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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 1,117 records · Page 62
All sourcesNASA NTRSDOE OSTI
NASA NTRS1986

The growth of radiative filamentation modes in sheared magnetic fields

Observations of prominences show them to require well-developed magnetic shear and to have complex small-scale structure. Researchers show here that these features are reflected in the results of the theory of radiative condensation. Researchers studied, in particular, the influence of the nominally negligible contributions of perpendicular (to B) thermal conduction. They find a large number of unstable modes, with closely spaced growth rates. Their scale widths across B show a wide range of longitudinal and transverse sizes, ranging from much larger than to much smaller than the magnetic shear scale, the latter characterization applying particularly in the direction of shear variation.

Vanhoven, Gerard↗
NASA NTRS1989

Designing ceramic components with the CARES computer program

NASA-Lewis has developed a public-domain computer program, designated 'Ceramic Analysis and Reliability Evaluation of Structures' (CARES) for calculating the fast-fracture reliability of macroscopically isotropic ceramic components subjected to the complex thermomechanical loadings typical of heat engines. The design methodology employed by CARES encompasses linear elastic fracture mechanics theory, extreme value statistics, and material microstructures; component integrity is conceived as a function of the entire field solution of the stresses, rather than being based solely on the most highly stressed point.

Nemeth, Noel N.↗
NASA NTRS1992

Panel-Method Computer Code For Potential Flow

Low-order panel method used to reduce computation time. Panel code PMARC (Panel Method Ames Research Center) numerically simulates flow field around or through complex three-dimensional bodies such as complete aircraft models or wind tunnel. Based on potential-flow theory. Facilitates addition of new features to code and tailoring of code to specific problems and computer-hardware constraints. Written in standard FORTRAN 77.

Ashby, Dale L.↗
NASA NTRS2018

Segregation and Phase Transformations Along Superlattice Intrinsic Stacking Faults in Ni-Based Superalloys

In this study, local chemical and structural changes along superlattice intrinsic stacking faults combine to represent an atomic-scale phase transformation. In order to elicit stacking fault shear, creep tests of two different single crystal Ni-base superalloys, ME501 and CMSX-4, were performed near 750 degrees Centigrade using stresses of 552 megapascals and 750 megapascals, respectively. Through high resolution Scanning Transmission Electron Microscopy (STEM) and state-of-the-art energy dispersive x-ray spectroscopy, ordered compositional changes were measured along SISFs (Superlattice Intrinsic Stacking Faults) in both alloys. For both instances, the elemental segregation and local crystal structure present along the SISFs are consistent with a nanoscale to D019 (ordering of a hexagonal close-packed crystal) phase transformation. Another notable observation is prominent Cr- and Co-rich Cottrell atmospheres and new evidence of more complex reordering processes responsible for the formation of these faults. These findings are further supported using density functional theory calculations and High Angle Annular Dark Field (HAADF) STEM image simulations.

STEM-EDS↗
DOE OSTI2024

MFANS 2024 - Formally Proving Characteristics of Cyber-Physical Systems

Cyber-physical systems (CPS) are engineered systems that rely on the smooth integration of computational algorithms and physical elements. This integration presents new challenges for verifying that systems will behave as expected. The goal of this presentation is to present current challenges and potential solutions for the formal verification of cyber-physical systems. For cyber systems, formal methods refer to systematically rigorous mathematical techniques employed in the specification, development, analysis, and verification of both software and hardware systems. Recent advancements in computer science have yielded sophisticated tools specifically designed to address challenges associated with formal methods in complex systems. These tools leverage various foundational concepts such as logic, formal languages, program semantics, type systems, type theory, and automata theory. A notable achievement in the application of formal methods is the seL4 microkernel, claimed to be the first general-purpose operating-system kernel to be verified. Its proof implies the absence of bugs and guarantees that the kernel meets specifications. For physical systems, dynamic and control theory has a history of using rigorous analytic techniques to prove functional correctness. Lyapunov, optimal, classical, modern, and robust control theories all provide rigorous mathematical methods both to analyze system performance and to design controller that can be guaranteed to meet certain objectives. Recent computational techniques like level set theory and reachability analysis provide assertions that a system's state will avoid unsafe regions. Even though success has been independently achieved for cyber systems and physical systems, the integration of such systems creates new challenges. In particular, there is an obvious discrepancy between finite-state machines and infinite-state systems, resulting in different approaches for modeling and analyzing these system. While it is possible to simulate hybrid systems, this provides only a demonstration of a performance and not proof. For hybrid systems, current formal methods and system analysis approaches typically require a workarounds to work on hybrid systems like CPS. This paper will outline the state of the art and limits of current practice for formally verifying CPS and will identify possible research directions that require attention.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Femtosecond X-ray Spectroscopy Directly Quantifies Transient Excited-State Mixed Valency

