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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 577 records · Page 32

Dynamic Modeling using Output-Error Parameter Estimation based on Frequency Responses Estimated with Multisine Inputs

A method is developed for estimating model parameters, such as nondimensional stability and control derivatives, by fitting transfer function or state-space models to empirical frequency response data using the output-error approach. The frequency response data were computed using Fourier transforms of measured input and output data. The control surfaces were excited with periodic multisine inputs which facilitated time-ecient estimation of multiple-input multiple-output frequency responses. The method was applied to lateral data from a nonlinear flight dynamics simulation of the F-16 aircraft, and to longitudinal data from multiple repeated flight test maneuvers of the NASA T-2 subscale aircraft. Results using simulation data showed the frequency response method compared well to other standard methods for parameter estimation. In addition to including all the available inputs, outputs, and harmonic frequencies in the estimation, relatively small subsets of the measured data could also be used to focus on identifying specific parts of the model. Results from flight test data showed that parameter estimates and uncertainties determined from repeated maneuvers were accurate and in statistical agreement with each other.

Grauer, Jared A.↗

Non Linear Beam Dynamics Studies at SPEAR

The frequency map analysis of a Hamiltonian system recently introduced to accelerators physics in combination with turn-by-turn phase space measurements opens new experimental opportunities for studying non linear dynamic in storage rings. In this paper we report on the experimental program at SPEAR having the goal of measuring the frequency map of the machine. In this paper we discuss the accuracy of the instantaneous tune extraction from experimental data and demonstrate the possibility of the frequency map measurement. The instantaneous tune extraction technique can be applied to experimental tracking data with reasonable accuracy. Frequency map can be experimentally determined using the existing turn-by-turn phase space measurement techniques and NAFF instantaneous tune extraction.

43 PARTICLE ACCELERATORS↗

Phase-space dynamics of Alfvén mode chirping

In tokamak discharges, toroidal Alfvén eigenmodes often experience complex semi-periodic frequency modulation known as chirping. These events modify the local high energy particle distribution and are expected to occur in many future fusion devices, which include energetic beams or fusion products. In this paper, we present a study of simulations of mode chirping made in order to better understand its phase-space properties in a realistic tokamak configuration. We find a mechanism that permits rapid repeated chirping with strong amplitude variation in each chirp. Each chirp is then associated with an amplitude crash to low magnitude and local manipulation of the density gradients through a shift of mode phase through π. The chirping produces high density clumps, which propagate down the fast ion density gradient and low density holes that propagate up the density gradient away from the resonance. This flow of particles across the resonance provides an energy source and local gradients for repeated chirping.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Panoramic Mapping of Phonon Transport from Ultrafast Electron Diffraction and Scientific Machine Learning

Abstract One central challenge in understanding phonon thermal transport is a lack of experimental tools to investigate frequency‐resolved phonon transport. Although recent advances in computation lead to frequency‐resolved information, it is hindered by unknown defects in bulk regions and at interfaces. Here, a framework that can uncover microscopic phonon transport information in heterostructures is presented, integrating state‐of‐the‐art ultrafast electron diffraction (UED) with advanced scientific machine learning (SciML). Taking advantage of the dual temporal and reciprocal‐space resolution in UED, and the ability of SciML to solve inverse problems involving coupled Boltzmann transport equations, the frequency‐dependent interfacial transmittance and frequency‐dependent relaxation times of the heterostructure from the diffraction patterns are reliably recovered. The framework is applied to experimental Au/Si UED data, and a transport pattern beyond the diffuse mismatch model is revealed, which further enables a direct reconstruction of real‐space, real‐time, frequency‐resolved phonon dynamics across the interface. The work provides a new pathway to probe interfacial phonon transport mechanisms with unprecedented details.

36 MATERIALS SCIENCE↗

Water Catalysis of the Reaction of Methanol with OH Radical in the Atmosphere is Negligible

Abstract Faced with the contradictory results of two recent experimental studies [Jara‐Toro et al., Angew. Chem. Int. Ed . 2017 , 56 , 2166 and Chao et al., Angew. Chem. Int. Ed . 2019 , 58 , 5013] of the possible catalytic effect of water vapor on CH 3 OH + OH reaction, we report calculations that corroborate the conclusion made by Chao et al. and extend the rate constant evaluation down to 200 K. The rate constants of the CH 3 OH + OH reaction catalyzed by a water molecule are computed as functions of temperature and relative humidity using high‐level electronic structure and kinetics calculations. The Wuhan–Minnesota Scaling (WMS) method is used to provide accurate energetics to benchmark a density functional for direct dynamics. Both high‐frequency and low‐frequency anharmonicities are included. Variational and tunneling effects are treated by canonical variational transition state theory with multidimensional small‐curvature tunneling. And, most significantly, we include multistructural effects in the rate constant calculations. Our calculations show that the catalytic effect of water vapor is not observable at 200–400 K.

