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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Chimera Spectrum Diagnostics for Peptides Using Two-Dimensional Partial Covariance Mass Spectrometry

The rate of successful identification of peptide sequences by tandem mass spectrometry (MS/MS) is adversely affected by the common occurrence of co-isolation and co-fragmentation of two or more isobaric or isomeric parent ions. This results in so-called `chimera spectra’, which feature peaks of the fragment ions from more than a single precursor ion. The totality of the fragment ion peaks in chimera spectra cannot be assigned to a single peptide sequence, which contradicts a fundamental assumption of the standard automated MS/MS spectra analysis tools, such as protein database search engines. This calls for a diagnostic method able to identify chimera spectra to single out the cases where this assumption is not valid. Here, we demonstrate that, within the recently developed two-dimensional partial covariance mass spectrometry (2D-PC-MS), it is possible to reliably identify chimera spectra directly from the two-dimensional fragment ion spectrum, irrespective of whether the co-isolated peptide ions are isobaric up to a finite mass accuracy or isomeric. We introduce ‘3-57 chimera tag’ technique for chimera spectrum diagnostics based on 2D-PC-MS and perform numerical simulations to examine its efficiency. We experimentally demonstrate the detection of a mixture of two isomeric parent ions, even under conditions when one isomeric peptide is at one five-hundredth of the molar concentration of the second isomer.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

The Santa Barbara Binary-disk Code Comparison

We have performed numerical calculations of a binary interacting with a gas disk, using 11 different numerical methods and a standard binary-disk setup. The goal of this study is to determine whether all codes agree on a numerically converged solution and to determine the necessary resolution for convergence and the number of binary orbits that must be computed to reach an agreed-upon relaxed state of the binary-disk system. We find that all codes can agree on a converged solution (depending on the diagnostic being measured). The zone spacing required for most codes to reach a converged measurement of the torques applied to the binary by the disk is roughly 1% of the binary separation in the vicinity of the binary components. For our disk model to reach a relaxed state, codes must be run for at least 200 binary orbits, corresponding to about a viscous time for our parameters, 0.2(a 2 Ω B /v) is the kinematic viscosity. The largest discrepancies between codes resulted from the dimensionality of the setup (3D vs. 2D disks). We find good agreement in the total torque on the binary between codes, although the partition of this torque between the gravitational torque, orbital accretion torque, and spin accretion torque depends sensitively on the sink prescriptions employed. In agreement with previous studies, we find a modest difference in torques and accretion variability between 2D and 3D disk models. We find cavity precession rates to be appreciably faster in 3D than in 2D.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Performance-portable Binary Neutron Star Mergers with AthenaK

We introduce an extension to the AthenaK code for general-relativistic magnetohydrodynamics (GRMHD) in dynamical spacetimes using a 3+1 conservative Eulerian formulation. Like the fixed-spacetime GRMHD solver, we use standard finite-volume methods to evolve the fluid and a constrained-transport scheme to preserve the divergence-free constraint for the magnetic field. We also utilize a first-order flux correction (FOFC) scheme to reduce the need for an artificial atmosphere and optionally enforce a maximum principle to improve robustness. We demonstrate the accuracy of AthenaK using a set of standard tests in flat and curved spacetimes. Using a SANE accretion disk around a Kerr black hole, we compare the new solver to the existing solver for stationary spacetimes using the so-called "HARM-like" formulation. We find that both formulations converge to similar results. We also include the first published binary neutron star (BNS) mergers performed on graphical processing units (GPUs). Thanks to the FOFC scheme, our BNS mergers maintain a relative error of $\mathcal{O}$(10 –11 ) or better in baryon mass conservation up to collapse. Finally, we perform scaling tests of AthenaK on OLCF Frontier, where we show excellent weak scaling of ≥80% efficiency up to 32,768 GPUs and 74% up to 65,536 GPUs for a GRMHD problem in dynamical spacetimes with six levels of mesh refinement. AthenaK achieves an order-of-magnitude speedup using GPUs compared to CPUs, demonstrating that it is suitable for performing numerical relativity problems on modern exascale resources.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Double-power-law Feature of Energetic Particles Accelerated at Coronal Shocks

