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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 1,225 records · Page 68
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Inverse modeling of circular lattices via orbit response measurements in the presence of degeneracy

The number and location of beam position monitors (BPMs) and steerers with respect to the quadrupoles in a circular lattice can lead to degeneracy in the context of fitting linear optics and extracting lattice information from measured closed orbits. Furthermore, the measurement uncertainties due to the imperfection of BPMs and steerers can be propagated by the fitting process in ways that prohibit the successful extraction of discrepancies between lattice elements in the real machine and their description in the corresponding model. We systematically studied the influence of the placement of BPMs and steerers on the reconstruction of linear optics and corresponding lattice information. The derivative of orbit response coefficients with respect to the quadrupole strengths, the Jacobian, is derived as an analytical formula. This analytical version of the Jacobian is used to further derive the theoretical limitations of fitting linear optics from closed orbits in terms of the placement of BPMs and steerers. It is further demonstrated that when evaluating the Jacobian during the fitting procedure, the analytical version can be used in place of the conventional finite-difference computation. This allows for greatly improved efficiency when computing the Jacobian during each iteration of the fitting procedure. The approach is tested with large-scale simulations and the findings are verified by measurement data taken on SIS18 synchrotron at GSI Helmholtz Centre for Heavy Ion Research. The presented methods are of general nature and can be applied to other accelerator lattices as well. The fitting procedure by using the analytical Jacobian is tested in conjunction with various methods for mitigating quasidegeneracy and the results agree with those obtained by using the conventional Jacobian via finite-difference approximation.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Kinetic entropy-based measures of distribution function non-Maxwellianity: theory and simulations

We investigate kinetic entropy-based measures of the non-Maxwellianity of distribution functions in plasmas, i.e. entropy-based measures of the departure of a local distribution function from an associated Maxwellian distribution function with the same density, bulk flow and temperature as the local distribution. First, we consider a form previously employed by Kaufmann & Paterson (J. Geophys. Res., vol. 114, 2009, A00D04), assessing its properties and deriving equivalent forms. To provide a quantitative understanding of it, we derive analytical expressions for three common non-Maxwellian plasma distribution functions. We show that there are undesirable features of this non-Maxwellianity measure including that it can diverge in various physical limits and elucidate the reason for the divergence. We then introduce a new kinetic entropy-based non-Maxwellianity measure based on the velocity-space kinetic entropy density, which has a meaningful physical interpretation and does not diverge. We use collisionless particle-in-cell simulations of two-dimensional anti-parallel magnetic reconnection to assess the kinetic entropy-based non-Maxwellianity measures. We show that regions of non-zero non-Maxwellianity are linked to kinetic processes occurring during magnetic reconnection. We also show the simulated non-Maxwellianity agrees reasonably well with predictions for distributions resembling those calculated analytically. These results can be important for applications, as non-Maxwellianity can be used to identify regions of kinetic-scale physics or increased dissipation in plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

One-Parameter Analytical Derivation in Modified Budyko Framework for Unsteady-State Streamflow Elasticity in Humid Catchments

The changes in climate and catchment properties have altered the hydrological processes significantly at different spatiotemporal scales around the world. In particular for finer time scales, changes in water storage, which has been commonly neglected for long-term temporal scales, may play an important role on hydrological processes. Nevertheless, few studies addressed this question in modifying the Budyko framework, with most of them remaining a steady-state assumption on catchment characteristics. Here, in this work, we derive new analytical formulas of unsteady-state streamflow elasticity in a modified Budyko framework, incorporating both storage change and one specific parameter for catchment properties. We study 78 humid catchments in the USA with simulation data of daily hydrological processes from a probability-distribution-based hydrological model (the modified HyMOD). As indicated by results, the annual storage change ratio is linearly correlated with the annual aridity index, and this relationship can be used to estimate elasticity coefficients with our formulas. The estimated elasticity coefficients perform well in simulating the annual streamflow with the power-law model. For different catchments, variability of the unsteady-state elasticity is higher than that of the steady-state elasticity. Unsteady-state streamflow coefficients show significant linear correlation with catchment properties, such as the average slope, average elevation, and catchment area. This study provides a new analytical approach to investigate the interannual stability of catchments with varying climate and catchment properties.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Local Lagrangian reduced-order modeling for the Rayleigh-Taylor instability by solution manifold decomposition