Wu, Junjun↗

Parallel application-level behavioral attributes for performance and energy management of high-performance computing systems

Run time variability of parallel applications continues to present significant challenges to their performance and energy efficiency in high-performance computing (HPC) systems. When run times are extended and unpredictable, application developers perceive this as a degradation of system (or subsystem) performance. Extended run times directly contribute to proportionally higher energy consumption, potentially negating efforts by applications, or the HPC system, to optimize energy consumption using low-level control techniques, such as dynamic voltage and frequency scaling (DVFS). Therefore, successful systemic management of application run time performance can result in less wasted energy, or even energy savings. We have been studying run time variability in terms of communication time, from the perspective of the application, focusing on the interconnection network. More recently, our focus has shifted to developing a more complete understanding of the effects of HPC subsystem interactions on parallel applications. In this context, the set of executing applications on the HPC system is treated as a subsystem, along with more traditional subsystems like the communication subsystem, storage subsystem, etc. To gain insight into the run time variability problem, our earlier work developed a framework to emulate parallel applications (PACE) that stresses the communication subsystem. Evaluation of run time sensitivity to network performance of real applications is performed with a tool called PARSE, which uses PACE. In this paper, we propose a model defining application-level behavioral attributes, that collectively describes how applications behave in terms of their run time performance, as functions of their process distribution on the system (spacial locality), and subsystem interactions (communication subsystem degradation). These subsystem interactions are produced when multiple applications execute concurrently on the same HPC system. We also revisit our evaluation framework and tools to demonstrate the flexibility of our application characterization techniques, and the ease with which attributes can be quantified. The validity of the model is demonstrated using our tools with several parallel benchmarks and application fragments. Results suggest that it is possible to articulate application-level behavioral attributes as a tuple of numeric values that describe course-grained performance behavior.

Computer Science↗

Designing Energy Efficient Communication Runtime Systems: A View from PGAS Models

As the march to the Exascale computing gains momentum, energy consumption of supercomputers has emerged to be the critical roadblock. While architectural innovations are imperative in achieving computing of this scale, it is largely dependent on the systems software to leverage the architectural innovations. Parallel applications in many computationally intensive domains have been designed to leverage these supercomputers, with legacy two-sided communication semantics using Message Passing Interface. At the same time, Partitioned Global Address Space Models are being designed which provide global address space abstractions and one-sided communication for exploiting data locality and communication optimizations. PGAS models rely on one-sided communication runtime systems for leveraging high-speed networks to achieve best possible performance. In this paper, we present a design for Power Aware One-Sided Communication Library - PASCoL. The proposed design detects communication slack, leverages Dynamic Voltage and Frequency Scaling (DVFS) and Interrupt driven execution to exploit the detected slack for energy efficiency. We implement our design and evaluate it using synthetic benchmarks for one-sided communication primitives, Put, Get and Accumulate and uniformly non-contiguous data transfers. Our performance evaluation indicates that we can achieve significant reduction in energy consumption without performance loss on multiple one-sided communication primitives. The achieved results are close to the theoretical peak available with the experimental test bed.

Vishnu, Abhinav↗

Multimodal sensor fusion for real-time standoff estimation in directed energy deposition

In Laser Powder-based Direct Energy Deposition (LP-DED) systems, achieving consistency, precision and quality of produced parts requires tight control over printing parameters. One of the critical parameters is the standoff distance. Maintaining an optimal standoff height is crucial for achieving correct laser power density and powder catchment efficiency, as both laser and powder streams are focused at this distance. Here, this study introduces a novel approach using multimodal sensor fusion to predict standoff height in real-time. The proposed system integrates two low-profile, cost-effective sensors: an RGB coaxial camera and a high frequency and high dynamic range microphone. By utilizing a simple fully connected neural network, trained on a limited dataset, data fusion of these sensors allowed for the real-time prediction of the standoff height. The results demonstrate high resolution and accuracy of the predictions across multiple geometries and a wide range of standoff heights. This approach offers a simple, and cost-effective solution for real-time standoff height monitoring and lays the groundwork for future integration into commercial LP-DED systems.

