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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Ion drift meter research

The final activity period for the DE project has been particularly productive. This period has seen the final delivery of geophysical data sets to the National Space Science Data Center, the granting of three Ph.D. degrees from cumulative work on the project, the operation of automatic data access and display routines for the data, and an increased effort in research and publication of the data. As before the research activities, largely devoted to studies involving the dynamics of the ionosphere, utilize data from the IDM and the RPA and thus the work is not easily attributable to one or the other of these separately funded efforts. In this final report we provide brief descriptions of the work accomplished in the final phase of the program. The Dynamics Explorer program has provided a significant opportunity for much of the community to participate in the data analysis and interpretation. The data, now residing in the national space science data center, are a great legacy that should continue to yield important results for many years.

Heelis, Roderick A.↗
DOE OSTI2021

Radiative classical gravitational observables at $ \mathcal{O} $(G 3 ) from scattering amplitudes

We compute classical gravitational observables for the scattering of two spinless black holes in general relativity and N =8 supergravity in the formalism of Kosower, Maybee, and O’Connell (KMOC). We focus on the gravitational impulse with radiation reaction and the radiated momentum in black hole scattering at $ \mathcal{O} $(G 3 ) to all orders in the velocity. These classical observables require the construction and evaluation of certain loop-level quantities which are greatly simplified by harnessing recent advances from scattering amplitudes and collider physics. In particular, we make use of generalized unitarity to construct the relevant loop integrands, employ reverse unitarity, the method of regions, integration-by-parts (IBP), and (canonical) differential equations to simplify and evaluate all loop and phase-space integrals to obtain the classical gravitational observables of interest to two-loop order. The KMOC formalism naturally incorporates radiation effects which enables us to explore these classical quantities beyond the conservative two-body dynamics. From the impulse and the radiated momentum, we extract the scattering angle and the radiated energy. Finally, we discuss universality of the impulse in the high-energy limit and the relation to the eikonal phase.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Magnetic charge propagation upon a 3D artificial spin-ice

Magnetic charge propagation in spin-ice materials has yielded a paradigm-shift in science, allowing the symmetry between electricity and magnetism to be studied. Recent work is now suggesting the spin-ice surface may be important in mediating the ordering and associated phase space in such materials. Here, we detail a 3D artificial spin-ice, which captures the exact geometry of bulk systems, allowing magnetic charge dynamics to be directly visualized upon the surface. Using magnetic force microscopy, we observe vastly different magnetic charge dynamics along two principal directions. For a field applied along the surface termination, local energetics force magnetic charges to nucleate over a larger characteristic distance, reducing their magnetic Coulomb interaction and producing uncorrelated monopoles. In contrast, applying a field transverse to the surface termination yields highly correlated monopole-antimonopole pairs. Detailed simulations suggest it is the difference in effective chemical potential as well as the energy landscape experienced during dynamics that yields the striking differences in monopole transport.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Computational Exploration of High Entropy Alloys as Promising Materials for Future Beam Windows

With the ever-increasing demand for high beam power, the currently used beam-intercepting devices (BIDs) such as targets, and beam windows may not be able to handle the high power required for future accelerator complexes or the lifetime may be reduced drastically. As beam power increases, the damage incurred by BIDs, including thermal shock, fatigue, and irradiation damage, also rises. Therefore, it is imperative to design materials that can withstand high beam power for longer lifetimes. High entropy alloys (HEAs) have emerged as potential alternative materials for designing next-generation BIDs. In this study, we primarily focus on materials for developing beam windows for next-generation accelerator complexes. We propose an integrated approach that combines various computational techniques to study and design new materials. Specifically, we use CALPHAD, density functional theory (DFT), and molecular dynamics (MD) to comprehensively investigate the defect properties of suitable HEAs, offering potential alternatives for future beam windows. We begin by scanning the extensive phase space provided by Cr-Mn-V-Ti-Al-Co HEAs, selecting 8 compositions after evaluating approximately 120,000 unique compositions using CALPHAD. We, then employ DFT-informed machine learning techniques to develop force-field parameters. Finally, MD simulations using these developed force-field parameters will be used to study the effects of radiation damage on the defect and mechanical properties of the selected alloys. This research explains the use of the CALPHAD approach and shows how critical modeling (DFT and MD) is in developing novel material such as HEAs. It also highlights the promising role of machine learning in this field. The results from this study will greatly improve the novel materials development to be used in next-generation accelerator components, leading to higher beam power and longer operational times of BIDs.