Recent observations have shown that in many large solar energetic particle (SEP) events the event-integrated differential spectra resemble double power laws. We perform numerical modeling of particle acceleration at coronal shocks propagating through a streamer-like magnetic field by solving the Parker transport equation, including protons and heavier ions. We find that for all ion species the energy spectra integrated over the simulation domain can be described by a double power law, and the break energy depends on the ion charge-to-mass ratio as E B ~ (Q/A) α , with α varying from 0.16 to 1.2 by considering different turbulence spectral indices. We suggest that the double-power-law distribution may emerge as a result of the superposition of energetic particles from different source regions where the acceleration rates differ significantly due to particle diffusion. The diffusion and mixing of energetic particles could also provide an explanation for the increase of Fe/O at high energies as observed in some SEP events. Although further mixing processes may occur, our simulations indicate that either a power-law break or rollover can occur near the Sun and predict that the spectral forms vary significantly along the shock front, which may be examined by upcoming near-Sun SEP measurements from the Parker Solar Probe and Solar Orbiter.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Impact of the numerical solution approach of a plant hydrodynamic model (v0.1) on vegetation dynamics

Abstract. Numerous plant hydrodynamic models have started to be implemented in vegetation dynamics models, reflecting the central role of plant hydraulic traits in driving water, energy, and carbon cycles, as well as plant adaptation to climate change. Different numerical approximations of the governing equations of the hydrodynamic models have been documented, but the numerical accuracy of these models and its subsequent effects on the simulated vegetation function and dynamics have rarely been evaluated. Using different numerical solution methods (including implicit and explicit approaches) and vertical discrete grid resolutions, we evaluated the numerical performance of a plant hydrodynamic module in the Functionally Assembled Terrestrial Ecosystem Simulator (FATES-HYDRO version 0.1) based on single-point and global simulations. Our simulation results showed that when near-surface vertical grid spacing is coarsened (grid size >10 cm), the model significantly overestimates aboveground biomass (AGB) in most of the temperate forest locations and underestimates AGB in the boreal forest locations, as compared to a simulation with finer vertical grid spacing. Grid coarsening has a small effect on AGB in the tropical zones of Asia and South America. In particular, coarse surface grid resolution should not be used when there are large and prolonged water content differences among soil layers at depths due to long dry-season duration and/or well-drained soil or when soil evaporation is a dominant fraction of evapotranspiration. Similarly, coarse surface grid resolution should not be used when there is lithologic discontinuity along the soil depth. This information is useful for uncertainty quantification, sensitivity analysis, or the training of surrogate models to design the simulations when computational cost limits the use of ensemble simulations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Modeling the topographic influence on aboveground biomass using a coupled model of hillslope hydrology and ecosystem dynamics

Abstract. Topographic heterogeneity and lateral subsurface flow at the hillslope scale of ≤1 km may have outsized impacts on tropical forest through their impacts on water available to plants under water-stressed conditions. However, vegetation dynamics and finer-scale hydrologic processes are not concurrently represented in Earth system models. In this study, we integrate the Energy Exascale Earth System Model (E3SM) land model (ELM) that includes the Functionally Assembled Terrestrial Ecosystem Simulator (FATES), with a three-dimensional hydrology model (ParFlow) to explicitly resolve hillslope topography and subsurface flow and perform numerical experiments to understand how hillslope-scale hydrologic processes modulate vegetation along water availability gradients at Barro Colorado Island (BCI), Panama. Our simulations show that groundwater table depth (WTD) can play a large role in governing aboveground biomass (AGB) when drought-induced tree mortality is triggered by hydraulic failure. Analyzing the simulations using random forest (RF) models, we find that the domain-wide simulated AGB and WTD can be well predicted by static topographic attributes, including surface elevation, slope, and convexity, and adding soil moisture or groundwater table depth as predictors further improves the RF models. Different model representations of mortality due to hydraulic failure can change the dominant topographic driver for the simulated AGB. Contrary to the simulations, the observed AGB in the well-drained 50 ha forest census plot within BCI cannot be well predicted by the RF models using topographic attributes and observed soil moisture as predictors, suggesting other factors such as nutrient status may have a larger influence on the observed AGB. The new coupled model may be useful for understanding the diverse impact of local heterogeneity by isolating the water availability and nutrient availability from the other external and internal factors in ecosystem modeling.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Modeling Wind in Agrivoltaics and its Impact on Eddy Covariance Flux Measurements

