling rates in complex molecular systems. However, applying the ring polymer instanton method with a potential energy surface generated on-the-fly using electronic structure calculations can be computationally demanding. Here, in this work, we present a new efficient implementation of the ring polymer instanton method by combining the Line Integral Nudged Elastic Band (LI-NEB) approach with Gaussian Process Regression (GPR). We benchmarked this method on prototypical ground-state proton transfer systems, including the benchmark gas-phase hydrogen abstraction reaction H + CH 4 → H 2 + CH 3 , malonaldehyde, and Z-3-amino-propenal (aminopropenal). Our results show that this approach is an order of magnitude faster than traditional instanton algorithms while maintaining excellent agreement with their tunneling rates. This development opens the door to studying proton transfer in larger systems with improved efficiency.

chemical physics↗
NASA NTRS1974

Theoretical study of production of unique glasses in space

Analytical functional relationships describing homogeneous nucleation and crystallization in various supercooled liquids were developed. The time and temperature dependent relationships of nucleation and crystallization (intrinsic properties) are being used to relate glass forming tendency to extrinsic parameters such as cooling rate through computer simulation. Single oxide systems are being studied initially to aid in developing workable kinetic models and to indicate the primary materials parameters affecting glass formation. The theory and analytical expressions developed for simple systems is then extended to complex oxide systems. A thorough understanding of nucleation and crystallization kinetics of glass forming systems provides a priori knowledge of the ability of a given system to form a glass.

Larsen, D. C.↗
NASA NTRS1981

Edge delamination in angle-ply composite laminates

Edge delamination has caused severe concern in the design and analysis of advanced composite materials and structures. Due to its complex nature, very limited knowledge for the problem is currently available. It involves not only geometric and material discontinuities but also inherently coupled mode I, II and III fracture in the layered anisotropic system. Based on complex-variable stress potentials in the anisotropic elasticity theory and eigenfunction expansion, exact orders of the crack-tip stress singularity and complete field solutions are obtained. Results are given for edge delaminated, angle-ply composites subjected to uniform axial extension for illustrative purposes. Effects of geometric, lamination, and crack variables are determined.

Wang, S. S.↗
NASA NTRS1989

Nonlinear and adaptive control

The primary thrust of the research was to conduct fundamental research in the theories and methodologies for designing complex high-performance multivariable feedback control systems; and to conduct feasibiltiy studies in application areas of interest to NASA sponsors that point out advantages and shortcomings of available control system design methodologies.

Athans, Michael↗
NASA NTRS1995

Property-Based Software Engineering Measurement

Little theory exists in the field of software system measurement. Concepts such as complexity, coupling, cohesion or even size are very often subject to interpretation and appear to have inconsistent definitions in the literature. As a consequence, there is little guidance provided to the analyst attempting to define proper measures for specific problems. Many controversies in the literature are simply misunderstandings and stem from the fact that some people talk about different measurement concepts under the same label (complexity is the most common case). There is a need to define unambiguously the most important measurement concepts used in the measurement of software products. One way of doing so is to define precisely what mathematical properties characterize these concepts regardless of the specific software artifacts to which these concepts are applied. Such a mathematical framework could generate a consensus in the software engineering community and provide a means for better communication among researchers, better guidelines for analysis, and better evaluation methods for commercial static analyzers for practitioners. In this paper, we propose a mathematical framework which is generic, because it is not specific to any particular software artifact, and rigorous, because it is based on precise mathematical concepts. This framework defines several important measurement concepts (size, length, complexity, cohesion, coupling). It is not intended to be complete or fully objective; other frameworks could have been proposed and different choices could have been made. However, we believe that the formalism and properties we introduce are convenient and intuitive. In addition, we have reviewed the literature on this subject and compared it with our work. This framework contributes constructively to a firmer theoretical ground of software measurement.

Briand, Lionel↗
NASA NTRS1996

Cygnus X-1: A Case for a Magnetic Accretion Disk?

With the advent of Rossi X-ray Timing Explorer (RXTE), which is capable of broad spectral coverage and fast timing, as well as other instruments which are increasingly being used in multi-wavelength campaigns (via both space-based and ground-based observations), we must demand more of our theoretical models. No current model mimics all facets of a system as complex as an x-ray binary. However, a modern theory should qualitatively reproduce - or at the very least not fundamentally disagree with - all of Cygnus X-l's most basic average properties: energy spectrum (viewed within a broader framework of black hole candidate spectral behavior), power spectrum (PSD), and time delays and coherence between variability in different energy bands. Below we discuss each of these basic properties in turn, and we assess the health of one of the currently popular theories: Comptonization of photons from a cold disk. We find that the data pose substantial challenges for this theory, as well as all other in currently discussed models.