Quantifying charge delocalization associated with short-lived photoexcited states of molecular complexes in solution remains experimentally challenging, requiring local element specific femtosecond experimental probes of time-evolving electron transfer. In this study, we quantify the evolving valence hole charge distribution in the photoexcited charge transfer state of a prototypical mixed valence bimetallic iron–ruthenium complex, [(CN) 5 Fe II CNRu III (NH 3 ) 5 ]-, in water by combining femtosecond X-ray spectroscopy measurements with time-dependent density functional theory calculations of the excited-state dynamics. We estimate the valence hole charge that accumulated at the Fe atom to be 0.6 ± 0.2, resulting from excited-state metal-to-metal charge transfer, on an ~ 60 fs time scale. Our combined experimental and computational approach provides a spectroscopic ruler for quantifying excited-state valency in solvated complexes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1999

Phenomenological Theory of the Translational Relaxation Times in Gases

The exact solution to the classical equations governing the translational dispersion and absorption of sound in a gas obscures its relaxational character because of its mathematical complexity. The approach taken here is to solve the secular equation by the method of Pade approximants, which even to the relatively low order R(sub 11) yields a remarkably close approximation to the exact solution over a wide range of frequency/pressure (f/P) ratios. As a result, translational relaxation can be formulated in terms of a conventional relaxation process with well-defined relaxation times, relaxation strength, collision numbers, additivity relations, etc. To extend the theory to high values of f/P ratio, a model is proposed to account for the noncontinuum behavior of the transport coefficients (viscosity and thermal conductivity) as the molecular mean free path approaches the acoustical enclosure dimensions. The theoretical dispersion and absorption show good agreement with measurements in argon over the classical and transition regions of f/P, but a discrepancy appears at higher values of f/P, where collective propagating modes, assumed in the theory, give way to single-particle modes, prevailing in the experiments.

Zuckerwar, Allan J.↗
DOE OSTI2021

Infrared spectroscopy of RG–Co + (H 2 O) complexes (RG = Ar, Ne, He): The role of rare gas “tag” atoms

RG n –Co + (H 2 O) cation complexes (RG = Ar, Ne, He) are generated in a supersonic expansion by pulsed laser vaporization. Here, complexes are mass-selected using a time-of-flight spectrometer and studied with infrared laser photodissociation spectroscopy, measuring the respective mass channels corresponding to the elimination of the rare gas “tag” atom. Spectral patterns and theory indicate that the structures of the ions with a single rare gas atom have this bound to the cobalt cation opposite the water moiety in a near-C 2v arrangement. The O–H stretch vibrations of the complex are shifted compared to those of water because of the metal cation charge-transfer interaction; these frequencies also vary systematically with the rare gas atom attached. The efficiencies of photodissociation also vary with the rare gas atoms because of their widely different binding energies to the cobalt cation. The spectrum of the argon complex could only be measured when at least three argon atoms were attached. In the case of the helium complex, the low binding energy allows the spectra to be measured for the low-frequency H–O–H scissors bending mode and for the O–D stretches of the deuterated analog. The partially resolved rotational structure for the antisymmetric O–H and O–D stretches reveals the temperature of these complexes (6 K) and establishes the electronic ground state. The helium complex has the same 3 B 1 ground state as the tag-free complex studied previously by Metz and co-workers (2013), but the A rotational constant is contaminated by vibrational averaging from the bending motion of the helium.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2017

Axiomatic Design of Space Life Support Systems

Systems engineering is an organized way to design and develop systems, but the initial system design concepts are usually seen as the products of unexplained but highly creative intuition. Axiomatic design is a mathematical approach to produce and compare system architectures. The two axioms are:- Maintain the independence of the functional requirements.- Minimize the information content (or complexity) of the design. The first axiom generates good system design structures and the second axiom ranks them. The closed system human life support architecture now implemented in the International Space Station has been essentially unchanged for fifty years. In contrast, brief missions such as Apollo and Shuttle have used open loop life support. As mission length increases, greater system closure and increased recycling become more cost-effective.Closure can be gradually increased, first recycling humidity condensate, then hygiene wastewater, urine, carbon dioxide, and water recovery brine. A long term space station or planetary base could implement nearly full closure, including food production. Dynamic systems theory supports the axioms by showing that fewer requirements, fewer subsystems, and fewer interconnections all increase system stability. If systems are too complex and interconnected, reliability is reduced and operations and maintenance become more difficult. Using axiomatic design shows how the mission duration and other requirements determine the best life support system design including the degree of closure.

