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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 469 records · Page 26

All sources NASA NTRS DOE OSTI

DOE OSTI2023

Interaction of extended dislocations with nanovoid clusters

Voids of nanoscale dimensions in irradiated metals can act as obstacles to dislocation motion and cause strengthening. In this work, nanovoid strengthening and the influences of void size, void spacing and material properties, such as stacking fault energies, on dislocation bypass mechanisms are investigated using Phase Field Dislocation Dynamics, a three-dimensional mesoscale model that predicts the minimum energy pathway taken by discrete dislocations. A broad range of face centered cubic metals (copper, nickel, silver, rhodium, and platinum) and nanovoid sizes and spacings are treated, altogether spanning void size–to–dislocation stacking fault width ratios from less than unity to ten. Material γ-surfaces, calculated from ab initio methods, are input directly into the formulation. The analysis reveals that the critical bypass stress scales linearly with the linear void fraction, effective isotropic shear modulus, and ratio of the intrinsic to unstable stacking fault energies. With only a few exceptions, the critical stress is controlled by the stress required for the leading partial to impinge the voids (to move within range of the attractive image stress field of the void). When the void diameter is nearly an order of magnitude greater than the stacking fault width, the mechanism determining critical strength shifts to the stress for the dislocation to breakaway after partially cutting the void. Furthermore, this situation corresponds to that treated by line tension models and is realized here for Pt, with a sub-nanometer stacking fault width.

36 MATERIALS SCIENCE↗

NASA NTRS1976

Investigation of lightweight designs and materials for LO2 and LH2 propellant tanks for space vehicles, phase 2 and phase 3

Full size Tug LO2 and LH2 tank configurations were defined, based on selected tank geometries. These configurations were then locally modeled for computer stress analysis. A large subscale test tank, representing the selected Tug LO2 tank, was designed and analyzed. This tank was fabricated using procedures which represented production operations. An evaluation test program was outlined and a test procedure defined. The necessary test hardware was also fabricated.

Source record↗

DOE OSTI2020

2D Retrieval Frameworks for Hot Jupiter Phase Curves

Spectroscopic phase curves provide unique access to the three-dimensional properties of transiting exoplanet atmospheres. However, a modeling framework must be developed to deliver accurate inferences of atmospheric properties for these complex data sets. Here, we develop an approach to retrieve temperature structures and molecular abundances from phase curve spectra at any orbital phase. In the context of a representative hot Jupiter with a large day–night temperature contrast, we examine the biases in typical one-dimensional (1D) retrievals as a function of orbital phase/geometry, compared to two-dimensional (2D) models that appropriately capture the disk-integrated phase geometry. We guide our intuition by applying our new framework on a simulated Hubble Space Telescope (HST)+Spitzer phase curve data set in which the “truth” is known, followed by an application to the spectroscopic phase curve of the canonical hot Jupiter, WASP-43b. We also demonstrate the retrieval framework on simulated James Webb Space Telescope (JWST) phase curve observations. We apply our new geometric framework to a joint fit of all spectroscopic phases, assuming longitudinal molecular abundance homogeneity, resulting in an a factor of 2 improvement in abundances precision when compared to individual phase constraints. With a 1D retrieval model on simulated HST+Spitzer data, we find strongly biased molecular abundances for CH{sub 4} and CO{sub 2} at most orbital phases. With 2D, the day and night profiles retrieved from WASP-43b remain consistent throughout the orbit. JWST retrievals show that a 2D model is strongly favored at all orbital phases. Based on our new 2D retrieval implementation, we provide recommendations on when 1D models are appropriate and when more complex phase geometries involving multiple TP profiles are required to obtain an unbiased view of tidally locked planetary atmospheres.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS2008

Cryogenic Pressure Control Modeling for Ellipsoidal Space Tanks in Reduced Gravity

A computational fluid dynamics (CFD) model is developed to simulate pressure control of an ellipsoidal-shaped liquid hydrogen tank under external heating in low gravity. Pressure control is provided by an axial jet thermodynamic vent system (TVS) centered within the vessel that injects cooler liquid into the tank, mixing the contents and reducing tank pressure. The two-phase cryogenic tank model considers liquid hydrogen in its own vapor with liquid density varying with temperature only and a fully compressible ullage. The axisymmetric model is developed using a custom version of the commercially available FLOW-3D software and simulates low gravity extrapolations of engineering checkout tests performed at Marshall Space Flight Center in 1999 in support of the Solar Thermal Upper Stage Technology Demonstrator (STUSTD) program. Model results illustrate that stable low gravity liquid-gas interfaces are maintained during all phases of the pressure control cycle. Steady and relatively smooth ullage pressurization rates are predicted. This work advances current low gravity CFD modeling capabilities for cryogenic pressure control and aids the development of a low cost CFD-based design process for space hardware.