42 ENGINEERING↗

Differential effects of drought on nonstructural carbohydrate storage in seedlings and mature trees of four species in a subtropical forest

Nonstructural carbohydrates (NSC) play important roles in forest vulnerability to climate change, especially under increasing drought intensity and frequency. Understanding NSC dynamics is essential for accurately predicting the resistance and resilience of forests in response to drought. However, our knowledge of NSC re-sponses to drought is still limited due to the lack of research in trees of di?erent life stages. In this study, we conducted a throughfall exclusion experiment (TFE) with four subtropical evergreen tree species to examine drought e?ects on NSC in mature trees and understory seedlings. Our results showed the differential effects of drought on NSC dynamics of understory seedlings and mature trees. In the TFE experiment, mature trees of all four species were relatively homoeostatic with the insigni?cantly changed NSC pools, photosynthesis, and growth under the drought treatment compared to the control. In contrast, understory seedlings displayed sig-ni?cant decreases in total NSC and soluble sugars (-14.70 ± 3.66% and -16.93 ± 3.85%, respectively) with the exception of Lithocarpus glaber (L. glaber). The seedlings of L. glaber with the highest hydraulic resistance maintained or slightly increased NSC and its components in response to drought. Our study highlights the im-portance of life stage in assessing drought e?ects of trees on NSC storage and then forest C cycling, which could be incorporated into the dynamic global vegetation models (DGVMs) to better understand drought effects on forest C balance in the future.

Zhang, Peipei↗

Application configuration selection for energy-efficient execution on multicore systems

Balanced performance and energy consumption are incorporated in the design of modern computer systems. Several runtime factors, such as concurrency levels, thread mapping strategies, and dynamic voltage and frequency scaling (DVFS) should be considered in order to achieve optimal energy efficiency fora workload. Selecting appropriate run-time factors, however, is one of the most challenging tasks because the run-time factors are architecture-specific and workload-specific. And while most existing works concentrate on either static analysis of the workload or run-time prediction results, we present a hybrid two-step method that utilizes concurrency levels and DVFS settings to achieve the energy efficiency configuration for a worldoad. The experimental results based on a Xeon E5620 server with NPB and PARSEC benchmark suites show that the model is able to predict the energy efficient configuration accurately. On average, an additional 10% EDP (Energy Delay Product) saving is obtained by using run-time DVFS for the entire system. An off-line optimal solution is used to compare with the proposed scheme. Finally, the experimental results show that the average extra EDP saved by the optimal solution is within 5% on selective parallel benchmarks.

97 MATHEMATICS AND COMPUTING↗

Dynamic stiffness modification by internal features in additive manufacturing

Dynamic stiffness, or the product of the modal stiffness and damping ratio, is an important consideration for the design of additively manufactured parts that will experience dynamic loading. Here, this paper describes a demonstration component which was designed and manufactured in two configurations using a metal wire arc additive process. The first configuration was an open channel structure, while the second contained a dynamic absorber in the internal cavity. Frequency response measurements of the two components showed a significant magnitude reduction for the modified component at the original open channel structure's natural frequency and an overall increase in dynamic stiffness. Polymer damping material was then added to further increase the dynamic stiffness.

Additive manufacturing↗

Fermi-Based Kinetic Model for the Sabatier Reaction: Sabatier Principle and Beyond It

The CO 2 methanation reaction (aka the Sabatier reaction) is one of the important carbon utilization technologies to reduce atmospheric greenhouse gases. In this study, kinetic modeling of the Sabatier reaction proceeding via the CO route has been presented by considering weak and strong chemisorption concepts rooted in electronic theory. Based on the single-route mechanism of the Sabatier reaction, the dependence of the reaction rate on the position of the catalyst Fermi level with respect to the antibonding states of the reagent (CO 2 ) and the product (CH 4 ), is demonstrated with the classic Sabatier volcano-shape. Furthermore, the model was applied to explain experimental results of reaction rates for Ni- and Ru-based catalytic systems and to understand origin of enhancement of turnover frequencies established for dynamic catalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Green and cytocompatible carboxyl modified gold–lysozyme nanoantibacterial for combating multidrug-resistant superbugs