Axiomatic design↗
DOE OSTI2026

Realization of a Quantum Slide Rule for 1+1 Dimensional Quantum Field Theories Using Josephson Superconducting Circuits

We have built a special type of electronic circuit—a “superconducting quantum simulator”—that allows us to mimic the behavior of complex quantum systems that are impossible to compute with ordinary computers. Our device is a long transmission line made of thousands of tiny superconducting junctions, acting as a one-dimensional “vacuum” for microwave photons. By terminating this line with a tunable, weak Josephson junction, we can control how strongly photons interact with each other.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1985

Probabilistic Finite Element: Variational Theory

The goal of this research is to provide techniques which are cost-effective and enable the engineer to evaluate the effect of uncertainties in complex finite element models. Embedding the probabilistic aspects in a variational formulation is a natural approach. In addition, a variational approach to probabilistic finite elements enables it to be incorporated within standard finite element methodologies. Therefore, once the procedures are developed, they can easily be adapted to existing general purpose programs. Furthermore, the variational basis for these methods enables them to be adapted to a wide variety of structural elements and to provide a consistent basis for incorporating probabilistic features in many aspects of the structural problem. Tasks concluded include the theoretical development of probabilistic variational equations for structural dynamics, the development of efficient numerical algorithms for probabilistic sensitivity displacement and stress analysis, and integration of methodologies into a pilot computer code.

Belytschko, T.↗
NASA NTRSDate not supplied

Convolution-Based Numerical Solutions of Transient Temperature Fields during Powder Bed Fusion Additive Manufacturing: Theory, Accuracy, and Computational Cost

Powder bed fusion (PBF) additive manufacturing has found numerous applications in the aerospace domain. However, components fabricated via PBF have a complex time-temperature history that significantly impacts subsequent mechanical performance. This study examines convolution-based numerical solutions of transient temperature fields that support simulations involving arbitrary beam shapes and paths during PBF. The convolutional approach is verified through comparisons with analytical solutions of the temperature field. The computational speed and accuracy of the method are assessed through comparisons with other explicit and implicit numerical techniques. In addition, the straightforward translation of the approach from a CPU to a GPU implementation and the resultant performance improvement are presented. The role of the technique in predicting microstructure evolution during PBF (for a greater process-structure-property-performance framework) is also demonstrated. This work supports the development of computational materials methods for understanding and controlling the time-temperature history during PBF.

powder bed fusion↗
NASA NTRS1997

On spurious behavior of CFD simulations

Spurious behavior in underresolved grids and/or semi-implicit temporal discretizations for four computational fluid dynamics (CFD) simulations are studied. The numerical simulations consist of (a) a 1-D chemically relaxed nonequilibrium model, (b) the direct numerical simulation (DNS) of 2-D incompressible flow over a backward facing step, (c) a loosely-coupled approach for a 2-D fluid-structure interaction, and (d) a 3-D compressible unsteady flow simulation of vortex breakdown in delta wings. Using knowledge from dynamical systems theory, various types of spurious behaviors that are numerical artifacts were systematically identified. These studies revealed the various possible dangers of misinterpreting numerical simulation of realistic complex flows that are constrained by the available computing power. In large scale computations underresolved grids, semi-implicit procedures, loosely-coupled implicit procedures, and insufficiently long time integration in DNS are most often unavoidable. Consequently, care must be taken in both computation and in interpretation of the numerical data. The results presented confirm the important role that dynamical systems theory can play in the understanding of the nonlinear behavior of numerical algorithms and in aiding the identification of the sources of numerical uncertainties in CFD.

