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DOE OSTI2021

PHOENIX Electrostatic Design

PHOENIX (Portable, High-efficiency, Optimal ENergy Imaging X-rays) is a quasi-DC, electrostatic, vacuum-diode designed as a portable x-ray source with national defense and commercial applications. The patent-pending PHOENIX concept combines a megavoltage, Cockroft-Walton voltage multiplier with a Van de-Graaff electrostatic charge-storage dome to create a vacuum-diode suitable for x-ray production. Naturally this structure must minimize internal electric fields to reduce electrical breakdown while simultaneously reducing size and weight to enhance portability. In this paper we describe the optimization process and model results obtained using the COMSOL multi-physics code. We describe three models: a prototype model built to demonstrate the PHOENIX concept as part of Laboratory Directed Research and Development (LDRD) Mission Foundation Research (MFR) Phase-I , a “back-of-the-envelope” design used as a starting point for further COMSOL optimization, and finally, the optimized geometry implemented in the MFR Phase-II. In all cases compromises resulting from cost, schedule, and manufacturing constraints were taken into account as the design progressed.

42 ENGINEERING↗

NASA NTRS1976

Time-dependent radio fine structure of the quasar 3C 345

Results are reported for VLBI observations of 3C 345 at a wavelength of 3.8 cm with left circular polarization. Sixteen sets of correlated flux densities and three sets of closure phases were obtained from observations made over a three-year period with six independent interferometers formed from up to four antennas. The mathematical models employed to represent the radio brightness distribution of the source are described, and the data are analyzed on the basis of a two-component model. The results show that the compact source in 3C 345 consists of two components whose separation increased by about 0.3 milliarcsec over the observational period, that the smaller and weaker component is to the east and south of the larger and stronger one, and that the apparent expansion velocity would be about 2.5c for a redshift of 0.6, a Hubble constant of 60 km/sec per Mpc, and a deceleration parameter of unity. It is concluded that these findings are difficult to reconcile with the 'Christmas tree' model for the apparent change of separation with time over any given series of observations.

Wittels, J. J.↗

NASA NTRS1986

Aerothermal modeling program, phase 2

The main objective of the NASA sponsored Aerothermal Modeling Program, Phase 2--Element A, is to develop an improved numerical scheme for predicting combustor flow fields. This effort consists of the following three technical tasks. Task 1 involves the selection and evaluation of various candidate numerical techniques. Task 2 involves an in-depth evaluation of the selected numerical schemes. Task 3 involves the convection-diffusion scheme and the direct solver that will be incorporated in the NASA 3-D elliptic code (COM3S).

Karki, K. C.↗

NASA NTRS1991

A feedback control for the advanced launch system

A robust feedback algorithm is presented for a near-minimum-fuel ascent of a two-stage launch vehicle operating in the equatorial plane. The development of the algorithm is based on the ideas of neighboring optimal control and can be derived into three phases. In phase 1, the formalism of optimal control is employed to calculate fuel-optimal ascent trajectories for a simple point-mass model. In phase 2, these trajectories are used to numerically calculate gain functions of time for the control(s), the total flight time, and possibly, for other variables of interest. In phase 3, these gains are used to determine feedback expressions for the controls associated with a more realistic model of a launch vehicle. With the Advanced Launch System in mind, all calculations are performed on a two-stage vehicle with fixed thrust history, but this restriction is by no means important for the approach taken. Performance and robustness of the algorithm is found to be excellent.

Seywald, Hans↗

NASA NTRS1993

Three dimensional modeling of cirrus during the 1991 FIRE IFO 2: Detailed process study

A three-dimensional model of cirrus cloud formation and evolution, including microphysical, dynamical, and radiative processes, was used to simulate cirrus observed in the FIRE Phase 2 Cirrus field program (13 Nov. - 7 Dec. 1991). Sulfate aerosols, solution drops, ice crystals, and water vapor are all treated as interactive elements in the model. Ice crystal size distributions are fully resolved based on calculations of homogeneous freezing of solution drops, growth by water vapor deposition, evaporation, aggregation, and vertical transport. Visible and infrared radiative fluxes, and radiative heating rates are calculated using the two-stream algorithm described by Toon et al. Wind velocities, diffusion coefficients, and temperatures were taken from the MAPS analyses and the MM4 mesoscale model simulations. Within the model, moisture is transported and converted to liquid or vapor by the microphysical processes. The simulated cloud bulk and microphysical properties are shown in detail for the Nov. 26 and Dec. 5 case studies. Comparisons with lidar, radar, and in situ data are used to determine how well the simulations reproduced the observed cirrus. The roles played by various processes in the model are described in detail. The potential modes of nucleation are evaluated, and the importance of small-scale variations in temperature and humidity are discussed. The importance of competing ice crystal growth mechanisms (water vapor deposition and aggregation) are evaluated based on model simulations. Finally, the importance of ice crystal shape for crystal growth and vertical transport of ice are discussed.