The dissemination of multi-drug resistant (MDR) superbugs in hospital environments, communities and food animals and the very dynamic bacterial mutation frequency require the development of prolonged therapeutic strategies to gain mastery over antibiotic resistance. A AuNP–lysozyme nanoantibacterial was fabricated by the conjugation of AuNPs-C 6 H 4 -4-COOH with lysozyme via green reduction of aryldiazonium gold(III) salt [HOOC-4-C 6 H 4 N≡N]AuCl 4 . Results from molecular docking calculations aimed at revealing the binding mode of benzoic acid with the lysozyme structure clearly showed the lowest energy conformation with benzoic acid bound in the deep buried hydrophobic cavity of the protein active site through strong hydrogen bonding and hydrophobic interactions, thus validating the experimental outcomes of the current study which also exhibited the binding of –COOH functional groups in the interior of the protein structure. The superiority of the lysozyme bioconjugate against superbugs was demonstrated by the enhanced and broadened lysozyme antibacterial activities of 98–99% against extended spectrum beta lactamase (ESBL) producing Escherichia coli and imipenem-resistant Pseudomonas aeruginosa clinical isolates and a selection of Gram-negative and Gram-positive standard ATCC strains. Selective toxicity against bacteria was confirmed by the high viability of HeLa and fibroblast cell lines and the outstanding hemocompatibility at the minimum bacterial inhibitory concentrations (MICs). Turbidimetric enzyme kinetic assay showed the enhancement of the lysozyme hydrolytic activity by gold nanoparticles on the Micrococcus lysodeikticus bacterial substrate. Using gel electrophoresis, the induced cell wall breakdown was confirmed by detecting the leaked-out bacterial genomic DNA. The integrity and morphology changes of the E. coli bacteria were investigated using a scanning electron microscope after one hour of contact with the lysozyme–gold bioconjugate. The antibacterial functionalities showed little or no damage to healthy human cells and can be applied to wound dressings and medical devices.

59 BASIC BIOLOGICAL SCIENCES↗

The beat in laser-accelerated ion beams

Regular modulation in the ion velocity distribution becomes detectable if intense femtosecond laser pulses with very high temporal contrast are used for target normal sheath acceleration of ions. Analytical and numerical analysis of the experimental observation associates the modulation with the half-cycle of the driving laser field period. In processes like ion acceleration, the collective and laser-frequency determined electron dynamics creates strong fields in plasma to accelerate the ions. Even the oscillatory motion of electrons and its influence on the acceleration field can dominate over smoothing effects in plasma if a high temporal contrast of the driving laser pulse is given. Acceleration parameters can be directly concluded out of the experimentally observed modulation period in ion velocity spectra. The appearance of the phenomenon at a temporal contrast of ten orders between the intensity of the pulse peak and the spontaneous amplified emission background as well as remaining intensity wings at picosecond time-scale might trigger further parameter studies with even higher contrast.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Doppler optical coherence microscopy and tomography applied to inner ear mechanics

While it is clear that cochlear traveling waves underlie the extraordinary sensitivity, frequency selectivity, and dynamic range of mammalian hearing, the underlying micromechanical mechanisms remain unresolved. Recent advances in low coherence measurement techniques show promise over traditional laser Doppler vibrometry and video microscopy, which are limited by low reflectivities of cochlear structures and restricted optical access. Doppler optical coherence tomography (DOCT) and Doppler optical coherence microscopy (DOCM) both utilize a broadband source to limit constructive interference of scattered light to a small axial depth called a coherence gate. The coherence gate can be swept axially to image and measure sub-nanometer motions of cochlear structures throughout the cochlear partition. The coherence gate of DOCT is generally narrower than the confocal gate of the focusing optics, enabling increased axial resolution (typically 15 μm) within optical sections of the cochlear partition. DOCM, frequently implemented in the time domain, centers the coherence gate on the focal plane, achieving enhanced lateral and axial resolution when the confocal gate is narrower than the coherence gate. We compare these two complementary systems and demonstrate their utility in studying cellular and micromechanical mechanisms involved in mammalian hearing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

THz elastic dynamics in finite-size CoFeB-MgO phononic superlattices

In this article, we present the observation of coherent elastic dynamics in a nano-scale phononic superlattice, which consists of only 4 bilayers. We demonstrate how ultra-short light pulses with a length of 40 fs can be utilized to excite a coherent elastic wave at 0.535 THz, which persist over about 20 ps. In later steps of the elastic dynamics, modes with frequency of 1.7 THz and above appear. All these modes are related to acoustic band gaps. Thus, the periodicity strongly manifests in the wave physics, although the system under investigation has only a small number of spatial periods. To further illustrate this, we show how by breaking the translational invariance of the superlattice, these features can be suppressed. Discussed in terms of phonon blocking and radiation, we elucidate in how far our structures can be considered as useful building blocks for phononic devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