43 PARTICLE ACCELERATORS↗
NASA NTRS1987

Cluster analysis of multiple planetary flow regimes

A modified cluster analysis method was developed to identify spatial patterns of planetary flow regimes, and to study transitions between them. This method was applied first to a simple deterministic model and second to Northern Hemisphere (NH) 500 mb data. The dynamical model is governed by the fully-nonlinear, equivalent-barotropic vorticity equation on the sphere. Clusters of point in the model's phase space are associated with either a few persistent or with many transient events. Two stationary clusters have patterns similar to unstable stationary model solutions, zonal, or blocked. Transient clusters of wave trains serve as way stations between the stationary ones. For the NH data, cluster analysis was performed in the subspace of the first seven empirical orthogonal functions (EOFs). Stationary clusters are found in the low-frequency band of more than 10 days, and transient clusters in the bandpass frequency window between 2.5 and 6 days. In the low-frequency band three pairs of clusters determine, respectively, EOFs 1, 2, and 3. They exhibit well-known regional features, such as blocking, the Pacific/North American (PNA) pattern and wave trains. Both model and low-pass data show strong bimodality. Clusters in the bandpass window show wave-train patterns in the two jet exit regions. They are related, as in the model, to transitions between stationary clusters.

Mo, Kingtse↗
NASA NTRS1989

Classical trajectory studies of gas phase reaction dynamics and kinetics using ab initio potential energy surfaces

Strategies for constructing global potential energy surfaces from a limited number of accurate ab initio electronic energy calculations are discussed. Generally, these data are concentrated in small regions of configuration space (e.g., in the vicinity of saddle points and energy minima) and difficulties arise in generating a potential function that is globally well-behaved. Efficient computer codes for carrying out classical trajectory calculations on vector and parallel processors are also described. Illustrations are given from recent work on the following chemical systems: Ca + HF yields CaF + H, H + H + H2 yields H2 + H2, N + O2 yields NO + O and O + N2 yields NO + N. The dynamics and kinetics of metathesis, dissociation, recombination, energy transfer and complex formation processes will be discussed.

Jaffe, Richard L.↗
NASA NTRS1991

System monitoring and diagnosis with qualitative models

A substantial foundation of tools for model-based reasoning with incomplete knowledge was developed: QSIM (a qualitative simulation program) and its extensions for qualitative simulation; Q2, Q3 and their successors for quantitative reasoning on a qualitative framework; and the CC (component-connection) and QPC (Qualitative Process Theory) model compilers for building QSIM QDE (qualitative differential equation) models starting from different ontological assumptions. Other model-compilers for QDE's, e.g., using bond graphs or compartmental models, have been developed elsewhere. These model-building tools will support automatic construction of qualitative models from physical specifications, and further research into selection of appropriate modeling viewpoints. For monitoring and diagnosis, plausible hypotheses are unified against observations to strengthen or refute the predicted behaviors. In MIMIC (Model Integration via Mesh Interpolation Coefficients), multiple hypothesized models of the system are tracked in parallel in order to reduce the 'missing model' problem. Each model begins as a qualitative model, and is unified with a priori quantitative knowledge and with the stream of incoming observational data. When the model/data unification yields a contradiction, the model is refuted. When there is no contradiction, the predictions of the model are progressively strengthened, for use in procedure planning and differential diagnosis. Only under a qualitative level of description can a finite set of models guarantee the complete coverage necessary for this performance. The results of this research are presented in several publications. Abstracts of these published papers are presented along with abtracts of papers representing work that was synergistic with the NASA grant but funded otherwise. These 28 papers include but are not limited to: 'Combined qualitative and numerical simulation with Q3'; 'Comparative analysis and qualitative integral representations'; 'Model-based monitoring of dynamic systems'; 'Numerical behavior envelopes for qualitative models'; 'Higher-order derivative constraints in qualitative simulation'; and 'Non-intersection of trajectories in qualitative phase space: a global constraint for qualitative simulation.'