The Rayleigh-Taylor instability is a classical hydrodynamic instability of great interest in various disciplines of science and engineering, including astrophysics, atmospheric sciences and climate, geophysics, and fusion energy. Analytical methods cannot be applied to explain the long-time behavior of the Rayleigh-Taylor instability, and therefore, numerical simulation of the full problem is required. However, in order to capture the growth of amplitude of perturbations accurately, both the spatial and temporal discretizations need to be extremely fine for traditional numerical methods, and long-time simulation may become prohibitively expensive. In this paper, we propose efficient reduced order model techniques to accelerate the simulation of the Rayleigh-Taylor instability in compressible gas dynamics. Here, we introduce a general framework for decomposing the solution manifold to construct the temporal domain partition and temporally-local reduced order model construction with varying Atwood number. We propose two practical approaches in this framework, namely decomposition by physical time and by penetration distance. Numerical results are presented to examine the performance of the proposed approaches.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Spinodal enhancement of fluctuations in nucleus-nucleus collisions

Subensemble Acceptance Method (SAM) [1, 2] is an essential link between measured event-by-event fluctuations and their grand canonical theoretical predictions such as lattice QCD. The method allows quantifying the global conservation law effects in fluctuations. In its basic formulation, SAM requires a sufficiently large system such as created in central nucleus-nucleus collisions and sufficient space-momentum correlations. Directly in the spinodal region of the First Order Phase Transition (FOPT) different approximations should be used that account for finite size effects. Thus, we present the generalization of SAM applicable in both the pure phases, metastable and unstable regions of the phase diagram [3]. Obtained analytic formulas indicate the enhancement of fluctuations due to crossing the spinodal region of FOPT and are tested using molecular dynamics simulations. A rather good agreement is observed. Using transport model calculations with interaction potential we show that the spinodal enhancement of fluctuations survives till the later stages of collision via the memory effect [4]. However, at low collision energies the space-momentum correlation is not strong enough for this signal to be transferred to second and third order cumulants measured in momentum subspace. This result agrees well with recent HADES data on proton number fluctuations at $\sqrt{S_{NN}}$ = 2.4 GeV which are found to be consistent with the binomial momentum space acceptance [5].

Poberezhnyuk, Roman↗
DOE OSTI2020

First study of Hohlraum x-ray preheat asymmetry inside an ICF capsule

In indirect drive inertial confinement fusion (ICF), laser induced Hohlraum preheat radiation (so-called M-band, >1.8 keV) asymmetry will lead to asymmetric ablation front and ablator–fuel interface hydrodynamic instability growth in an imploding capsule. First experiments to infer the M-band asymmetries at the capsule were performed on the National Ignition Facility for high density carbon (HDC) ICF capsules in low density fill (0.3 mg/cc 4 He) Au Hohlraums by time resolved imaging of 2.3 keV fluorescence emission of a smaller Mo sphere placed inside the capsule. In this study, the measured Mo emission is pole hot (P 2 > 0) since M-band is generated mainly by the outer laser beams as their irradiance at the Hohlraum wall is 5× higher than for the inner beams. P 2 has a greater negative than positive swing vs time [Δ(P 2 /P 0 )/Δt ~ 0.2/ns], giving insight into laser heated Hohlraum dynamics. P 4 asymmetry is small at the sphere due to efficient geometric smoothing of Hohlraum asymmetries at large Hohlraum -to-capsule ratios. The M-band P 2 history is qualitatively reproduced by radiation hydrodynamic HYDRA simulations. The smaller P 2 than that calculated earlier suggests either less outer beam spot motion and/or preheat emission. At late times, the observed P 2 swing is larger and P 4 is more negative than simulated, which could be due to inner beams being stopped more in the outer beams wall plasma bubble than simulated. Asymmetry at the HDC capsule inner surface (“ice–ablator interface”) is also inferred from the Mo emission asymmetry by an analytic viewfactor model, accounting for the Mo/HDC radius difference and HDC capsule opacity.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Multimode two-dimensional vibronic spectroscopy. I. Orientational response and polarization-selectivity