Silicon Ranch is conducting a research study at their 138MW Bancroft Station agrivoltaics site, the largest agrivoltaics research array in the US, in which they are using an eddy covariance flux tower to measure the carbon budget. They are interested in finding out if the presence of the panels changes the effectiveness of these measurements. To investigate this topic, NLR performed numerical simulations of wind through the agrivoltaic array to identify under what environmental conditions (wind speed, wind direction, temperatures) and panel tilt angles the mean wind speeds at the measurement heights are significantly altered by the presence of the solar panels. NLR adapted and used the PVade simulation tool [1] to model wind in Silicon Ranch's agrivoltaic array and found that at the height of the flux tower (6m), the wind speed measured is not significantly altered by the presence of solar panels. The percent difference is less than 4% and is generally greatest during daytime conditions at higher wind speeds and perpendicular wind direction. Closer to the ground, the flow is significantly altered (wind speeds are reduced) by the presence of solar panels and the percent difference increases in strong winds. The work confirmed that eddy covariance flux towers can be used within the context of a solar array field.

14 SOLAR ENERGY↗
DOE OSTI2021

PSTN-051: Survey Strategy and Cadence Choices for the Vera C. Rubin Observatory Legacy Survey of Space and Time (LSST)

A summary of survey strategy and cadence choices, simulated and evaluated by the Vera C. Rubin Observatory Legacy Survey of Space and Time (LSST) Scheduler Team, prepared for the Survey Cadence and Optimization Committee (SCOC). A large telescope survey, covering the entire visible sky repeatedly every few days in multiple bandpasses over the course of ten years, is the core idea of the LSST. An area of about 20,000 square degrees observed under a wide range of conditions to deep coadded limiting magnitudes in bandpasses ugrizy enables cosmological studies and studies of the Milky Way structure with unprecedented precision; the same survey, when cadenced well, can serve to open new windows into our understanding of transient and variable stars, and extend our knowledge of small bodies throughout the Solar System by orders of magnitude. The outlines of, and some basic necessary requirements for these goals are outlined in the LSST Science Requirements Document (SRD). Finding options for the observing strategy to meet more detailed needs of an even wider range of science goals, as well as building the LSST Scheduler and Metrics Analysis Framework, has been the work of the LSST Scheduler Team with support and input from the astronomical community, including the Community Observing Strategy Evaluation Paper (COSEP), the Call for White Papers, numerous performance metrics, and guidance from the LSST Science Advisory Committee in their Recommendations for Operations Simulator Experiments. This report will help enable the SCOC to make its recommendation for the preferred survey strategy.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1972

The NASA-USPHS Health Evaluation and Enhancement Program

An exercise program was initiated to assess the feasibility of an on the job health evaluation and enhancement program, as well as to identify the factors which influenced volunteering, adherence, and effectiveness of the program. The program was utilized by 237 of the 998 eligible Federal employees, with a mean attendance of 1.3 days per week. Those who volunteered perceived a need for increased physical activity, felt they had sufficient time to participate, and derived subjective as well as objective benefits. Significant improvements were found in heart rate response to the standard exercise test, body weight, skinfold measurements, and triglycerides. A consistent relationship was found between subjectively reported effects of the program on work, health habits, and behavior, and improvement in cardiovascular function, based on treadmill performance. Numerous personal and programmatic factors influencing volunteering and participation were identified.