Nowak, Michael A.↗
NASA NTRS1997

Property-Based Software Engineering Measurement

Little theory exists in the field of software system measurement. Concepts such as complexity, coupling, cohesion or even size are very often subject to interpretation and appear to have inconsistent definitions in the literature. As a consequence, there is little guidance provided to the analyst attempting to define proper measures for specific problems. Many controversies in the literature are simply misunderstandings and stem from the fact that some people talk about different measurement concepts under the same label (complexity is the most common case). There is a need to define unambiguously the most important measurement concepts used in the measurement of software products. One way of doing so is to define precisely what mathematical properties characterize these concepts, regardless of the specific software artifacts to which these concepts are applied. Such a mathematical framework could generate a consensus in the software engineering community and provide a means for better communication among researchers, better guidelines for analysts, and better evaluation methods for commercial static analyzers for practitioners. In this paper, we propose a mathematical framework which is generic, because it is not specific to any particular software artifact and rigorous, because it is based on precise mathematical concepts. We use this framework to propose definitions of several important measurement concepts (size, length, complexity, cohesion, coupling). It does not intend to be complete or fully objective; other frameworks could have been proposed and different choices could have been made. However, we believe that the formalisms and properties we introduce are convenient and intuitive. This framework contributes constructively to a firmer theoretical ground of software measurement.

Briand, Lionel C.↗
NASA NTRS2004

Environmental Monitoring for Situation Assessment using Mobile and Fixed Sensors

This project was co-led by Dr. Sheila McIlraith and Prof. Richard Fikes. Substantial research results and published papers describing those results were produced in multiple technology areas, including the following: 1) Monitoring a Complex Physical System using a Hybrid Dynamic Bayes Net; 2) A Formal Theory of Testing for Dynamical Systems; 3) Diagnosing Hybrid Systems Using a Bayesian Model Selection Approach.

Fikes, Richard↗
NASA NTRS1994

VAPEPS Management Center

VAPEPS is a computer program that utilizes statistical energy analysis (SEA) theory and SEA extrapolation methods to predict the vibroacoustic environments in complex systems.

vibroacoustic↗
DOE OSTI2025

Connecting relativistic density functional theory to microscopic calculations

The development of systematic effective field theories (EFTs) for nuclear forces and advances in solving the nuclear many-body problem have greatly improved our understanding of dense nuclear matter and the structure of finite nuclei. For global nuclear calculations, density functional theories (DFTs) have been developed to reduce the complexity and computational cost required in describing nuclear systems. However, DFT often makes approximations and assumptions about terms included in the functional, which may introduce systematic uncertainties compared to microscopic calculations using EFTs. In this work, we investigate possible avenues of improving nuclear DFT using nonlinear relativistic mean-field (RMF) theory. We explore the impact of RMF model extensions by fitting the nonlinear RMF model to predictions of nuclear matter and selected closed-shell nuclei using four successful chiral EFT Hamiltonians. We find that these model extensions are impactful and important in capturing the physics present within chiral Hamiltonians, particularly for charge radii and neutron skins of closed-shell nuclei. However, there are additional effects that are not captured within the RMF model, particularly within the isoscalar sector of RMF theory. Additional model extensions and the reliability of the nonlinear RMF model are discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Ligand‐Mediated Quantum Yield Enhancement in 1‐D Silver Organothiolate Metal–Organic Chalcogenolates

X-ray free electron laser (XFEL) microcrystallography and synchrotron single-crystal crystallography are used to evaluate the role of organic substituent position on the optoelectronic properties of metal–organic chalcogenolates (MOChas). MOChas are crystalline 1D and 2D semiconducting hybrid materials that have varying optoelectronic properties depending on composition, topology, and structure. While MOChas have attracted much interest, small crystal sizes impede routine crystal structure determination. A series of constitutional isomers where the aryl thiol is functionalized by either methoxy or methyl ester are solved by small molecule serial femtosecond X-ray crystallography (smSFX) and single crystal rotational crystallography. While all the methoxy examples have a low quantum yield (0-1%), the methyl ester in the ortho position yields a high quantum yield of 22%. Here, the proximity of the oxygen atoms to the silver inorganic core correlates to a considerable enhancement of quantum yield. Four crystal structures are solved at a resolution range of 0.8–1.0 Å revealing a collapse of the 2D topology for functional groups in the 2- and 3- positions, resulting in needle-like crystals. Further analysis using density functional theory (DFT) and many-body perturbation theory (MBPT) enables the exploration of complex excitonic phenomena within easily prepared material systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