Jensen, Eric J.↗

NASA NTRS1999

Flame Spread Across Liquids: Experimental Results

The goal of our research on flame spread across a pool of liquid fuel is the quantitative identification of the mechanisms that control the rate and nature of flame spread when the initial temperature of the liquid pool is below the fuel's flash point temperature. Besides numerous experiments in drop towers and 1 g laboratories, we have flown five microgravity (mu-g) experiments on sounding rockets. As described in earlier papers, the first three flights examined the effect of forced opposed airflow over a 2.5 cm deep x 2 cm wide x 30 cm long pool of 1-butanol in mu-g. It was found that the flame spread is much slower and steadier than in 1 g where flame spread has a pulsating character. It was speculated that the flame spread in mu-g resembled the character of pseudo-uniform spread in 1 g; Ito et al later confirmed this conclusively in 1 g experiments. Much of the mu-g flame is also farther from the surface, dimmer, and with less soot, when compared to the 1 g flame. Three-dimensional liquid-phase flow patterns that control the liquid preheating were discovered in both 1 g and mu-g. Our numerical model, restricted to two dimensions, had predicted faster, pulsating flame spread in mu-g for opposed airflow. In examining the differences in the dimensionality of the model and experiment, it was noted that the experiment allowed gas expansion in the lateral direction (across the width of the pool), for which the model could not account. Such lateral expansion could reduce the expansion in the forward and upward directions. Because only these latter directions could be modeled, it was decided to artificially reduce the gas thermal expansion in the predictions. When this was done, satisfactory agreement could be obtained between the predicted and observed spread rates and the steadiness of the spread in microgravity. In 1 g, however, the predicted flame spread character also changed to pseudo-uniform, which disagreed with our 1 g experiments where the spread is pulsating. It was then speculated that gas-phase buoyant flow might oppose the lateral gas expansion, so that the 1 g experiments retained their pulsating flame spread character. If this speculation was valid, a difference in lateral gas expansion should be observable when comparing 1 g and mu-g experiments. Specifically, it was anticipated that greater flow divergence caused by lateral expansion would be measured in mu-g in the absence of a buoyant flow directed towards the flame.

Ross, H. D.↗

NASA NTRS2003

Investigation of the Flow Physics Driving Stall-Side Flutter in Advanced Forward Swept Fan Designs

Flutter-free operation of advanced transonic fan designs continues to be a challenging task for the designers of aircraft engines. In order to meet the demands of increased performance and lighter weight, these modern fan designs usually feature low-aspect ratio shroudless rotor blade designs that make the task of achieving adequate flutter margin even more challenging for the aeroelastician. This is especially true for advanced forward swept designs that encompass an entirely new design space compared to previous experience. Fortunately, advances in unsteady computational fluid dynamic (CFD) techniques over the past decade now provide an analysis capability that can be used to quantitatively assess the aeroelastic characteristics of these next generation fans during the design cycle. For aeroelastic applications, Mississippi State University and NASA Glenn Research Center have developed the CFD code TURBO-AE. This code is a time-accurate three-dimensional Euler/Navier-Stokes unsteady flow solver developed for axial-flow turbomachinery that can model multiple blade rows undergoing harmonic oscillations with arbitrary interblade phase angles, i.e., nodal diameter patterns. Details of the code can be found in Chen et al. (1993, 1994), Bakhle et al. (1997, 1998), and Srivastava et al. (1999). To assess aeroelastic stability, the work-per-cycle from TURBO-AE is converted to the critical damping ratio since this value is more physically meaningful, with both the unsteady normal pressure and viscous shear forces included in the work-per-cycle calculation. If the total damping (aerodynamic plus mechanical) is negative, then the blade is unstable since it extracts energy from the flow field over the vibration cycle. TURBO-AE is an integral part of an aeroelastic design system being developed at Honeywell Engines, Systems & Services for flutter and forced response predictions, with test cases from development rig and engine tests being used to validate its predictive capability. A recent experimental program (Sanders et al., 2002) was aimed at providing the necessary unsteady aerodynamic and vibratory response data needed to validate TURBO-AE for fan flutter predictions. A comparison of numerical TURBO-AE simulations with the benchmark flutter data is given in Sanders et al. (2003), with the data used to guide the validation of the code and define best practices for performing accurate unsteady simulations. The agreement between the analyses and the predictions was quite remarkable, demonstrating the ability of the analysis to accurately model the unsteady flow processes driving stall-side flutter.