Kuipers, Benjamin↗
NASA NTRS1994

Stochastic solution to quantum dynamics

The quantum Liouville equation in the Wigner representation is solved numerically by using Monte Carlo methods. For incremental time steps, the propagation is implemented as a classical evolution in phase space modified by a quantum correction. The correction, which is a momentum jump function, is simulated in the quasi-classical approximation via a stochastic process. The technique, which is developed and validated in two- and three- dimensional momentum space, extends an earlier one-dimensional work. Also, by developing a new algorithm, the application to bound state motion in an anharmonic quartic potential shows better agreement with exact solutions in two-dimensional phase space.

John, Sarah↗
NASA NTRS1995

Geostationary Operational Environmental Satellite (GOES)-8 mission flight experience

The Geostationary Operational Environmental Satellite (GOES)-8 spacecraft was launched on April 13, 1994, at 06:04:02 coordinated universal time (UTC), with separation from the Atlas-Centaur launch vehicle occurring at 06:33:05 UTC. The launch was followed by a series of complex, intense operations to maneuver the spacecraft into its geosynchronous mission orbit. The Flight Dynamics Facility (FDF) of the Goddard Space Flight Center (GSFC) Flight Dynamics Division (FDD) was responsible for GOES-8 attitude, orbit maneuver, orbit determination, and station acquisition support during the ascent phase. This paper summarizes the efforts of the FDF support teams and highlights some of the unique challenges the launch team faced during critical GOES-8 mission support. FDF operations experience discussed includes: (1) The abort of apogee maneuver firing-1 (AMF-1), cancellation of AMF-3, and the subsequent replans of the maneuver profile; (2) The unexpectedly large temperature dependence of the digital integrating rate assembly (DIRA) and its effect on GOES-8 attitude targeting in support of perigee raising maneuvers; (3) The significant effect of attitude control thrusting on GOES-8 orbit determination solutions; (4) Adjustment of the trim tab to minimize torque due to solar radiation pressure; and (5) Postlaunch analysis performed to estimate the GOES-8 separation attitude. The paper also discusses some key FDF GOES-8 lessons learned to be considered for the GOES-J launch which is currently scheduled for May 19, 1995.

Noonan, C. H.↗
NASA NTRS1994

Topological analysis of chaotic orbits: Revisiting Hyperion

There is emerging interest in the possibility of chaotic evolution in astrophysical systems. To mention just one example, recent well-sampled ground-based observations of the Saturian satellite Hyperion strongly suggest that it is exhibiting chaotic behavior. We present a general technique, the method of close returns, for the analysis of data from astronomical objects believed to be exhibiting chaotic motion. The method is based on the extraction of pieces of the evolution that exhibit nearly periodic behavior-episodes during which the object stays near in phase space to some unstable periodic orbit. Such orbits generally act as skeletal features, tracing the topological organization of the manifold on which the chaotic dynamics takes place. This method does not require data sets as lengthy as other nonlinear analysis techniques do and is therefore well suited to many astronomical observing programs. Well sampled data covering between twenty and forty characteristic periods of the system have been found to be sufficient for the application of this technique. Additional strengths of this method are its robustness in the presence of noise and the ability for a user to clearly distinguish between periodic, random, and chaotic behavior by inspection of the resulting two-dimensional image. As an example of its power, we analyze close returns in a numerically generated data set, based on a model for Hyperion extensively studied in the literature, corresponding to nightly observations of the satellite. We show that with a small data set, embedded unstable periodic orbits can be extracted and that these orbits can be responsible for nearly periodic behavior lasting a substantial fraction of the observing run.