Two-dimensional Electronic–Vibrational (2D EV) spectroscopy and two-dimensional Vibrational–Electronic (2D VE) spectroscopy are among the newest additions to the coherent multidimensional spectroscopy toolbox, and they are directly sensitive to vibronic couplings. In this first of two papers, the complete orientational response functions are developed for a model system consisting of two coupled anharmonic oscillators and two electronic states in order to simulate polarization-selective 2D EV and 2D VE spectra with arbitrary combinations of linearly polarized electric fields. Here, we propose analytical methods to isolate desired signals within complicated spectra and to extract the relative orientation between vibrational and vibronic dipole moments of the model system using combinations of polarization-selective 2D EV and 2D VE spectral features. Time-dependent peak amplitudes of coherence peaks are also discussed as means for isolating desired signals within the time-domain. This paper serves as a field guide for using polarization-selective 2D EV and 2D VE spectroscopies to map coupled vibronic coordinates on the molecular frame.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Toward direct spatial and intensity characterization of ultra-high-intensity laser pulses using ponderomotive scattering of free electrons

Spatial distributions of electrons ionized and scattered from ultra-low-pressure gases are proposed and experimentally demonstrated as a method to directly measure the intensity of an ultra-high-intensity laser pulse. Analytic models relating the peak scattered electron energy to the peak laser intensity are derived and compared to paraxial Runge–Kutta simulations highlighting two models suitable for describing electrons scattered from weakly paraxial beams (f#>5) for intensities in the range of 1018−1021 W cm−2. Scattering energies are shown to be dependent on gas species, emphasizing the need for specific gases for given intensity ranges. Direct measurements of the laser intensity at full power of two laser systems are demonstrated, both showing a good agreement between indirect methods of intensity measurement and the proposed method. One experiment exhibited the role of spatial aberrations in the scattered electron distribution, motivating a qualitative study on the effect. We propose the use of convolutional neural networks as a method for extracting quantitative information on the spatial structure of the laser at full power. We believe the presented technique to be a powerful tool that can be immediately implemented in many high-power laser facilities worldwide.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

A modular and extensible CHARMM-compatible model for all-atom simulation of polypeptoids

Peptoids (N-substituted glycines) are a class of sequence-defined synthetic peptidomimetic polymers with applications including drug delivery, catalysis, and biomimicry. Classical molecular simulations have been used to predict and understand the conformational dynamics of single chains and their self-assembly into morphologies including sheets, tubes, spheres, and fibrils. The CGenFF-NTOID model based on the CHARMM General Force Field has demonstrated success in accurate all-atom molecular modeling of peptoid structure and thermodynamics. Extension of this force field to new peptoid side chains has historically required reparameterization of side chain bonded interactions against ab initio data. This fitting protocol improves the accuracy of the force field but is also burdensome and precludes modular extensibility of the model to arbitrary peptoid sequences. In this work, we develop and demonstrate a Modular Side Chain CGenFF-NTOID (MoSiC-CGenFF-NTOID) as an extension of CGenFF-NTOID employing a modular decomposition of the peptoid backbone and side chain parameterizations, wherein arbitrary side chains within the large family of substituted methyl groups (i.e., –CH 3 , –CH 2 R, –CHRR', and –CRR'R") are directly ported from CGenFF. We validate this approach against ab initio calculations and experimental data to develop a MoSiC-CGenFF-NTOID model for all 20 natural amino acid side chains along with 13 commonly used synthetic side chains and present an extensible paradigm to efficiently determine whether a novel side chain can be directly incorporated into the model or whether refitting of the CGenFF parameters is warranted. We make the model freely available to the community along with a tool to perform automated initial structure generation.

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

Methodology and analytical approach to investigate the impact of building temperature setpoint schedules

This work presents a method for generating a large set of stochastically varying temperature setpoint schedules for building performance simulations. It analyses tradeoffs resulting from specific changes to those schedules in terms of three quantities: total electricity consumption per day; maximum hourly electricity consumption per day and predicted percentage dissatisfied (occupant thermal comfort). The method for generating schedules requires a single base schedule as the starting point and, using a few clearly defined parameters, transforms it into a set of schedules that can be used for modelling an existing building stock or for performing parametric studies. Temperature setpoint schedules are generated and simulated for a small office building in a cool-dry climate in three different case studies pertaining to changing temperature setpoint schedules. Tradeoffs between the three output metrics are significant and vary based on the temperature setpoint schedules and the time of the year.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

