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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

mesoflow [SWR-22-56]

Mesoflow is a continuum scale simulation tool developed specifically for modeling transport and chemistry at the mesoscale. Our solver utilizes Cartesian block-structured adaptive mesh refinement to resolve complex surface morphologies (of catalysts/biomass particles among others) directly obtained from X-ray tomography data. An immersed boundary based formulation enables rapid representation of complex geometries prevalent in most mesoporous interfaces. The solver is developed on top of open-source performance portable library, AMReX, providing parallel execution capabilities on current and upcoming high-performance-computing (HPC) architectures. Our flexible software framework enables integration of complex chemical mechanisms at heterogenous interfaces and time-split algorithms for circumventing highly disparate reaction and flow time-scales. Our current studies indicate a ten-fold performance gain by using graphics-processing-units (GPU) compared to a single processor for representative problem sizes (2 million cell mesh).

Sitaraman, Hariswaran↗
NASA NTRS2009

Presentation Extensions of the SOAP

A set of extensions of the Satellite Orbit Analysis Program (SOAP) enables simultaneous and/or sequential presentation of information from multiple sources. SOAP is used in the aerospace community as a means of collaborative visualization and analysis of data on planned spacecraft missions. The following definitions of terms also describe the display modalities of SOAP as now extended: In SOAP terminology, View signifies an animated three-dimensional (3D) scene, two-dimensional still image, plot of numerical data, or any other visible display derived from a computational simulation or other data source; a) "Viewport" signifies a rectangular portion of a computer-display window containing a view; b) "Palette" signifies a collection of one or more viewports configured for simultaneous (split-screen) display in the same window; c) "Slide" signifies a palette with a beginning and ending time and an animation time step; and d) "Presentation" signifies a prescribed sequence of slides. For example, multiple 3D views from different locations can be crafted for simultaneous display and combined with numerical plots and other representations of data for both qualitative and quantitative analysis. The resulting sets of views can be temporally sequenced to convey visual impressions of a sequence of events for a planned mission.

Carnright, Robert↗
DOE OSTI2022

Mesoflow: An Open-Source Reacting Flow Solver for Catalysis at Mesoscale

We present the capabilities and software performance metrics of our open-source continuum solver for catalysis, Mesoflow, developed specifically for modeling transport and chemistry at the mesoscale. Our solver utilizes Cartesian block-structured adaptive mesh refinement to resolve complex catalyst surface morphologies directly obtained from X-ray tomography data. An immersed boundary based formulation enables rapid representation of complex geometries prevalent in most mesoporous catalyst interfaces. The solver is developed on top of open-source performance portable library, AMReX, providing parallel execution capabilities on current and upcoming high-performance-computing (HPC) architectures. Our flexible software framework enables integration of complex chemical mechanisms at heterogenous interfaces and time-split algorithms for circumventing highly disparate reaction and flow time-scales. Our current studies indicate a ten-fold performance gain by using graphics-processing-units (GPUs) compared to a single processor for representative problem sizes (2 million cell mesh). We will also present a brief introduction on how to build and use this software for application problems pertaining to catalytic upgrading and gas transport within porous catalyst particles.

adaptive meshing↗
DOE OSTI2020

Performance of an atomic mean-field spin–orbit approach within exact two-component theory for perturbative treatment of spin–orbit coupling

The paper reports development of an atomic mean-field (AMF) spin–orbit approach within the spin-free exact two-component theory in its one-electron variant (SFX2C-1e), a new relativistic quantum-chemical method for treating spin-orbit coupling in molecules. The effective one-electron spin–orbit integral matrix in the four-component representation is assembled as a direct sum of one-centre spin–orbit integral matrices with the mean-field two-electron contributions evaluated using atomic SFX2C-1e Hartree–Fock density matrices. It is then transformed into two-component representation using analytic SFX2C-1e energy derivative formulation. The resulting two-component spin–orbit integral matrix is by design suitable for use in perturbative calculations of spin–orbit coupling, treating SFX2C-1e wavefunctions as unperturbed states. The accuracy of the present AMF approach has been demonstrated using benchmark calculations of spin–orbit splittings for representative diatomic radicals at the equation-of-motion coupled-cluster singles and doubles level. In conclusion, to demonstrate the applicability and accuracy of the present perturbative spin–orbit scheme in calculations of challenging heavy-element containing systems, a thorough computational investigation of six low-lying electronic states of ThO+ is reported.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS2021

Evaluation of Clouds, Radiation, and Precipitation in CMIP6 Models Using Global Weather States Derived from ISCCP-H Cloud Property Data