Hedayat, Ali↗

DOE OSTI2020

Magic-angle semimetals with chiral symmetry

Here, we construct and solve a two-dimensional, chirally symmetric model of Dirac cones subjected to a quasiperiodic modulation. In real space, this is realized with a quasiperiodic hopping term. This hopping model, as we show, at the Dirac node energy has a rich phase diagram with a semimetal-to-metal phase transition at intermediate amplitude of the quasiperiodic modulation, and a transition to a phase with a diverging density of states (DOS) and subdiffusive transport when the quasiperiodic hopping is strongest. We further demonstrate that the semimetal-to-metal phase transition can be characterized by the multifractal structure of eigenstates in momentum space and can be considered as a unique “unfreezing” transition. This unfreezing transition in momentum space generates flat bands with a dramatically renormalized bandwidth in the metallic phase similar to the phenomena of the band structure of twisted bilayer graphene at the magic angle. We characterize the nature of this transition numerically as well as analytically in terms of the formation of a band of topological zero modes. For pure quasiperiodic hopping, we provide strong numerical evidence that the low-energy DOS develops a divergence and the eigenstates exhibit Chalker (quantum-critical) scaling despite the model not being random. At particular commensurate limits the model realizes higher-order topological insulating phases. We discuss how these systems can be realized in experiments on ultracold atoms and metamaterials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2026

Quantum Ising model on (2+1)-dimensional anti–de Sitter space using tensor networks

We study the quantum Ising model on (2+1)-dimensional anti-de Sitter space using matrix product states (MPS) and matrix product operators (MPOs). We explore the bulk phase diagram of the theory on regular tessellations of hyperbolic space with coordination number seven and find disordered and ordered phases separated by a phase transition. We find that the boundary-boundary spin correlation function exhibits power law scaling deep in the disordered phase of the Ising model consistent with holography. At the critical point, we find the boundary entanglement entropy scales logarithmically with subsystem size but away from this, we see a linear scaling. In comparison, the full system exhibits a volume law scaling, which is expected in chaotic and/or highly connected systems. We also measure out of time ordered correlators (OTOCs) to explore the scrambling behavior of the theory.

Quantum spin models↗

NASA NTRS1984

Mathematical synthesization of complex structures

A mathematical synthesization approach for rapidly modeling and analyzing complex structures comprised of hundreds or thousands of repeating individual structural members, interconnecting hardware, and other components was described. The techniques are applicable to any structure with repeating structural members. The capabilities are embodied within the Interactive Design and Evaluation of Advanced Spacecraft (IDEAS) computer-aided design system. IDEAS has a full range of integrated spacecraft modeling, design, analysis, performance, and cost estimating capabilities which include about 40 technical program and executive, data base, and file management systems. With IDEAS, a single user at an interactive terminal can create, design, analyze, and conduct parametric studies of Earth orbiting spacecraft in a timely, cost-efficient manner. The system is particularly useful in the conceptual design phases of advanced space missions when a multiplicity of concepts must be evaluated. The IDEAS interactive finite-element modeling capabilities are discussed. The mathematical synthesization programs were structured not only to provide a detailed finite-element model of the structure but also to automatically perform the many auxiliary computations needed to analyze the spacecraft in its orbital operational environment.

Garrett, L. B.↗

DOE OSTI2022

Improvement of two-phase closure models in CTF using Bayesian inference

Under the Consortium for Advanced Simulation of Light Water Reactors (CASL) program, extensive capabilities have been developed in CTF to analyze light-water reactors (LWRs) for normal operating conditions, departure from nucleate boiling (DNB), and system transients. However, further improvements are required in the modeling and simulation of boiling water reactors (BWRs), which is a focus of the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program. In this work, CTF validation results were used to optimize selected modeling coefficients by calibrating to experimental data using a Bayesian inference approach. Here, calibration studies were conducted to improve (vapor) void fraction prediction without worsening the two-phase pressure drop prediction, as well as to improve the two-phase pressure drop prediction. Calibration was performed for interfacial drag and wall shear models. Surrogates were developed to alleviate the computational expense required for sampling the parameter space using Markov chain Monte Carlo (MCMC). An assessment performed with calibrated models demonstrated an improvement of CTF in its prediction of key parameters such as void fraction and two-phase pressure drop.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS2006