Boyd, Patricia T.↗
NASA NTRS1999

Chemical Vapor Deposition at High Pressure in a Microgravity Environment

In this paper we present an evaluation of critical requirements of organometallic chemical vapor deposition (OMCVD) at elevated pressure for a channel flow reactor in a microgravity environment. The objective of using high pressure is to maintain single-phase surface composition for materials that have high thermal decomposition pressure at their optimum growth temperature. Access to microgravity is needed to maintain conditions of laminar flow, which is essential for process analysis. Based on ground based observations we present an optimized reactor design for OMCVD at high pressure and reduced gravity. Also, we discuss non-intrusive real-time optical monitoring of flow dynamics coupled to homogeneous gas phase reactions, transport and surface processes. While suborbital flights may suffice for studies of initial stages of heteroepitaxy experiments in space are essential for a complete evaluation of steady-state growth.

McCall, Sonya↗
NASA NTRS2002

The Long-term Light Curves of X-ray Binaries Contain Simultaneous Periodic and Random Components

LMC X-3 and Cyg X-2 show large amplitude X-ray fluctuations that have been attributed to a warped accretion disk. Cyg X-3 displays high amplitude, apparently non-periodic oscillations. We reanalyze these systems using RXTE ASM data and time-frequency decomposition techniques. We find that the long-term variations in Cyg X-2 can be completely characterized by excursions whose durations are integer multiples of the orbital period, including one essentially identical to the reported "period" of 78 days. Cyg X-3 can be characterized in terms of integer multiples of a 71-day fundamental period unrelated to the 4.8 day orbital period, but suggestively close to the approximately equal to greater than 60 day reported precession period of the relativistic jet inferred from recent radio observations. The long-term excursions of LMC X-3 are related to each other by rational fractions, suggesting the characteristic time scale is 10.594 days, shorter than any observed excursion to date. We explore the phase space evolution of the light curves using a natural embedding and find that all three systems possess two rotation centers that organize the phase space trajectories, one of low luminosity and the other of high luminosity. The implications of this repeatable behavior on generic models of accretion disk dynamics and mass transfer variability are explored.

White, Nicholas E.↗
DOE OSTI2020

Dual-Purpose Canister Filling Demonstration Project Progress Report

This report discusses the initial progress made at the Oak Ridge National Laboratory to support direct disposal of dual-purpose canisters (DPCs) using filler materials to demonstrate that the probability of criticality in DPCs during disposal to be below the probability for inclusion in a repository performance assessment. In the initial phase of a multi-phase effort that will result in a full-scale demonstration, a computational fluid dynamics (CFD) model was developed to gauge the filling process and to uncover any unforeseen issues. The initial filling simulations of the lower region (mouse holes) of a prototypic DPC show successful removal of the inner space voids and smooth, even progression of the liquid level. In the initial phase, flow through a pipe that is similar to the drain pipe in a DPC will be investigated separately to gain valuable insight of flow regime inside a pipe. The initial experimental setups for validating the computational filling model have been designed, and the various assembly parts are being procured. The experience gained from the initial experiments will be applied to the next steps toward a full-scale demonstration and to the validation of multiphysics filling simulation models.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1993

Proper-time relativistic dynamics

Proper-time relativistic single-particle classical Hamiltonian mechanics is formulated using a transformation from observer time to system proper time which is a canonical contact transformation on extended phase space. It is shown that interaction induces a change in the symmetry structure of the system which can be analyzed in terms of a Lie-isotopic deformation of the algebra of observables.

Gill, Tepper L.↗
DOE OSTI2022

Mean string field theory: Landau-Ginzburg theory for 1-form symmetries

By analogy with the Landau-Ginzburg theory of ordinary zero-form symmetries, we introduce and develop a Landau-Ginzburg theory of one-form global symmetries, which we call mean string field theory. The basic dynamical variable is a string field – defined on the space of closed loops – that can be used to describe the creation, annihilation, and condensation of effective strings. Like its zero-form cousin, the mean string field theory provides a useful picture of the phase diagram of broken and unbroken phases. We provide a transparent derivation of the area law for charged line operators in the unbroken phase and describe the dynamics of gapless Goldstone modes in the broken phase. The framework also provides a theory of topological defects of the broken phase and a description of the phase transition that should be valid above an upper critical dimension, which we discuss. We also discuss general consequences of emergent one-form symmetries at zero and finite temperature.