A clustering methodology is applied to cloud optical depth cloud top pressure (TAU-PC) histograms from the new, 1-degree resolution, ISCCP-H dataset, to derive an updated global Weather State (WS) dataset. Then, PC-TAU histograms from current-climate CMIP6 model simulations are assigned to the ISCCP-H WSs along with their concurrent radiation and precipitation properties, to evaluate model cloud, radiation, and precipitation properties in the context of the Weather States. The new ISCCP-H analysis produces WSs that are very similar to those previously found in the lower resolution ISCCP-D dataset. The main difference lies in the splitting of the ISCCP-D thin stratocumulus WS between the ISCCP-H shallow cumulus and stratocumulus WSs, which results in the reduction by one of the total WS number. The evaluation of the CMIP6 models against the ISCCP-H Weather States, shows that, in the ensemble mean, the models are producing an adequate representation of the frequency and geographical distribution of the WSs, with measurable improvements compared to the WSs derived for the CMIP5 ensemble. However, the frequency of shallow cumulus clouds continues to be underestimated, and, in some WSs the good agreement of the ensemble mean with observations comes from averaging models that significantly overpredict and underpredict the ISCCP-H WS frequency. In addition, significant biases exist in the internal cloud properties of the model WSs, such as the model underestimation of cloud fraction in middle-top clouds and secondarily in midlatitude storm and stratocumulus clouds, that result in an underestimation of cloud SW cooling in those regimes.

Clouds↗
DOE OSTI2023

Heavy-quark spin symmetry breaking in the Born-Oppenheimer approximation

Heavy-quark spin symmetry is explicitly broken by the mass splitting between a heavy-light pseudoscalar meson and its vector partner. This fact plays a pivotal role in the physics of states whose mass lies close to the threshold of an open-flavor meson pair, like X (3872). We show that this source of heavy-quark spin symmetry breaking can be systematically included within the diabatic representation of the Born-Oppenheimer approximation. We verify that including all the appropriate coupled channels guarantees conservation of total angular momentum, parity, and charge-conjugation parity. This marks a fundamental step towards a unified, first-principles study of quarkonia and meson molecules with hidden flavor.

properties of hadrons↗
NASA NTRS1989

Flux splitting algorithms for two-dimensional viscous flows with finite-rate chemistry

The Roe flux difference splitting method was extended to treat 2-D viscous flows with nonequilibrium chemistry. The derivations have avoided unnecessary assumptions or approximations. For spatial discretization, the second-order Roe upwind differencing is used for the convective terms and central differencing for the viscous terms. An upwind-based TVD scheme is applied to eliminate oscillations and obtain a sharp representation of discontinuities. A two-state Runge-Kutta method is used to time integrate the discretized Navier-Stokes and species transport equations for the asymptotic steady solutions. The present method is then applied to two types of flows: the shock wave/boundary layer interaction problems and the jet in cross flows.

Shuen, Jian-Shun↗
NASA NTRS2020

Shape Estimation for Elongated Deformable Object using B-spline Chained Multiple Random Matrices Model

In this paper, a B-spline chained multiple random matrix models (RMMs) representation is proposed to model geometric characteristics of an elongated deformable object. The hyper degrees of freedom structure of the elongated deformable object make its shape estimation challenging. Based on the likelihood function of the proposed B-spline chained multiple RMMs, an expectation-maximization (EM) method is derived to estimate the shape of the elongated deformable object. A split and merge method based on the Euclidean minimum spanning tree (EMST) is proposed to provide initialization for the EM algorithm. The proposed algorithm is evaluated for the shape estimation of the elongated deformable objects in scenarios, such as the static rope with various configurations (including configurations with intersection), the continuous manipulation of a rope and a plastic tube, and the assembly of two plastic tubes. The execution time is computed and the accuracy of the shape estimation results is evaluated based on the comparisons between the estimated width values and its ground-truth, and the intersection over union (IoU) metric.

Gang Yao↗
NASA NTRS1989

Flux splitting algorithms for two-dimensional viscous flows with finite-rate chemistry

The Roe flux-difference splitting method has been extended to treat two-dimensional viscous flows with nonequilibrium chemistry. The derivations have avoided unnecessary assumptions or approximations. For spatial discretization, the second-order Roe upwind differencing is used for the convective terms and central differencing for the viscous terms. An upwind-based TVD scheme is applied to eliminate oscillations and obtain a sharp representation of discontinuities. A two-stage Runge-Kutta method is used to time integrate the discretized Navier-Stokes and species transport equations for the asymptotic steady solutions. The present method is then applied to two types of flows: the shock wave/boundary layer interaction problems and the jet in cross flows.

