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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 1,279 records · Page 71
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Timescale for Detecting the Climate Response to Stratospheric Aerosol Geoengineering

Stratospheric aerosol geoengineering could be used to maintain global mean temperature despite increased atmospheric greenhouse gas (GHG) concentrations, for example to meet a 1.5C or 2C target. While this might reduce many climate change impacts, the resulting climate would not be the same as one with the same global mean temperature due to lower GHG concentrations. The primary question we consider is how long it would take to detect these differences in a hypothetical deployment. We use a recently available 20-member ensemble of stratospheric sulfate aerosol geoengineering simulations in which SO2 is injected at four different latitudes to maintain not just the global mean temperature, but also the interhemispheric and equator-to-pole gradients. This multiple-latitude strategy better matches the climate changes from increased GHG, while the ensemble allows us both to estimate residual differences even when they are small compared to natural variability, and to estimate the statistics of variability. We first construct a linear emulator to predict the model responses for different scenarios. Under an RCP4.5 scenario in which geoengineering maintains a 1.5C target (providing end-of-century cooling of 1.7C), the change in global mean precipitation is projected to have a signal-to-noise ratio (SNR) greater than one after only 11 years. However, in this scenario, the projected temperature and precipitation changes at a grid-scale are typically small enough that in many regions this threshold is still not reached by the end of this century. These results provide some context for the projected magnitude of climate-changes associated with a limited deployment of stratospheric aerosol cooling.

42 ENGINEERING↗
DOE OSTI2014

Analysing organic transistors based on interface approximation

Temperature-dependent characteristics of organic transistors are analysed thoroughly using interface approximation. In contrast to amorphous silicon transistors, it is characteristic of organic transistors that the accumulation layer is concentrated on the first monolayer, and it is appropriate to consider interface charge rather than band bending. On the basis of this model, observed characteristics of hexamethylenetetrathiafulvalene (HMTTF) and dibenzotetrathiafulvalene (DBTTF) transistors with various surface treatments are analysed, and the trap distribution is extracted. In turn, starting from a simple exponential distribution, we can reproduce the temperature-dependent transistor characteristics as well as the gate voltage dependence of the activation energy, so we can investigate various aspects of organic transistors self-consistently under the interface approximation. Small deviation from such an ideal transistor operation is discussed assuming the presence of an energetically discrete trap level, which leads to a hump in the transfer characteristics. The contact resistance is estimated by measuring the transfer characteristics up to the linear region.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Microscopic observation of carrier-transport dynamics in quantum-structure solar cells using a time-of-flight technique

In this study, we propose a carrier time-of-flight technique to evaluate the carrier transport time across a quantum structure in an active region of solar cells. By observing the time-resolved photoluminescence signal with a quantum-well probe inserted under the quantum structure at forward bias, the carrier transport time can be efficiently determined at room temperature. The averaged drift velocity shows linear dependence on the internal field, allowing us to estimate the quantum structure as a quasi-bulk material with low effective mobility containing the information of carrier dynamics. We show that this direct and real-time observation is more sensitive to carrier transport than other conventional techniques, providing better insights into microscopic carrier transport dynamics to overcome a device design difficulty.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

On the geometric dependence of the molecular dipole polarizability in water: A benchmark study of higher-order electron correlation, basis set incompleteness error, core electron effects, and zero-point vibrational contributions

In this work, we investigate how geometric changes influence the static dipole polarizability ($α$) of a water molecule by explicitly computing the corresponding dipole polarizability surface (DPS) across 3125 total (1625 symmetry-unique) geometries using linear response coupled cluster theory including single, double, and triple excitations (LR-CCSDT) and the doubly augmented triple-$ζ$ basis set (d-aug-cc-pVTZ). Analytical formulae based on power series expansions of this $ab initio$ surface are generated using linear least-squares analysis and provide highly accurate estimates of this quantity as a function of molecular geometry (i.e., bond and angle variations) in a computationally tractable manner. An additional database, which consists of 25 representative molecular geometries and incorporates a more thorough treatment of both basis sets and core electron effects, is provided as a current benchmark for this quantity and the corresponding leading-order $C_6$ dispersion coefficient. This database has been utilized to assess the importance of these effects as well as the relative accuracy that can be obtained using several quantum chemical methods and a library of density functional approximations. In addition to high-level electron correlation methods (like CCSD) and our analytical least-squares formulae, we find that the SCAN0, PBE0, MN15, and B97-2 hybrid functionals yield the most accurate descriptions of the molecular polarizability tensor in H 2 O. Using first-order perturbation theory, we compute the zero-point vibrational correction to $α$ at the CCSDT/d-aug-cc-pVTZ level and find that this correction contributes approximately 3% to the isotropic ($α$ iso ) and nearly 50% to the anisotropic ($α$ aniso ) polarizability values. In doing so, we find that $α$ iso = 9.8307 bohr 3 , which is in excellent agreement with the experimental value of 9.83 ± 0.02 bohr 3 provided by Russell and Spackman. The DPS reported herein provides a benchmark-quality quantum mechanical estimate of this fundamental quantity of interest and should find extensive use in the development (and assessment) of next-generation force fields and machine-learning based approaches for modeling water in complex condensed-phase environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Smallest remnants of early matter domination