Numerical Solution↗
DOE OSTI2023

Analyticity of replica correlators and modular ETH

We study the two point correlation function of a local operator on an n -sheeted replica manifold corresponding to the half-space in the vacuum state of a conformal field theory. In analogy with the inverse Laplace transform, we define the Renyi transform of this correlation function, which is a function of one complex variable w, dual to the Renyi parameter n . Inspired by the inversion formula of Caron-Huot, we argue that if the Renyi transform ƒ(w) has bounded behavior at infinity in the complex w plane, the discontinuity of the Renyi transform disc ƒ(w) provides the unique analytic continuation in n of the original replica correlation function. We check our formula by explicitly calculating the Renyi transform of a particular replica correlator in a large N holographic CFT d in dimensions d > 2. We also discover that the discontinuity of the Renyi transform is related to the matrix element of local operators between two distinct eigenstates of the modular Hamiltonian. We calculate the Renyi transform in 2 d conformal field theories, and use it to extract the off-diagonal elements of (modular) ETH. We argue that in 2 d , this is equivalent to the off-diagonal OPE coefficients of a CFT and show that our technique exactly reproduces recent results in the literature.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Microstate geometries from gauged supergravity in three dimensions

The most detailed constructions of microstate geometries, and particularly of superstrata, are done using $\mathcal{N}$ = (1, 0) supergravity coupled to two anti-self-dual tensor multiplets in six dimensions. We show that an important sub-sector of this theory has a consistent truncation to a particular gauged supergravity in three dimensions. Our consistent truncation is closely related to those recently laid out by Samtleben and Sarioglu, which enables us to develop complete uplift formulae from the three-dimensional theory to six dimensions. We also find a new family of multi-mode superstrata, indexed by two arbitrary holomorphic functions of one complex variable, that live within our consistent truncation and use this family to provide extensive tests of our consistent truncation. We discuss some of the future applications of having an intrinsically three-dimensional formulation of a significant class of microstate geometries.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Global properties of nuclei at finite-temperature within the covariant energy density functional theory

In stellar environments nuclei appear at finite temperatures, becoming extremely hot in core-collapse supernovae and neutron-star mergers. However, due to theoretical and computational complexity, most model calculations of nuclear properties are performed at zero temperature, while those existing at finite temperatures are limited only to selected regions of the nuclide chart. In this study we perform the global calculation of nuclear properties for even-even 8 ≤ Z ≤ 104 nuclei at temperatures in range 0 ≤ T ≤ 2 MeV. Calculations are based on the finite-temperature relativistic Hartree-Bogoliubov model supplemented by the Bonche-Levit-Vautherin vapor subtraction procedure. We find that near the neutron-drip line the continuum states have significant contribution already at moderate temperature T ≈ 1 MeV, thus emphasizing the necessity of the vapor subtraction procedure. Results include neutron emission lifetimes, quadrupole deformations, neutron-skin thickness, proton and neutron pairing gaps, entropy and excitation energy. Up to the temperature T ≈ 1 MeV, the nuclear landscape is influenced only moderately by the finite-temperature effects, mainly by reducing the pairing correlations. Here, as the temperature increases further, the effects on nuclear structures become pronounced, reducing both the deformations and the shell effects.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Trace Key Mechanistic Features of the Arsenite Sequestration Reaction with Nanoscale Zerovalent Iron

Nanoscale zerovalent iron (nZVI) is considered as a highly efficient material for sequestrating arsenite, but the origin of its high efficacy as well as the chemical transformations of arsenite during reaction is not well understood. Here, in this study, we report an in situ X-ray absorption spectroscopy (XAS) study to investigate the complex mechanism of nZVI reaction with arsenite under anaerobic conditions at the time scale from seconds to days. The time-resolved XAS analysis revealed a gradual oxidation of As III to As V in the course of minutes to hours in both the solid and liquid phase for the high (above 0.5 g/L) nZVI dose system. When the reaction time increased up to 60 days, As V became the dominant species. The quick-scanning extended X-ray absorption fine structure (QEAXFS) was introduced to discover the transient intermediate at the highly reactive stage, and a small red-shift in As K-edge absorption edge was observed. The QEAXFS combined with density functional theory (DFT) calculation suggested that the red-shift is likely due to the electron donation in a Fe-O-As complex and possible active sites of As sequestrations include Fe(OH) 4 and 4-Fe cluster. This is the first time that the transient reaction intermediate was identified in the As-nZVI sequestration system at the fast-reacting early stage. This study also demonstrated usefulness of in situ monitoring techniques in environmental water research.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