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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 235 records · Page 13

Efficiency of a Grazing-incidence Off-plane Grating in the Soft-x-ray Region

Efficiency measurements of a grazing-incidence diffraction grating in the off-plane mount were performed using polarized synchrotron radiation. The grating had 5000 grooves/mm, an effective blaze angle of 14 deg., and was gold coated. The efficiencies in the two polarization orientations (TM and TE) were measured in the 1.5-5.O nm wavelength range and were compared with the efficiencies calculated using the PCGrate-SX code. The TM and TE efficiencies differ, offering the possibility of performing unique science studies of astrophysical, solar, and laboratory sources by exploiting the polarization sensitivity of the off-plane grating.

Seely, J. F.↗

Palo Verde Water Cycle Model

SAND2022-12901 O The Palo Verde Water Cycle Model (PVWCM) is a dynamic multi-physics and economics code that allows managers and engineers to assess the economic benefit of potential water-saving technologies and water sources before money is invested in them. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Middleton, Bobby↗

DUKSUP: A Computer Program for High Thrust Launch Vehicle Trajectory Design and Optimization

From the late 1960's through 1997, the leadership of NASA's Intermediate and Large class unmanned expendable launch vehicle projects resided at the NASA Lewis (now Glenn) Research Center (LeRC). One of LeRC's primary responsibilities --- trajectory design and performance analysis --- was accomplished by an internally-developed analytic three dimensional computer program called DUKSUP. Because of its Calculus of Variations-based optimization routine, this code was generally more capable of finding optimal solutions than its contemporaries. A derivation of optimal control using the Calculus of Variations is summarized including transversality, intermediate, and final conditions. The two point boundary value problem is explained. A brief summary of the code's operation is provided, including iteration via the Newton-Raphson scheme and integration of variational and motion equations via a 4th order Runge-Kutta scheme. Main subroutines are discussed. The history of the LeRC trajectory design efforts in the early 1960's is explained within the context of supporting the Centaur upper stage program. How the code was constructed based on the operation of the Atlas/Centaur launch vehicle, the limits of the computers of that era, the limits of the computer programming languages, and the missions it supported are discussed. The vehicles DUKSUP supported (Atlas/Centaur, Titan/Centaur, and Shuttle/Centaur) are briefly described. The types of missions, including Earth orbital and interplanetary, are described. The roles of flight constraints and their impact on launch operations are detailed (such as jettisoning hardware on heating, Range Safety, ground station tracking, and elliptical parking orbits). The computer main frames on which the code was hosted are described. The applications of the code are detailed, including independent check of contractor analysis, benchmarking, leading edge analysis, and vehicle performance improvement assessments. Several of DUKSUP's many major impacts on launches are discussed including Intelsat, Voyager, Pioneer Venus, HEAO, Galileo, and Cassini.

high thrust trajectory design↗

An Architectural Survey of the Pluto Test Bunker Facility, Nevada National Security Site, Nye County, Nevada

The U.S. Department of Energy (DOE), in conjunction with the National Nuclear Security Administration Nevada Field Office (NNSA/NFO), proposes to reactivate Building 26-2205 as part of a project to detect foundry-type operations with remote sensing. The project is known as the Signals Exploration Testbed, or SET for short. Building 26-2205 (State Historic Preservation Office [SHPO] Resource No. B11558) is the former Compressor Building for the Pluto Program in Area 26 of the Nevada National Security Site (NNSS). Proposed actions at Building 26-2205 include removal of exterior building and site features, such as fencing, concrete pads, a large steel tank, and visible utilities, as well as interior changes to the building’s floor plan. These activities constitute an undertaking subject to review under Section 106 of the National Historic Preservation Act (NHPA) (54 United States Code [USC] § 306101) and its implementing regulations, 36 Code of Federal Regulations (CFR) Part 800.

54 ENVIRONMENTAL SCIENCES↗

The STAGS computer code

Basic information about the computer code STAGS (Structural Analysis of General Shells) is presented to describe to potential users the scope of the code and the solution procedures that are incorporated. Primarily, STAGS is intended for analysis of shell structures, although it has been extended to more complex shell configurations through the inclusion of springs and beam elements. The formulation is based on a variational approach in combination with local two dimensional power series representations of the displacement components. The computer code includes options for analysis of linear or nonlinear static stress, stability, vibrations, and transient response. Material as well as geometric nonlinearities are included. A few examples of applications of the code are presented for further illustration of its scope.