Sanders, Albert J.↗

NASA NTRSDate not supplied

Colloids in Microgravity

Colloidal particles are important in a broad range of applications in technology and materials processing. Due to high sensitivity to thermal fluctuations, a suspension of colloidal particles is considered as an assembly of super-atoms in condensed matter physics. This feature provides an excellent experimental model in statistical mechanics for fundamental studies of microstructural evolution and phase transformation at the individual particle level. However, using colloids to probe three-dimensional phase transitions on Earth remains a challenge as they can be influenced by the gravity force causing the particles to sediment and the solvent to flow. To suppress the undesirable gravity effects, experiments on concentrated colloids were carried out in the International Space Station (ISS) Light Microscopy Module. We will present results of these experiments.

Colloids↗

DOE OSTI2023

Hydro-Code Implementation and Testing of a Kinetic Phase Transition Framework

In this report we describe the Kinetic Phase Transition (KPT) framework that has been worked out over the last 10 years (from around 2014) and the implementation of it into three different codes, the one-dimensional hydro- LASLO and the three-dimensional magneto-hydro- ALEGRA, Sandia codes, via subroutines in the LAMBDA Equations of State and constitutive models package, and Flag, an arbitrary Lagrangian-Eulerian multiphysics code developed within the Lagrangian Applications project (LAP) at LANL. We discuss the introduction of phase mass (and/or volume) fractions that are needed in a code for it to be ‘phase aware’, that is, not only the thermodynamic state is known in each point but also the mixture of the materials’ phases in that point. Further we point to the need of a full Equations of State for each phase in a material to achieve phase awareness and we review the equilibrium phase model, where a phase mixture is at its lowest Gibbs free energy state, to make this point clear. Contrasting the kinetic phase transition to this equilibrium model seamlessly introduce us to the KPT framework that is subsequently thoroughly discussed. While the determination of the total state and the states and mass fractions of phases in each point is a problem that can borrow many of its numerical details from Eulerian codes and mixture of materials (not phases), the update of mass fractions with time in a KPT framework needs a new set of considerations. General for any update model is that we need to prevent mass fractions from becoming unphysical (negative or their sum to be larger than one). We have solved this problem by implementing a subdivision of the hydro time step that prevents the phase from being fully present to not present at all in one subdivided time step by limiting the size of the subdivided time step. This scheme also corrects numerical problems from abrupt changes in parameter values, the so called Gibbs phenomena, that gives rise to slushing between phases in the KPT framework. Interspersed throughout the report are discussions on different thermodynamics considerations. EOS validity windows, limitations on the EOS phase space, are needed for the KPT framework and are discussed separately and exemplified. The KPT framework described in this report has been verified by code comparison, but validation is still an active area of research. There is room for improvement in the update model, both in the model for determination of rates and in how to prevent the mass fractions from becoming unphysical. In addition, the parameters in the KPT update model and the placement of the phase boundary in the EOS phase space, and interactions with other constitutive models, are closely related and interfering with each other. One possible way forward is to simultaneously develop KPT parameters, EOS, and constitutive models for each material.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Three-dimensional microstructural characterization of FBR MOX fuel and the contribution of microstructural features to the thermal conductivity of the fuel

Combination of microstructural characterization, property measurements, and phase field modeling is used to investigate fast breeder reactor (FBR) mixed oxide (MOX) fuel irradiated to burnup of 13.7% fissions per initial metal atom (FIMA). Here, the fuel was characterized at different radial locations, which revealed that grey phase can be present in the central region if it nucleates on five metal precipitates (FMPs). In addition, in the mid-radial region FMPs do not diffuse out of the region once formed and the size of Pd–Te precipitates is dictated by the porosity present in the region. Thermal conductivity measurements were conducted as a function of radial location and the microstructure of the fuel was correlated with the observed trend. Reconstructions of the 3D solid and gaseous fission product structures in different regions of the fuel were used to simulate the effective thermal conductivity (ETC) of the respective regions and determine which microstructural feature has the strongest impact on thermal conductivity. Based on conducted assessment, FMPs and Pd-Te precipitates improve local conductivity of central and mid-radial regions even in the presence of grey phase, but defects are primary contributor to the degradation of thermal conductivity on the periphery of the fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Block Mott insulating state induced by next-nearest-neighbor hopping in the S = 3 2 zigzag chain BaCoTe 2 O 7