The evolution of the universe prior to Big Bang Nucleosynthesis could have gone through a phase of early matter domination which enhanced the growth of small-scale dark matter structure. If this period was long enough, self-gravitating objects formed prior to reheating. Here, we study the evolution of these dense early halos through reheating. At the end of early matter domination, the early halos undergo rapid expansion and eventually eject their matter. We find that this process washes out structure on scales much larger than naively expected from the size of the original halos. We compute the density profiles of the early halo remnants and use them to construct late-time power spectra that include these non-linear effects. We evolve the resulting power spectrum to estimate the properties of microhalos that would form after matter-radiation equality. Surprisingly, cosmologies with a short period of early matter domination lead to an earlier onset of microhalo formation compared to those with a long period. In either case, dark matter structure formation begins much earlier than in the standard cosmology, with most dark matter bound in microhalos in the late universe.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Extensive analysis of reconstruction algorithms for DESI 2024 baryon acoustic oscillations

Reconstruction of the baryon acoustic oscillation (BAO) signal has been a standard procedure in BAO analyses over the past decade and has helped to improve the BAO parameter precision by a factor of ∼2 on average. The Dark Energy Spectroscopic Instrument (DESI) BAO analysis for the first year (DR1) data uses the “standard” reconstruction framework, in which the displacement field is estimated from the observed density field by solving the linearized continuity equation in redshift space, and galaxy and random positions are shifted in order to partially remove non-linearities. There are several approaches to solving for the displacement field in real survey data, including the multigrid (MG), iterative Fast Fourier Transform (iFFT), and iterative Fast Fourier Transform particle (iFFTP) algorithms. In this work, we analyze these algorithms and compare them with various metrics including two-point statistics and the displacement itself using realistic DESI mocks. We focus on three representative DESI samples, the emission line galaxies (ELG), quasars (QSO), and the bright galaxy sample (BGS), which cover the extreme redshifts and number densities, and potential wide-angle effects. We conclude that the MG and iFFT algorithms agree within 0.4% in post-reconstruction power spectrum on BAO scales with the RecSym convention, which does not remove large-scale redshift space distortions (RSDs), in all three tracers. The RecSym convention appears to be less sensitive to displacement errors than the RecIso convention, which attempts to remove large-scale RSDs. However, iFFTP deviates from the first two; thus, we recommend against using iFFTP without further development. In addition, we provide the optimal settings for reconstruction for five years of DESI observation. The analyses presented in this work pave the way for DESI DR1 analysis as well as future BAO analyses.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Improving cosmological analyses of HI clustering by reducing stochastic noise

High-number-density tracers of large-scale structure, such as the HI-rich galaxies measured by 21 cm intensity mapping, have low sampling noise, making them particularly promising as cosmological probes. At large scales, this sampling noise can be subdominant to other scale-independent contributions to the power spectrum; such contributions arise from nonlinear bias, and exceed the sampling noise if at least one of the associated bias coefficients is sufficiently large. This has important consequences for cosmological constraints obtained from such tracers, since it indicates that using the power spectrum does not lead to optimal constraints even in the linear regime. In this paper, we provide a conservative estimate of the possible improvement in constraining power of a 21 cm survey if one were to use an optimal analysis strategy (such as field-level analysis), where only the true sampling noise enters the error budget. We find that improvements in uncertainties on some cosmological parameters can be as large as 50%, depending on redshift, foreground cleaning efficiency, scales used in the analysis, and instrumental noise. One byproduct of our work is measurements of bias parameters and stochasticity for neutral hydrogen in the IllustrisTNG simulation over a wide range of redshifts; we provide simple fitting formulas for these measurements. Furthermore, our results motivate further exploration of new optimal analysis techniques and provide important insights into the constraining power of current and future 21 cm surveys.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

PowerMappeR: Power-Optimized Mapping of SNNs onto ReRAM Crossbars coupled via Packet-Switched NoCs