Almroth, B. O.↗

Finite element methods for high speed flows

An explicit finite element based solution procedure for solving the equations of compressible viscous high speed flow is presented. The method uses domain splitting to advance the solution with different timesteps on different portions of the mesh. For steady inviscid flows, adaptive mesh refinement procedures are successfully employed to enhance the definition of discontinuities. Preliminary ideas on the application of adaptive mesh refinement to the solution of problems involving steady viscous flow are presented. Sample timings are given for the performance of the finite element code on modern supercomputers.

Loehner, R.↗

An upwind parabolized Navier-Stokes code for chemically reacting flows

A new upwind, parabolized Navier-Stokes (PNS) code has been developed to compute the hypersonic, viscous, chemically reacting flow around two-dimensional or axisymmetric bodies. The new code is an extension of the upwind (perfect gas) PNS code of Lawrence et al. (1986). The upwind algorithm is based on Roe's flux-difference splitting scheme which has been modified to account for real gas effects. The algorithm solves the gas dynamic and species continuity equations in a 'loosely' coupled manner. The new code has been validated by computing the laminar flow (at free stream Mach number 25) of chemically reacting air over a wedge and a cone. The results of these computations are compared with the results from a centrally-differenced, fully coupled, nonequilibrium PNS code. The agreement is excellent, except in the vicinity of the shock wave where the present code exhibits superior shock capturing capabilities.

Tannehill, John C.↗

Experimental evaluation of expendable supersonic nozzle concepts

Exhaust nozzles for expendable supersonic turbojet engine missile propulsion systems are required to be simple, short and compact, in addition to having good broad-range thrust-minus-drag performance. A series of convergent-divergent nozzle scale model configurations were designed and wind tunnel tested for a wide range of free stream Mach numbers and nozzle pressure ratios. The models included fixed geometry and simple variable exit area concepts. The experimental and analytical results show that the fixed geometry configurations tested have inferior off-design thrust-minus-drag performance in the transonic Mach range. A simple variable exit area configuration called the Axi-Quad nozzle, combining features of both axisymmetric and two-dimensional convergent-divergent nozzles, performed well over a broad range of operating conditions. Analytical predictions of the flow pattern as well as overall performance of the nozzles, using a fully viscous, compressible CFD code, compared very well with the test data.

Baker, V.↗

Experimental study and improved modeling of high-temperature air radiation

Spectral emission measurements were conducted in an atmospheric pressure air plasma. The thermodynamic state of the plasma was determined to be close to local thermodynamic equilibrium (LTE), and the temperature profile was measured. The spectrum emitted by the plasma over the range 2,000 to 8,000 A was recorded and calibrated. This spectrum comprises the major radiating molecular bands and atomic lines in air, and is therefore proposed as a benchmark to test radiative calculations. A comparison of these results with the predictions of the NEQAIR code induced several modeling improvements in the code. In particular, radiative transition probabilities and spectroscopic constants were updated, and additional band systems of NO (NO Delta, Epsilon, Beta prime and Gamma prime) were included. Since the C state from which the NO Delta transition originates is predissociated, a simplified collision-predissociation model for this state was added to the code. These changes are presented, and their effect discussed.

Laux, Christophe O.↗

Comparison of Measured and Block Structured Simulations for the F-16XL Aircraft

This article presents a comparison of the predictions of three RANS codes for flight conditions of the F-16XL aircraft which feature vortical flow. The three codes, ENSOLV, PMB and PAB3D, solve on structured multi-block grids. Flight data for comparison was available in the form of surface pressures, skin friction, boundary layer data and photographs of tufts. The three codes provided predictions which were consistent with expectations based on the turbulence modelling used, which was k- , k- with vortex corrections and an Algebraic Stress Model. The agreement with flight data was good, with the exception of the outer wing primary vortex strength. The confidence in the application of the CFD codes to complex fighter configurations increased significantly through this study.

Boelens, O. J.↗

Standardizing GPU Radiation Test Approaches

While some Graphical Processing Units (GPUs) are discrete components (i.e.GTX1050), others take the form of an IP block or embedded engine within a System on Chip (SoC) device such as the Qualcomm Snapdragon"TM" 820 which contains a Qualcomm Adreno"TM" 530 GPU. Within this device are various functional blocks which can be exercised with software payloads. NVidia's Jetson"TM" TX1 SoC is provided on a System on Module (SOM). Within it are Central Processing Unit (CPU) cores and an nVidia GPU which can be accessed similarly to a discrete GPU coprocessor. While the packaging is different, each one of these GPUs needs to be tested using the same standardized code.