Quasi-one-dimensional correlated electronic multiorbital systems with either ladder or chain geometries continue attracting considerable interest due to their complex electronic phases arising from the interplay of the hopping matrix, the crystal-field splitting, the electronic correlations (Hubbard repulsion U and Hund coupling J H ), and strong quantum fluctuations. Recently, the intriguing cobalt zigzag chain system BaCoTe 2 ⁢ O 7 , with electronic density n=7, was prepared experimentally. Here, we systematically study the electronic and magnetic properties of this quasi-one-dimensional compound from the theoretical perspective. Based on first-principles density functional theory calculations, strongly anisotropic one-dimensional electronic Co 3⁢d bands were found near the Fermi level. By evaluating the relevant hopping amplitudes, we provide the magnitude and origin of the nearest-neighbor (NN) and next-nearest-neighbor (NNN) hopping matrices in BaCoTe 2 ⁢ O 7 . With this information, we constructed a three-orbital electronic Hubbard model for this zigzag chain system, and studied two cases: with only a NN hopping matrix, and with NN plus NNN hopping matrices. Introducing the Hubbard and Hund couplings and studying the model via the density matrix renormalization group method, we constructed the ground-state phase diagram. A robust staggered ↑ - ↓ - ↑ - ↓ antiferromagnetic (AFM) region was found when only the NN hopping matrix in the chain direction was employed. However, for the realistic case where the NNN hopping matrix is also included, the dominant state becomes instead a block AFM ↑ - ↑ - ↓ - ↓ order, in agreement with experiments. The system displays Mott insulator characteristics with three half-filled orbitals, when the block AFM order is stable. In conclusion, our results for BaCoTe 2 ⁢O 7 provide guidance to experimentalists and theorists working on this zigzag one-dimensional chain and related materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRSDate not supplied

Characterization of Dendritic Spatially Extended 3D Patterns in Directional Solidification: Microgravity Experiments in DECLIC-DSI onboard ISS and 3D Phase-field Simulations

To clarify and characterize the fundamental physical mechanisms active in the dynamical formation of three-dimensional (3D) arrays of dendrites under diffusive growth conditions, in situ monitoring of series of experiments on transparent model alloy succinonitrile – 0.46 wt% camphor was carried out under low gravity in the DECLIC Directional Solidification Insert onboard the International Space Station. These experiments offer the very unique opportunity to observe in situ and characterize the dynamics of the microstructure formation and evolution in extended 3D patterns under microgravity environment. The analyses of the dendritic patterns for a broad range of growth velocities displaying different levels of sidebranching will be presented. Especially, the time evolution of primary spacing, in case of solidifications at constant pulling rate as well as for experiments with pulling rate jump, will be compared to 3D phase-field simulations, and the results will be discussed in terms of stable spacing range.

Kaihua Ji↗

NASA NTRSDate not supplied

Characterization of Dendritic Spatially Extended 3D Patterns in Directional Solidification: Microgravity Experiments in DECLIC-DSI Onboard ISS and 3D Phase-field Simulations

Kaihua Ji↗

DOE OSTI2024

Dynamic density functional theory of polymers with salt in electric fields

Here we present a dynamic density functional theory for modeling the effects of applied electric fields on the local structure of polymers with added salt (polymer electrolytes). Time-dependent equations for the local electrostatic potential and volume fractions of polymer, cation, and anion of added salt are developed using the principles of linear irreversible thermodynamics. For such a development, a field theoretic description of the free energy of polymer melts doped with salts is used, which captures the effects of local variations in the dielectric function. Connections of the dynamic density functional theory with experiments are established by relating the three phenomenological Onsager’s transport coefficients of the theory to the mutual diffusion of electrolyte, ionic conductivity, and transference number of one of the ions. The theory is connected with a statistical mechanical model developed by Bearman and Kirkwood [J. Chem. Phys. 28, 136 (1958)] after relating the three transport coefficients to friction coefficients. The steady-state limit of the dynamic density functional theory is used to understand the effects of dielectric inhomogeneity on the phase separation in polymer electrolytes. The theory developed here provides not only a way to connect with experiments but also to develop multi-scale models for studying connections between local structure and ion transport in polymer electrolytes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2009

The 2006-2007 Active Phase Of Anomalous X-Ray Pulsar 4U 0142+61: Radiative and Timing Changes, Bursts, and Burst Spectral Features