Many recent efforts in developing hardware-accelerated spiking neural networks (SNNs) are characterized by deep co-design between algorithms, architectures, and devices. Architectural advances overcome device constraints by coupling together many small resistive-RAM (ReRAM) crossbars via a network-on-chip (NoC) for neuromorphic component operation. Concurrently, improved SNN training methods increase accuracy and structural sparsity in networks despite growing problem sizes. Finally, compilers leverage these attributes to minimize area and inter-crossbar communication while mapping large SNNs to sophisticated architectures. However, for compiler-driven co-design to realize increasingly complex and profitable optimizations, a compile-time view of power consumption is critical. We present PowerMappeR to express and optimize over mapping-, architecture-, and device-specific power consumption information. By modeling the dynamic power of well-established components, we develop an integer linear programming (ILP)-based, encoding-agnostic, parametric power estimation model. Using this model, we demonstrate practical improvements in area and inter-crossbar communication by 0%–9.5% and 1.4%–5.1%, respectively. We also limit hotspot formation during optimization, achieving comparable or better results in targeted metrics with up to 96.4%–97.1% restriction of hotspot magnitude. Finally, we introduce profile-guided formulations to reduce worst-case and expected-case hotspot magnitude by 40.7%–69.5% and 40.6%–56.3%, respectively. Optimizing worst-case hotspot magnitude incidentally improves expected-case magnitude by 10.85%–33.45%. Reciprocally, optimizing expected-case magnitude incidentally improves worst-case magnitude by 4.33%–39.87%. Validation against hardware simulators confirms that PowerMappeR can decrease dynamic power consumption by 12.6%–27.3%.

Pohl, Devin [ORNL] (ORCID:0009000040149027)↗
DOE OSTI2016

SU-G-TeP4-03: A Multileaf Collimator Calibration and Quality Assurance Technique Using An Electronic Portal Imaging Device

Purpose: To develop an accurate and quick multileaf collimator (MLC) calibration and quality assurance technique using an electronic portal imaging device (EPID) Methods: The MLC models used include the MLCi and Agility (Elekta Ltd). This technique consists of two 22(L)x10(W) cm{sup 2} fields with 0{sup 0} and 180{sup 0} collimator angles centered to an offset EPID. The MLC opening is estimated by calculating the profile at the image’s center in the image’s horizontal direction. Scans in the image’s vertical direction were calculated every 20 pixels in the inner 70% of estimated MLC opening. The profiles’ edges were fitted with linear equations to determine the image’s rotation angle. Then, crossline profiles were scanned at the center of each leaf taking into account the leaf’s width at isocenter and the rotation angle. The profiles’ edges determine the location of the leaves’ edges and these were subtracted from the reference leaf’s position in order to determine the relative leaf offsets. The edge location of all profiles was determined by using the parameterized gradient of the penumbra region. The technique was tested against an established diode array-based method, and for different MLC systems, patterns, gantry angles, days, energies, beam modalities and MLC openings. Results: The differences between the proposed and established methods were 0.26±0.19mm. The leaf offsets’ deviation was <0.3mm (5 months period). For pattern fields, the differences between predetermined and calculated offsets were 0.18±0.18mm. The leaf offset deviation of measurements with different energies and MLC openings were <0.1mm and <0.3mm, respectively. The differences between offsets of FF and FFF beams were 0.01±0.02mm (<0.07mm). The differences between the offsets at different gantry angles were 0.08±0.15mm. Conclusion: The proposed method proved to be accurate and efficient in calculating the relative leaf offsets. Parameterized field edge is essential to obtain accurate result by eliminating the noise from EPID.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

JLEIC electron ring dynamic aperture with non-linear field errors

We present results of dynamic aperture study for the updated electron ring lattice of the Jefferson Lab Electron- Ion Collider (JLEIC). The lattice design features low emittance arcs with local compensation of sextupole nonlinear effects, and low emittance non-linear chromaticity correction sections. Dynamic aperture tracking simulations are performed to evaluate the effects of non-linear field errors, the sensitivity to betatron tune, and the impact of momentum error. Dynamic aperture is also evaluated with the measured PEP-II field errors. Preliminary tolerances to the non-linear field errors in the Final Focus quadrupoles are estimated.

Nosochkov, Yuri↗
DOE OSTI2018

Design and convergence analysis of the conforming virtual element method for polyharmonic problems