Shuen, Jian-Shun↗
NASA NTRS1993

Multiblock Navier-Stokes solutions about the F/A-18 wing-LEX-fuselage configuration

Three-dimensional thin-layer Navier-Stokes computations are presented for the F/A-18 configuration. The modeled configuration includes an accurate surface representation of the fuselage, leading-edge extension (LEX), and wing, both with and without leading-edge flap deflection. A multiblock structured grid strategy is employed to decompose the computational flowfield domain around the subject configuration. Steady-state solutions are obtained from an algorithm that solves the compressible Navier-Stokes equations with an upwind-biased, flux-difference splitting approach. The results presented are based on a fully turbulent flow assumption, simulating the high Reynolds number flow conditions that correspond to a recent FI A-18 flight experiment. Good agreements between the computations and the flight test results are obtained for both surface flow patterns as well as surface pressure distributions. Furthermore, a correlation between the computed LEX vortex-core and the flight test results, observed by way of smoke visualization, is also presented.

Aircraft configurations↗
NASA NTRS1974

Stability and control characteristics for the inner mold line configuration of the space shuttle orbiter (OA110)

Experimental aerodynamic investigations were conducted on a sting mounted 0.0405-scale representation of the -140A/B inner mold line (IML) space shuttle orbiter in 7.75 x 11 foot low speed wind tunnel, during the time period from 18 March 1974 to 20 March 1974. The primary test objectives were to establish basic longitudinal and lateral-directional stability and control characteristics for the IML orbiter. Additional configurations investigated were sealed elevon hingeline gaps, sealed rudder split line and hingeline gaps, larger radius leading edge on the vertical tail, and sealed speedbrake base. Aerodynamic force and moment data for the orbiter were measured in the body-axis system by an internally mounted, six-component strain gage balance. The model was sting mounted with the center of rotation located at approximately the wing trailing edge. The nominal angle of attack range was from -4 to +30 degrees. Yaw polars were recorded over a nominal yaw angle range from -14 to +14 degrees at constant angles of attack of 0, + or - 5, 10, 15 and 20 degrees.

Hughes, T.↗
NASA NTRS1994

Spectral representation of high-frequency Space Shuttle data

High frequency Space Shuttle liftoff data are treated by autoregressive (AR) and autoregressive-moving-average (ARMA) digital algorithms. These algorithms provide useful information on the spectral densities of the data. Further, they yield spectral models, which lend themeselves to incorporation into the concept of the random response spectrum. This concept yields a reasonably smooth power spectrum for the design of structural and mechanical systems when the available data bank is limited. Due to the nonstationary of the liftoff event, the pertinent data are split into three slices. Each of the slices is associated with a rather distinguished phase of the liftoff event, in which stationarity can be expected. The presented results are preliminary in nature; they aim to call attention to the availability of the discussed concepts and to the need to augment the Space Shuttle data bank as more flights are completed.

Spanos, P. D.↗
NASA NTRS1981

A High Resolution Spectroscopic Study of the Nu2 Band of Hydrogen Sulfide and the 1-0 Band of Hydrogen Iodide

A tunable diode laser spectrometer was constructed and used to study: (1) the effects of centrifugal distortion on the transition frequencies and strengths of the nu sub 2 band of H2S, and (2) nuclear quadrupole hyperfine structure in the 1-0 band of HI. A total of 126 line frequencies and 94 line strengths in the nu sub 2 band of H2S were measured. The average accuracy of the line frequency measurements was + or - 0.0016 cm. The line strengths were measured to an average accuracy of about 3 percent. The effect of the finite spectral width of the diode laser on the measurement of line strengths is discussed. The observed H2S line frequencies were fit to Watson's AS and NS reduced Hamiltonian in both the Ir and IIIr coordinate representations in order to determine the best set of rotation distortion constants for the upper state of the nu sub 2 band. Comparisons of the observed line strengths in this band to rigid rotor line strengths are also presented. Nuclear quadrupole hyperfine structure in the low J lines of the 1-0 band of HI was observed. The upper vibrational state nuclear quadrupole coupling constant, determined from the observed splittings, was -1850 MHz + or - 12 MHz or 1.2 percent + or - 0.7 percent larger than the ground state coupling constant.

Strow, L. L.↗
NASA NTRS1999

Satellite Derived Land Surface Temperature for Model Assimilation

Studies have shown that land surface temperature (LST) tendencies are sensitive to the surface moisture availability which is a function of soil moisture and vegetation. The assimilation of satellite derived LST tendencies into the surface energy budget of mesoscale models has shown promise in improving the representation of the complex effects of both soil moisture and vegetation within the models for short term simulations. LST derived from geostationary satellites has the potential of providing the temporal and spatial resolution needed for an LST assimilation process. This paper presents an analysis comparing the LST derived from GOES-8 infrared measurements with LST calculated by the MM5 numerical model. The satellite derived LSTs are calculated using a physical split window approach using channels 4 and 5 of GOES-8. The differences in the LST data sets, especially the tendencies, are presented and examined. Quantifying the differences between the data sets provide insight of possible weaknesses in the model parameterizations affecting the surface energy budget calculations and an indication of the potential effectiveness o f assimilating LST into the models.