After at least 6 years of quiescence, Anomalous X-ray Pulsar (AXP) 4U 0142+61 entered an active phase in 2006 March that lasted several months and included six X-ray bursts as well as many changes in the persistent X-ray emission. The bursts, the first seen from this AXP in >11 years of Rossi X-ray Timing Explorer monitoring, all occurred in the interval between 2006 April 6 and 2007 February 7. The burst durations ranged from 8-3x10(exp 3)s. The first five burst spectra are well modeled by blackbodies, with temperatures kT approx. 2 - 6 keV. However, the sixth burst had a complicated spectrum that is well characterized by a blackbody plus three emission features whose amplitude varied throughout the burst. The most prominent feature was at 14.0 keV. Upon entry into the active phase the pulsar showed a significant change in pulse morphology and a likely timing glitch. The glitch had a total frequency jump of (1.9+/-0.4)x10(exp -7) Hz, which recovered with a decay time of 17+/-2 days by more than the initial jump, implying a net spin-down of the pulsar. We discuss these events in the context of the magnetar model.

Gavril, Fotis P.↗

NASA NTRS2010

Characterization of Orbital Debris Photometric Properties Derived from Laboratory-Based Measurements

To better characterize and model optical data acquired from ground-based telescopes, the Optical Measurements Center (OMC) at NASA/JSC attempts to emulate illumination conditions seen in space using equipment and techniques that parallel telescopic observations and source-target-sensor orientations. The OMC uses a 75 Watt Xenon arc lamp as a solar simulator, an SBIG CCD camera with standard Johnson/Bessel filters, and a robotic arm to simulate an object's position and rotation. The laboratory uses known shapes, materials suspected to be consistent with the orbital debris population, and three phase angles to best match the lighting conditions of the telescope based data. The fourteen objects studied in the laboratory are fragments or materials acquired through ground-tests of scaled-model satellites/rocket bodies as well as material samples in more/less "flight-ready" condition. All fragments were measured at 10 increments in a full 360 rotation at 6 , 36 , and 60 phase angles. This paper will investigate published color photometric data for a series of orbital debris targets and compare it to the empirical photometric measurements generated in the OMC. Using the data acquired over specific rotational angles through different filters (B, V, R, I), a color index is acquired (B-R, R-I). Using these values and their associated lightcurves, this laboratory data is compared to observational data obtained on the 1 m telescope of the Astronomical Institute of the University of Bern (AUIB), the 0.9 m operated by the Small- and Medium-Aperture Research Telescope System (SMARTS) Consortium and the Curtis-Schmidt 0.6 m Michigan Orbital Debris Space Debris Telescope both located at Cerro Tololo Inter-American Observatory (CTIO). An empirical based optical characterization model will be presented to provide preliminary correlations between laboratory based and telescope-based data in the context of classification of GEO debris objects.

Cowardin, H.↗

DOE OSTI2023

OC6 Phase III Definition Document

The objective of Phase III of the Offshore Code Comparison Collaboration, Continued, with Correlation and unCertainty (OC6) project was to evaluate the accuracy of aerodynamic load predictions by offshore wind modeling tools for a floating offshore wind turbine as it experiences large surge-translational and pitch-rotational motion, as would occur during normal operation. A variety of models were examined in the project, with the goal of performing a three-way validation between engineering-level tools, higher-fidelity tools, and measurement data from two wind tunnel experimental campaigns. This document provides the necessary information to model and simulate the system studied in the OC6 Phase III project. This information is not only useful for project participants, but also future modelers who want to replicate this work for verification and validation purposes.

17 WIND ENERGY↗

DOE OSTI2023

Experimental and modeling studies of IPDI-based polyurea elastomers – The role of hard segment fraction

Segmented polyureas (PUa) are industrially important class of polymers widely used in coatings, sealant, and adhesive applications. Here, in this paper, we report synthesis, characterization, and modeling of Isophorone Diisocyanate-Diethyl-Toluene-Diamine-Polyether amine (IPDI-DETDA-PO PUa) with varied hard segment contents of 20, 30, and 40 weight percent. For each of the three materials, we study its structure and phase behavior using FTIR, DSC, and TEM, and clearly show the presence of microphase separation between the hard and soft nanodomains. We then measure the linear viscoelastic response of the PUa-s using DMA (frequency sweeps at multiple temperatures). The DMA data are shown to obey the time-temperature superposition. Finally, we develop a new micromechanical model describing the DMA results; the model describes a phase-separated PUa as two “Fractional-order Maxwell gels” branches, connected in parallel, with the first FMG branch representing the “percolated hard phase" and the second one modeling the “filled soft phase". In agreement with the earlier thermodynamic theories, the volume-fraction of the percolated hard phase is related to the hard segment weight-fraction (HSWF), defined as the combined mass of IPDI and DETDA normalized to the total mass of the polymer. The data and model are found to be in a good qualitative and quantitative agreement.

36 MATERIALS SCIENCE↗