Durbeck, D. C.↗
NASA NTRS1973

High temperature lubricant screening and systems studies

Four candidate lubricants for next generation aircraft gas turbine application were tested under open atmosphere conditions in a rig simulating an advanced engine 125 mm bore mainshaft thrust bearing position. Testing was conducted at speeds to 24,000 rpm (3,000,000 bearing DN), bearing ring temperature of 500 F, and with 1200 F air and 100 psi differential pressure across the seals installed in a dual tandem arrangement. Test bearing was a 125 mm bore split inner ring, outer race riding angular contact ball bearing under a 3280 lb. thrust load. One lubricant, a type 2 ester, performed extremely well. The mainshaft seal limited the performance. Numerous design improvements for this seal were indicated.

Jones, D. A.↗
NASA NTRS1975

Analytic aerotriangulation utilizing Skylab earth terrain camera (S-190B) photography

The author has identified the following significant results. Inherent errors in using nonmetric Skylab photography and office-identified photo control made it necessary to perform numerous block adjustment solutions involving different combinations of control and weights. The final block adjustment was executed holding to 14 of the office-identified photo control points. Solution accuracy was evaluated by comparing the analytically computed ground positions of the withheld photo control points with their known ground positions and also by determining the standard errors of these points from variance values. A horizontal position RMS error of 15 meters was attained. The maximum observed error in position at a control point was 25 meters.

Keller, M.↗
NASA NTRS1979

Programs for high-speed Fourier, Mellin and Fourier-Bessel transforms

Several FORTRAN program modules for performing one-dimensional and two-dimensional discrete Fourier transforms, Mellin, and Fourier-Bessel transforms are described along with programs that realize the algebra of high speed Fourier transforms on a computer. The programs can perform numerical harmonic analysis of functions, synthesize complex optical filters on a computer, and model holographic image processing methods.

Ikhabisimov, D. K.↗
NASA NTRS1980

Nonlinear finite element analysis: An alternative formulation

A geometrical nonlinear analysis based on an alternative definition of strain is presented. Expressions for strain are obtained by computing the change in length of the base vectors in the curvilinear element coordinate system. The isoparametric element formulation is assumed in the global Cartesian coordinate system. The approach is based on the minimization of the strain energy, and the resulting nonlinear equations are solved by the modified Newton method. Integration of the first and second variation of the strain energy is performed numerically in the case of two and three dimensional elements. Application is made to a simple long cantilever beam.

Merazzi, S.↗
NASA NTRS1985

Trajectory Analysis and the Orbit Determination

Two programs aid in trajectory analysis. DPTRAJ, ODP and their supporting utility programs capable of handling massive amounts of data and performing numerical calculations required for solving navigation problems associated with planetary fly-by and lander missions. Used extensively in support of Voyager.

Alderson, D. J.↗
NASA NTRS1984

Efficient spares matrix multiplication scheme for the CYBER 203

This work has been directed toward the development of an efficient algorithm for performing this computation on the CYBER-203. The desire to provide software which gives the user the choice between the often conflicting goals of minimizing central processing (CPU) time or storage requirements has led to a diagonal-based algorithm in which one of three types of storage is selected for each diagonal. For each storage type, an initialization sub-routine estimates the CPU and storage requirements based upon results from previously performed numerical experimentation. These requirements are adjusted by weights provided by the user which reflect the relative importance the user places on the resources. The three storage types employed were chosen to be efficient on the CYBER-203 for diagonals which are sparse, moderately sparse, or dense; however, for many densities, no diagonal type is most efficient with respect to both resource requirements. The user-supplied weights dictate the choice.

Lambiotte, J. J., Jr.↗
NASA NTRS1984

Estimation of discontinuous coefficients in parabolic systems: Applications to reservoir simulation

Spline based techniques for estimating spatially varying parameters that appear in parabolic distributed systems (typical of those found in reservoir simulation problems) are presented. The problem of determining discontinuous coefficients, estimating both the functional shape and points of discontinuity for such parameters is discussed. Convergence results and a summary of numerical performance of the resulting algorithms are given.

Lamm, P. D.↗