Suggs, Ronnie J.↗
NASA NTRS1990

Representation of high frequency Space Shuttle data by ARMA algorithms and random response spectra

High frequency Space Shuttle lift-off data are treated by autoregressive (AR) and autoregressive-moving-average (ARMA) digital algorithms. These algorithms provide useful information on the spectral densities of the data. Further, they yield spectral models which lend themselves to incorporation to the concept of the random response spectrum. This concept yields a reasonably smooth power spectrum for the design of structural and mechanical systems when the available data bank is limited. Due to the non-stationarity of the lift-off event, the pertinent data are split into three slices. Each of the slices is associated with a rather distinguishable phase of the lift-off event, where stationarity can be expected. The presented results are rather preliminary in nature; it is aimed to call attention to the availability of the discussed digital algorithms and to the need to augment the Space Shuttle data bank as more flights are completed.

Spanos, P. D.↗
DOE OSTI2020

The role of rotation-vibration coupling in symmetric and asymmetric isotopomers of ozone

A theoretical framework and a computer code (SpectrumSDT) are developed for accurate calculations of coupled rotational–vibrational states in triatomic molecules using hyper-spherical coordinates and taking into account the Coriolis coupling effect. Concise final formulas are derived for the construction of the Hamiltonian matrix using an efficient combination of the variational basis representation and discrete variable representation methods with locally optimized basis sets and grids. First, the new code is tested by comparing its results with those of the APH3D program of Kendrick et al. [Kendrick, Pack, Walker, and Hayes, J. Chem. Phys. 110, 6673 (1999)]. Then, accurate calculations of the rovibrational spectra are carried out for doubly substituted symmetric ( 18 O 16 O 18 O) and asymmetric ( 18 O 18 O 16 O) ozone isotopomers for the total angular momentum up to J = 5. Together with similar data recently reported for the singly substituted symmetric ( 16 O 18 O 16 O) and asymmetric ( 16 O 16 O 18 O) ozone isotopomers, these calculations quantify the role of the Coriolis coupling effect in the large mass-independent isotopic enrichment of ozone, observed in both laboratory experiments and the atmosphere of the Earth. It is found that the Coriolis effect in ozone is relatively small, as evidenced by deviations of its rotational constants from the symmetric-top-rotor behavior, magnitudes of parity splittings (Λ-doubling), and ratios of rovibrational partition functions for asymmetric vs symmetric ozone molecules. It is concluded that all of these characteristics are influenced by the isotopic masses as much as they are influenced by the overall symmetry of the molecule. It is therefore unlikely that the Coriolis coupling effect could be responsible for symmetry-driven mass-independent fractionation of oxygen isotopes in ozone.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

The LPM effect in sequential bremsstrahlung: incorporation of “instantaneous” interactions for QCD

The splitting processes of bremsstrahlung and pair production in a medium are coherent over large distances in the very high energy limit, which leads to a suppression known as the Landau-Pomeranchuk-Migdal (LPM) effect. We continue study of the case when the coherence lengths (formation lengths) of two consecutive splitting processes overlap, avoiding soft-emission approximations. Previous work made a “nearly-complete” calculation of the effect of overlapping formation times on gluonic splittings such as g → gg → ggg (with simplifying assumptions such as an infinite QCD medium and the large-N c limit). In this paper, we extend those previous rate calculations from nearly-complete to complete by including processes involving the exchange of longitudinally-polarized gluons. In the context of Lightcone Pertubation Theory, used earlier for the “nearly-complete” calculation, such exchanges are instantaneous in lightcone time and have their own diagrammatic representation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1987

Visual Speech-Training Aid for the Deaf

Teaching deaf to speak aided by electronic system provides striking colored, pictorial representation of sound; energy at different frequencies as function of time. Other modalities, such as nasality, intra-oral pressure, and lip-muscle contraction, pictorialized simultaneously. Use of standard components, including personal microcomputer, helps reduce cost below prior voice-training systems. Speech-training system, microphone output separated by filters into narrow frequency bands, changed into digital signals, formatted by computer, and displayed on television screen. Output from other sensors displayed simultaneously or screen split to allow sound produced by student to be compared with that of teacher.

Miller, Robert J.↗