Comparisons of Ground Truth and Remote Spectral Measurements of the FORMOSAT and ANDE Spacecrafts

Determining the material type of objects in space is conducted using laboratory spectral reflectance measurements from common spacecraft materials and comparing the results to remote spectra. This past year, two different ground-truth studies commenced. The first, FORMOSAT III, is a Taiwanese set of six satellites to be launched in March 2006. The second is ANDE (Atmospheric Neutral Density Experiment), a Naval Research Laboratory set of two satellites set to launch from the Space Shuttle in November 2006. Laboratory spectra were obtained of the spacecraft and a model of the anticipated spectra response was created for each set of satellites. The model takes into account phase angle and orientation of the spacecraft relative to the observer. Once launched, the spacecraft are observed once a month to determine the space aging effects of materials as deduced from the remote spectra. Preliminary results will be shown of the FORMOSAT III comparison with laboratory data and remote data while results from only the laboratory data will be shown for the ANDE spacecraft.

JorgensenAbercromby, Kira↗

NASA NTRS2004

A space radiation shielding model of the Martian radiation environment experiment (MARIE)

The 2001 Mars Odyssey spacecraft was launched towards Mars on April 7, 2001. Onboard the spacecraft is the Martian radiation environment experiment (MARIE), which is designed to measure the background radiation environment due to galactic cosmic rays (GCR) and solar protons in the 20-500 MeV/n energy range. We present an approach for developing a space radiation-shielding model of the spacecraft that includes the MARIE instrument in the current mapping phase orientation. A discussion is presented describing the development and methodology used to construct the shielding model. For a given GCR model environment, using the current MARIE shielding model and the high-energy particle transport codes, dose rate values are compared with MARIE measurements during the early mapping phase in Mars orbit. The results show good agreement between the model calculations and the MARIE measurements as presented for the March 2002 dataset. c2003 COSPAR. Published by Elsevier Ltd. All rights reserved.

NASA Center JSC↗

DOE OSTI2024

Classical analog of quantum models in synthetic dimensions

We introduce a classical analog of quantum matter in ultracold molecule-synthetic or Rydberg atom-synthetic dimensions, by extending the Potts model to include interactions J 1 between atoms adjacent in both real and synthetic space and studying its finite-temperature properties. For intermediate values of J 1 , the resulting phases and phase diagrams are similar to those of the clock and Villain models, in which three phases emerge. There exists a sheet phase analogous to that found in quantum synthetic dimension models between the high-temperature disordered phase and the low-temperature ferromagnetic phase. Furthermore, we also employ machine learning to uncover nontrivial features of the phase diagram using the learning by confusion approach, which is able to discern several successive phase transitions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2022

Improving the Accuracy of Atomistic Simulations of the Electrochemical Interface

Atomistic simulation of the electrochemical double layer is an ambitious undertaking, requiring quantum mechanical description of electrons, phase space sampling of liquid electrolytes, and equilibration of electrolytes over nanosecond time scales. All models of electrochemistry make different trade-offs in the approximation of electrons and atomic configurations, from the extremes of classical molecular dynamics of a complete interface with point-charge atoms to correlated electronic structure methods of a single electrode configuration with no dynamics or electrolyte. Here, we review the spectrum of simulation techniques suitable for electrochemistry, focusing on the key approximations and accuracy considerations for each technique. Additionally, we discuss promising approaches, such as enhanced sampling techniques for atomic configurations and computationally efficient beyond density functional theory (DFT) electronic methods, that will push electrochemical simulations beyond the present frontier.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Experimental and theoretical examination of shock-compressed copper through the fcc to bcc to melt phase transitions

Recent studies show a face-centered cubic (fcc) to body-centered cubic (bcc) transformation along the shock Hugoniot for several metals (i.e., Cu, Au, and Ag). Here, we combine laser-shock compression of Cu foils on nanosecond timescales with in situ x-ray diffraction (XRD) to examine the microstructural changes with stress. We study the fcc phase and the phase transition from fcc to bcc (pressures greater than 180 GPa). Textural analysis of the azimuthal intensities from the XRD images is consistent with transformation into the bcc phase through the Pitsch-distortion mechanism. We use embedded atom model molecular dynamics simulations to determine the stability of the bcc phase in pressure–temperature space. Finally, our results indicate that the bcc phase is stabilized only at high temperatures and remains stable at pressures greater than 500 GPa.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Efficient many-jet event generation with flow matching