The Atacama Cosmology Telescope: map-based noise simulations for DR6

Abstract The increasing statistical power of cosmic microwave background (CMB) datasets requires a commensurate effort in understanding their noise properties. The noise in maps from ground-based instruments is dominated by large-scale correlations, which poses a modeling challenge. This paper develops novel models of the complex noise covariance structure in the Atacama Cosmology Telescope Data Release 6 (ACT DR6) maps. We first enumerate the noise properties that arise from the combination of the atmosphere and the ACT scan strategy. We then prescribe a class of Gaussian, map-based noise models, including a new wavelet-based approach that uses directional wavelet kernels for modeling correlated instrumental noise. The models are empirical, whose only inputs are a small number of independent realizations of the same region of sky. We evaluate the performance of these models against the ACT DR6 data by drawing ensembles of noise realizations. Applying these simulations to the ACT DR6 power spectrum pipeline reveals a ∼ 20% excess in the covariance matrix diagonal when compared to an analytic expression that assumes noise properties are uniquely described by their power spectrum. Along with our public code,mnms, this work establishes a necessary element in the science pipelines of both ACT DR6 and future ground-based CMB experiments such as the Simons Observatory (SO).

Astronomy & Astrophysics↗
DOE OSTI2022

Cosmic shear in harmonic space from the Dark Energy Survey Year 1 Data: compatibility with configuration space results

ABSTRACT We perform a cosmic shear analysis in harmonic space using the first year of data collected by the Dark Energy Survey (DES-Y1). We measure the cosmic weak lensing shear power spectra using the metacalibration catalogue and perform a likelihood analysis within the framework of CosmoSIS. We set scale cuts based on baryonic effects contamination and model redshift and shear calibration uncertainties as well as intrinsic alignments. We adopt as fiducial covariance matrix an analytical computation accounting for the mask geometry in the Gaussian term, including non-Gaussian contributions. A suite of 1200 lognormal simulations is used to validate the harmonic space pipeline and the covariance matrix. We perform a series of stress tests to gauge the robustness of the harmonic space analysis. Finally, we use the DES-Y1 pipeline in configuration space to perform a similar likelihood analysis and compare both results, demonstrating their compatibility in estimating the cosmological parameters S8, σ8, and Ωm. We use the DES-Y1 metacalibration shape catalogue, with photometric redshifts estimates in the range of 0.2−1.3, divided in four tomographic bins finding σ8(Ωm/0.3)0.5 = 0.766 ± 0.033 at 68 per cent CL. The methods implemented and validated in this paper will allow us to perform a consistent harmonic space analysis in the upcoming DES data.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Faster Randomized Dynamical Decoupling

We present a randomized dynamical decoupling (DD) protocol that can substantially improve the performance of any given deterministic DD scheme for suppressing coherent noise by using no more than two additional pulses. Our construction is implemented by probabilistically applying sequences of pulses, which, when combined, effectively eliminate the error terms that scale linearly with the system-environment coupling strength. As a result, we show that a randomized protocol using a few pulses can outperform deterministic DD protocols that require considerably more pulses. Furthermore, we prove that the randomized protocol provides an improvement compared to deterministic DD sequences that aim to reduce the error in the system’s Hilbert space, such as Uhrig DD, which had been previously regarded to be optimal. To rigorously evaluate the performance, we introduce new analytical methods suitable for analyzing higher-order DD protocols that might be of independent interest. Here, we also present numerical simulations confirming the significant advantage of using randomized protocols compared to widely used deterministic protocols.

Quantum algorithms & computation↗
DOE OSTI2021

Numerical heating in particle-in-cell simulations with Monte Carlo binary collisions

The binary Monte Carlo (MC) collision algorithm is a standard and robust method to include binary Coulomb collision effects in particle-in-cell (PIC) simulations of plasmas. Here we show that the coupling between PIC and MC algorithms can give rise to (nonphysical) numerical heating of the system that significantly exceeds that observed when these algorithms operate independently. We argue that this deleterious effect results from an inconsistency between the particle motion associated with MC collisions and the work performed by the collective electromagnetic field on the PIC grid. This inconsistency manifests as the (artificial) stochastic production of electromagnetic energy, which ultimately heats the plasma particles. Here, the MC-induced numerical heating can significantly impact the evolution of the simulated system for long simulation times (≳10 3 collision periods, for typical numerical parameters). We describe the source of the MC-induced numerical heating analytically and discuss strategies to minimize it.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Active Fluids Form System-Spanning Filamentary Networks