In the recent years, there has been a tremendous interest to numerical methods that approximate partial differential equations (PDEs) on computational meshes with arbitrarily-shaped polygonal/polyhedral (polytopal, for short) elements. A nonexhaustive list of such methods include the Mimetic Finite Difference method [4, 9, 21, 24, 28, 33, 35, 62, 64–67], the Polygonal Finite Element Method [68, 73, 74], the polygonal Discontinuous Galerkin Finite Element Methods [5, 7, 8, 10, 13–15, 18, 36, 38, 39, 41, 50], the Hybridizable Discontinuous Galerkin and Hybrid High-Order Methods [46–48, 51], the Gradient Discretization method [49, 53, 54], the Finite Volume Method [52], and the BEM-based FEM [71]. An alternative approach that also proved to be very successful is provided by the Virtual Element method (VEM), which was originally proposed in [19] for the numerical treatment of second-order elliptic problems [43, 44], and readily extended to linear and nonlinear elasticity [22, 25, 56], plate bending problems [37], Cahn-Hilliard equation [3], Stokes equations [2], Laplace-Beltrami equation [55], Darcy-Brinkam equation [76], discrete topology optimization problems [6], fracture networks problems [29], eigenvalue problems [59, 75]. The mixed virtual element formulation was proposed in [20, 34]; the nonconforming Virtual element formulations was proposed for second-order elliptic problems in [16], and later extended to general advection-reaction-diffusion problems, Stokes equation, the biharmonic problems, the iegenvalue problem, and the Schrodinger equation in [11, 30, 42, 45, 58, 80]. The p- and hp-version of the VEM were developed in [26, 27] and efficient multigrid methods for the resulting linear system of equations in [12]. A posteriori error estimates can be found in [40].

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Sequential Monte Carlo for Cut-Bayesian Posterior Computation

We propose a sequential Monte Carlo (SMC) method to efficiently and accurately compute cut-Bayesian posterior quantities of interest, variations of standard Bayesian approaches constructed primarily to account for model misspecification. We prove finite sample concentration bounds for estimators derived from the proposed method along with a linear tempering extension and apply these results to a realistic setting where a computer model is misspecified. We then illustrate the SMC method for inference in a modular chemical reactor example that includes submodels for reaction kinetics, turbulence, mass transfer, and diffusion. The samples obtained are commensurate with a direct-sampling approach that consists of running multiple Markov chains, with computational efficiency gains using the SMC method. Overall, the SMC method presented yields a novel, rigorous approach to computing with cut-Bayesian posterior distributions.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1971

A method for nonlinear exponential regression analysis

A computer-oriented technique is presented for performing a nonlinear exponential regression analysis on decay-type experimental data. The technique involves the least squares procedure wherein the nonlinear problem is linearized by expansion in a Taylor series. A linear curve fitting procedure for determining the initial nominal estimates for the unknown exponential model parameters is included as an integral part of the technique. A correction matrix was derived and then applied to the nominal estimate to produce an improved set of model parameters. The solution cycle is repeated until some predetermined criterion is satisfied.

Junkin, B. G.↗
NASA NTRS1972

Spacecraft platform cost estimating relationships

The three main cost areas of unmanned satellite development are discussed. The areas are identified as: (1) the spacecraft platform (SCP), (2) the payload or experiments, and (3) the postlaunch ground equipment and operations. The SCP normally accounts for over half of the total project cost and accurate estimates of SCP costs are required early in project planning as a basis for determining total project budget requirements. The development of single formula SCP cost estimating relationships (CER) from readily available data by statistical linear regression analysis is described. The advantages of single formula CER are presented.

Gruhl, W. M.↗
NASA NTRS1971

The estimation of the constituent densities of the upper atmosphere by means of a recursive filtering algorithm.

The structure of the upper atmosphere can be indirectly probed by light in order to determine the global density structure of ozone, aerosols, and neutral atmosphere. Scattered and directly transmitted light is measured by a satellite and is shown to be a nonlinear function of the state which is defined to be a point-wise decomposition of the density profiles. Dynamics are imposed on the state vector and a structured estimation problem is developed. The estimation of these densities is then performed using a linearized Kalman-Bucy filter and a linearized Kushner-Stratonovich filter.

Mcgarty, T. P.↗
NASA NTRS1972

Buckling and vibration analysis for stiffened orthotropic shells of revolution.

Development of a numerical method, using the multistep integration approach, in which the buckling and vibration analyses are formulated as a succession of linear eigenvalue problems. The method does not require an estimate of the eigenvector, and once an eigenvalue has been converged good estimates for other eigenvalues are automatically available. This is accomplished through the use of an in-core Householder scheme for solution of the eigenvalue problem. Furthermore, since the method uses an eigenvalue solution, the possibility of missing modes is eliminated.

Svalbonas, V.↗
NASA NTRS1975

On a suspected ring external to the visible rings of Saturn

Reexamination of a photograph of Saturn taken on Nov. 15, 1966, when the earth was nearly in the ring plane, indicates that ring material may exist outside the visible rings, extending to more than 6 Saturnian radii. Although the suspected feature on the photograph appears to be real, the possibility of its being a developed pressure mark or a chance alignment of grains cannot be ruled out. The observed brightness in the blue light was estimated to be 19.5 plus or minus 0.5 per linear arcsecond, implying a normal optical thickness, .0000001 for ice-covered particles. For spacecraft passing through this region, the hazards are found to be minimal.

Smith, B. A.↗