Single Event Effects (SEE)↗

Rate coefficients for rotational state-to-state transitions in H 2 O + H 2 O collisions for cometary and planetary applications, as predicted by mixed quantum-classical theory

We present new calculations of collision cross sections for state-to-state transitions between the rotational states in an H 2 O + H 2 O system, which are used to generate a new database of collisional rate coefficients for cometary and planetary applications. Calculations were carried out using a mixed quantum-classical theory approach that is implemented in the code MQCT. The large basis set of rotational states used in these calculations permits us to predict thermally averaged cross sections for 441 transitions in para- and ortho-H 2 O in a broad range of temperatures. It is found that all state-to-state transitions in the H 2 O + H 2 O system split into two well-defined groups, one with higher cross-section values and lower energy transfer, which corresponds to the dipole-dipole driven processes. The other group has smaller cross sections and higher energy transfer, driven by higher-order interaction terms. We present a detailed analysis of the theoretical error bars, and we symmetrized the state-to-state transition matrixes to ensure that excitation and quenching processes for each transition satisfy the principle of microscopic reversibility. We also compare our results with other data available from the literature for H 2 O + H 2 O collisions.

79 ASTRONOMY AND ASTROPHYSICS↗

Modeling the Superstorm in November 2003

The superstorm on 20.21 November 2003 was the largest geomagnetic storm in solar cycle 23 as measured by Dst, which attained a minimum value of .422 nT. We have simulated this storm to understand how particles originating from the solar wind and ionosphere get access to the magnetosphere and how the subsequent transport and energization processes contribute to the buildup of the ring current. The global electromagnetic configuration and the solar wind H+ distribution are specified by the Lyon-Fedder-Mobarry (LFM) magnetohydrodynamics model. The outflow of H+ and O+ ions from the ionosphere are also considered. Their trajectories in the magnetosphere are followed by a test-particle code. The particle distributions at the inner plasma sheet established by the LFM model and test-particle calculations are then used as boundary conditions for a ring current model. Our simulations reproduce the rapid decrease of Dst during the storm main phase and the fast initial phase of recovery. Shielding in the inner magnetosphere is established at early main phase. This shielding field lasts several hours and then breaks down at late main phase. At the peak of the storm, strong penetration of ions earthward to L shell of 1.5 is revealed in the simulation. It is surprising that O+ is significant but not the dominant species in the ring current in our calculation for this major storm. It is very likely that substorm effects are not well represented in the models and O+ energization is underestimated. Ring current simulation with O+ energy density at the boundary set comparable to Geotail observations produces excellent agreement with the observed symH. As expected in superstorms, ring current O+ is the dominant species over H+ during the main to mid-recovery phase of the storm.

Fok, Mei-Ching↗

Self-consistent GW method: O(N) algorithm for polarizability and self energy

In this work, an efficient implementation of the self-consistent GW method in the FlapwMBPT code [1] is presented. It features the evaluation of polarizability and self-energy which scales linearly with respect to the system size. Altogether the computational time scaling was measured to be be-tween linear and quadratic in the applications to silicon supercells with up to 72 atoms. Application to such materials as paracostibite CoSbS, supercells of La 2 CuO 4 (up to 56 atoms) and SmB 6 , illustrate the potential of the approach in computational material science.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Multinode Multi-GPU Two-Electron Integrals: Code Generation Using the Regent Language

The computation of two-electron repulsion integrals (ERIs) is often the most expensive step of integral-direct self-consistent field methods. Formally it scales as O(N 4 ), where N is the number of Gaussian basis functions used to represent the molecular wave function. In practice, this scaling can be reduced to O(N 2 ) or less by neglecting small integrals with screening methods. The contributions of the ERIs to the Fock matrix are of Coulomb (J) and exchange (K) type and require separate algorithms to compute matrix elements efficiently. We previously implemented highly efficient GPU-accelerated J-matrix and K-matrix algorithms in the electronic structure code TeraChem. Although these implementations supported the use of multiple GPUs on a node, they did not support the use of multiple nodes. This presents a key bottleneck to cutting-edge ab initio simulations of large systems, e.g., excited state dynamics of photoactive proteins. We present our implementation of multinode multi-GPU J- and K-matrix algorithms in TeraChem using the Regent programming language. Regent directly supports distributed computation in a task-based model and can generate code for a variety of architectures, including NVIDIA GPUs. We demonstrate multinode scaling up to 45 GPUs (3 nodes) and benchmark against hand-coded TeraChem integral code. Finally, we also outline our metaprogrammed Regent implementation, which enables flexible code generation for integrals of different angular momenta.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ocean Turbulence: One-Point Closure Model Momentum, Heat and Salt Vertical Diffusivities in the Presence of Shear - Paper 2