Iqbal, Nabil↗
DOE OSTI2022

The Dynamics of Ions on Phased Radio-frequency Carpets in High Pressure Gases and Application for Barium Tagging in Xenon Gas Time Projection Chambers

Radio-frequency (RF) carpets with ultra-fine pitches are examined for ion transport in gases at atmospheric pressures and above. We develop new analytic and computational methods for modeling RF ion transport at densities where dynamics are strongly influenced by buffer gas collisions. An analytic description of levitating and sweeping forces from phased arrays is obtained, then thermodynamic and kinetic principles are used to calculate ion loss rates in the presence of collisions. This methodology is validated against detailed microscopic SIMION simulations. We then explore a parameter space of special interest for neutrinoless double beta decay experiments: transport of barium ions in xenon at pressures from 1 to 10 bar. Our computations account for molecular ion formation and pressure dependent mobility as well as finite temperature effects. We discuss the challenges associated with achieving suitable operating conditions, which lie beyond the capabilities of existing devices, using presently available or near-future manufacturing techniques.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Boundary of the Distribution of Solar Wind Proton Beta versus Temperature Anisotropy

Abstract The frequency distribution of solar wind protons, measured in the vicinity of Earth’s orbit, is customarily plotted in ( β ∥ , T ⊥ / T ∥ ) phase space. Here, T ⊥ / T ∥ is the ratio of perpendicular and parallel temperatures, and β ∥ = 8 π nT ∥ / B 2 is the ratio of parallel thermal energy to background magnetic field energy, the so-called “parallel beta,” with ⊥ and ∥ denoting directions with respect to the ambient magnetic field. Such a frequency distribution, plotted as a two-dimensional histogram, forms a peculiar rhombic shape defined with an outer boundary in the said phase space. Past studies reveal that the threshold conditions for temperature anisotropy–driven plasma instability partially account for the boundary on the high- β ∥ side. The low- β ∥ side remains largely unexplained despite some efforts. Work by Vafin et al. recently showed that certain contours of collisional relaxation frequency, ν pp , when parameterized by T ⊥ / T ∥ and β ∥ , could match the overall shape of the left-hand boundary, thus suggesting that the collisional relaxation process might be closely related to the formation of the left-hand boundary. The present paper extends the analysis by Vafin et al. and carries out the dynamical computation of the collisional relaxation process for an ensemble of initial proton states with varying degrees of anisotropic temperatures. The final states of the relaxed protons are shown to closely match the observed boundary to the left of the ( β ∥ , T ⊥ / T ∥ ) phase space. When coupled with a similar set of calculations for the ensemble in the collective instability regime, it is found that the combined collisional/collective effects provide the baseline explanation for the observation.

Astronomy & Astrophysics↗
DOE OSTI2023

Data-driven prediction of α IIb β 3 integrin activation paths using manifold learning and deep generative modeling

The integrin heterodimer is a transmembrane protein critical for driving cellular process and is a therapeutic target in the treatment of multiple diseases linked to its malfunction. Activation of integrin involves conformational transitions between bent and extended states. Some of the conformations that are intermediate between bent and extended states of the heterodimer have been experimentally characterized, but the full activation pathways remain unresolved both experimentally due to their transient nature and computationally due to the challenges in simulating rare barrier crossing events in these large molecular systems. An understanding of the activation pathways can provide new fundamental understanding of the biophysical processes associated with the dynamic interconversions between bent and extended states and unveil new putative therapeutic targets. In this work, we apply nonlinear manifold learning to coarse-grained molecular dynamics simulations of bent, extended, and two intermediate states of αI I b β3 integrin to learn a low-dimensional embedding of the configurational phase space. We then train deep generative models to learn an inverse mapping between the low-dimensional embedding and high-dimensional molecular space and use these models to interpolate the molecular configurations constituting the activation pathways between the experimentally characterized states. Furthermore, this work furnishes plausible predictions of integrin activation pathways and reports a generic and transferable multi-scale technique to predict transition pathways for biomolecular systems.

97 MATHEMATICS AND COMPUTING↗