We apply for the first time, to the best of our knowledge, the flow matching method to the problem of phase-space sampling for event generation in high-energy collider physics. By training the model to remap the random numbers used to generate the momenta and helicities of the scattering matrix elements as implemented in the portable partonic event generator pepper, we find substantial efficiency improvements in the studied processes. We focus our study on the highest final-state multiplicities in Drell-Yan and top-antitop pair production used in simulated samples for the Large Hadron Collider, which computationally are the most relevant ones. We find that the unweighting efficiencies improve by factors of 184 and 25, respectively, when compared to the standard approach of using a vegas-based optimization. We also compare continuous normalizing flows trained with flow matching against the previously studied normalizing flows based on coupling layers and find that the former leads to better results, faster training and a better scaling behavior across the studied multiplicity range, while the latter evaluate faster. When combining the advantages of both methods using the regflow approach, we find parton-level unweighted event generation walltime gains of about a factor of 10 at the highest final-state multiplicities.

Bothmann, E. [CERN; Gottingen U.] (ORCID:000000016↗

DOE OSTI2023

DarkNESS Project Testing

This internship involved the design and assembly of a mechanical system for testing skipper-Charge Couple Devices (CCDs) for the DarkNESS project. Skipper-CCDs are highly-sensitive sensors with ultra-low readout noise that are deployed for direct detection of dark matter. DarkNESS is a CubeSat that aims to use skipper CCDs to search for dark matter decaying into X-rays. Currently, in the testing phase, the design process involved creating 3D models of mechanical adapters to operate a prototype space Multi Chip Module (sMCM) package in existing testing chambers in the CCD lab at Fermilab's IERC. The drawings were sent out to be machined, and while waiting to receive the finished adapters, we assembled a vacuum chamber for skipper-CCD testing and performed initial testing of a single CCD controlled by the space Low Threshold Acquisition (sLTA) board that will be employed on the CubeSat. The results showed that the testing conditions are optimal for data to start being taken and analyzed.

Akouedjinoude, Kodjo↗

DOE OSTI2023

Simulation of Proton Beams in the AGS Booster with Space Charge

As higher intensity accelerators are designed, built and operated, the resonances and instabilities caused by space charge can become dominant effects in limiting the intensity of the beam that can be delivered. Particle loss has many causes but space charge can be a major factor in reducing beam intensity and generating emittance growth, particularly at low energies and in the lower energy stages of accelerators such as the AGS Booster. Successful operation relies on a good understanding of basic particle dynamics and it becomes an important challenge to ascertain how the beam evolves when charged particles experience both external forces through the fields of the magnets combined with internal forces through Coulomb interactions. A possible approach to such a study is to include calculations of space charge in computer simulation codes that track the motions of charged particles in 6D phase space. Unfortunately, repeated space charge calculations in 6D phase space are computationally intensive even with the most modern computing facilities. Study with traditional models of space charge is then either limited to a short real-time scale, or sacrifices accuracy and often omits some of the physics. The study described in this report attempts to explore all aspects of the Booster from injection, through RF capture and acceleration to the extraction energy. The simulations are allied to real machine settings. They do not attempt to model effects that are well known and for which accurate experimental data are available, but they try in many cases to extend beyond the normal Booster parameter range so as to understand the limitations on operations and suggest areas for improvement.

43 PARTICLE ACCELERATORS↗

NASA NTRS1990

Small error dynamics and the predictability of atmospheric flows

In this paper, linear small-error theory is applied to the study of weather predictability. A simple baroclinic shear model and a barotropic channel model with a localized jet are used as examples. It is shown that increase in error on synoptic forecast time scales is controlled by rapidly growing perturbations that are not of normal mode form. Unpredictable regimes are not necessarily associated with larger exponential growth rates than are relatively more predictable regimes. Model problems illustrating baroclinic and barotropic dynamics suggest that asymptotic measures of divergence in phase space, while applicable in the limit of infinite time, may not be appropriate over time intervals addressed by present synoptic forecast.

Farrell, Brian F.↗

NASA NTRS1991

Convection of ion cyclotron waves to ion-heating regions

Results are presented on calculations of the convection, to lower altitudes, of low-frequency ion cyclotron waves generated in the central plasma sheet. In the calculations, ion cyclotron waves generated in the equatorial plane by a proton temperature anisotropy are considered, and the computed growth rates are used to create a model wave distribution. Spectral densities are then mapped along the magnetic field lines, using phase space methods of Ronnmark and Larsson (1988). It was found that, even in the absence of growth associated with a plasma instability, the electric fields of ion cyclotron emissions from the equatorial region will increase substantially as the waves propagate to higher latitudes. It is shown that ion cyclotron waves propagating down the field lines may contribute to the waves observed together with ion conics.

Ronnmark, Kjell↗