We develop and test a 1-point closure turbulence model with the following features: 1) we include the salinity field and derive the expression for the vertical turbulent diffusivities of momentum K(sub m) , heat K(sub h) and salt K(sub s) as a function of two stability parameters: the Richardson number R(sub i) (stratification vs. shear) and the Turner number R(sub rho) (salinity gradient vs. temperature gradient). 2) to describe turbulent mixing below the mixed layer (ML), all previous models have adopted three adjustable "background diffusivities" for momentum, heat and salt. We propose a model that avoids such adjustable diffusivities. We assume that below the ML, the three diffusivities have the same functional dependence on R( sub i) and R(sub rho) as derived from the turbulence model. However, in order to compute R(sub i) below the ML, we use data of vertical shear due to wave-breaking.measured by Gargett et al. The procedure frees the model from adjustable background diffusivities and indeed we employ the same model throughout the entire vertical extent of the ocean. 3) in the local model, the turbulent diffusivities K(sub m,h,s) are given as analytical functions of R(sub i) and R(sub rho). 5) the model is used in an O-GCM and several results are presented to exhibit the effect of double diffusion processes. 6) the code is available upon request.

Canuto, V. M.↗

A Study of Ablation-Flowfield Coupling Relevant to the Orion Heatshield

The coupled interaction between an ablating surface and the surrounding aerothermal environment is studied. An equilibrium ablation model is coupled to the LAURA flowfield solver, which allows the char ablation rate (m-dot(sub c)) to be computed as part of the flowfield solution. The wall temperature (T(sub w)) and pyrolysis ablation rate (m-dot(sub g)) may be specified by the user, obtained from the steady-state ablation approximation, or computed from a a material response code. A 32 species thermochemical nonequilibrium flowfield model is applied, which permits the treatment of C, H, O, N, and Si containing species. Coupled ablation cases relevant to the Orion heatshield are studied. These consist of diffusion-limited oxidation cases with Avcoat as the ablation material. The m-dot(sub c) values predicted from the developed coupled ablation analysis were compared with those obtained from a typical uncoupled ablation analysis. The coupled results were found to be as much as 50% greater than the uncoupled values. This is shown to be a result of the cumulative effect of the two fundamental approximations inherent in the uncoupled analysis.

Johnston, Christopher O.↗

Comparison of Martian Surface Radiation Predictions to the Measurements of Mars Science Laboratory Radiation Assessment Detector (MSL/RAD)

For the analysis of radiation risks to astronauts and planning exploratory space missions, detailed knowledge of particle spectra is an important factor. Detailed measurements of the energetic particle radiation environment on the surface of Mars have been made by the Mars Science Laboratory Radiation Assessment Detector (MSL-RAD) on the Curiosity rover since August 2012, and particle fluxes for a wide range of ion species (up to several hundred MeV/u) and high energy neutrons (8 - 1000 MeV) have been available for the first 200 sols. Although the data obtained on the surface of Mars for 200 sols are limited in the narrow energy spectra, the simulation results using the Badhwar-O'Neill galactic cosmic ray (GCR) environment model and the high-charge and energy transport (HZETRN) code are compared to the data. For the nuclear interactions of primary GCR through Mars atmosphere and Curiosity rover, the quantum multiple scattering theory of nuclear fragmentation (QMSFRG) is used, which includes direct knockout, evaporation and nuclear coalescence. Daily atmospheric pressure measurements at Gale Crater by the MSL Rover Environmental Monitoring Station are implemented into transport calculations for describing the daily column depth of atmosphere. Particles impinging on top of the Martian atmosphere reach the RAD after traversing varying depths of atmosphere that depend on the slant angles, and the model accounts for shielding of the RAD by the rest of the instrument. Calculations of stopping particle spectra are in good agreement with the RAD measurements for the first 200 sols by accounting changing heliospheric conditions and atmospheric pressure. Detailed comparisons between model predictions and spectral data of various particle types provide the validation of radiation transport models, and thus increase the accuracy of the predictions of future radiation environments on Mars. These contributions lend support to the understanding of radiation health risks to astronauts for the planning of various mission scenarios.

Kim, Myung-Hee Y.↗