Recent experimental realizations of liquid-liquid phase separation of active liquid crystals have offered an insight into the interaction between phase separation, ubiquitous in soft matter and biology, and chaotic active flows. Here, in this Letter, we use continuum theory to examine phase separation of an active liquid crystal and a passive fluid and report two new results. First, we provide an analytical derivation of the activity-induced suppression of the phase boundary of the coexistence region—a result first reported in simulations and experiments. We show that the shift in the critical point is a result of the balance between self-stirring active flows and phase-separating diffusive fluxes. Second, we show that this same balance is responsible for dramatically changing the morphology of the phase separated state, resulting in the emergence of a new mixed active phase consisting of a dynamical filamentous active network that invades the entire system area, trapping droplets of passive material. This structure exists even for very low volume fractions of active material. Our work provides an important step towards the goal of understanding how to use activity as a new handle for sculpting interfaces.

active nematics↗
DOE OSTI2020

Comprehensive Efficiency Analysis of Current Source Inverter Based SPM Machine Drive System for Traction Applications

A current-source inverter (CSI) has the natural capability of boosting the output voltage which is a notable advantage over voltage source inverter (VSI) in traction drive applications. This paper investigates the voltage boosting feature of the CSI to improve the overall efficiency of the CSI-based surface permanent magnet (SPM) machine drive system in the constant power region. The effects of the boost function on the total system losses, including the machine copper loss, core loss, and magnet loss, as well as the device conduction and switching loss in the CSI and dc/dc converter, are described using analytical models. The operating characteristics of the machine and CSI are validated by 2-D finite-element analysis (FEA) and simulations. Based on the loss model, the effects of the modulation index on the overall drive system losses and power factor have been analyzed. A genetic algorithm has been used to optimize the CSI's boost ratio, demonstrating that the drive system efficiency can be increased by 1% to 2.5% along the constant-power regime envelope by using the boost function.

current source inverter, genetic algorithm, SPM ma↗
DOE OSTI2023

Online Convex Optimization of Programmable Quantum Computers to Simulate Time-Varying Quantum Channels

Simulating quantum channels is a fundamental primitive in quantum computing, since quantum channels define general (trace-preserving) quantum operations. An arbitrary quantum channel cannot be exactly simulated using a finite-dimensional programmable quantum processor, making it important to develop optimal approximate simulation techniques. In this paper, we study the challenging setting in which the channel to be simulated varies adversarially with time. We propose the use of matrix exponentiated gradient descent (MEGD), an online convex optimization method, and analytically show that it achieves a sublinear regret in time. Through experiments, we validate the main results for time-varying dephasing channels using a programmable generalized teleportation processor.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Application of Linear Additive Conditions for Near-Infrared Diffuse Reflectance Absorption Spectroscopy

Determining the homogeneity of material mixing in real time during product processing is critical for quality control. According to the Kubelka–Munk (K-M) function of diffuse reflectance absorption spectrum, absorbance (A) is approximately linear with the content of the components when the sample scattering coefficient (S) is in a certain range. The S is determined by the particle size of powder samples. Therefore, this study determined particle size ranges that satisfy linear additivity in near-infrared diffuse reflectance spectroscopy (NIRDRS). Thus, the proposed NIRDRS analysis technique can be used to determine the homogeneity of material mixes or analyze the percentages of the components in the mixture. In this study, vitamin B3 and vitamin C were used for preparing mixed samples with varying percentages. The experimental results revealed that linear additivity is satisfied when the powder particle size is in the range of less than 280, 280–450, and 450–900 μm. When the confidence level is 0.01, the actual mixed spectra are not significantly different from the “simulated mixed spectra” constructed by linear addition, with their relative deviations less than 1.08%. The absolute errors of the actual and analytic percentages were within 2.98% for each component in the mixtures. The above conclusions also hold for sorghum, which has a complex material composition. Statistical models cannot analyze the percentages of components in the mixture. In contrast, linear addition and direct calibration approach avoids the use of a large number of samples for statistical modeling and analyze the percentages of mixed samples. Meanwhile, it can be used to discriminate and analyze the material mixing uniformity by building a mechanistic model.

Feng, Zhiyue↗