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At least 1,027 records · Page 57

Extracting and Interpreting Electrochemical Impedance Spectra (EIS) from Physics-Based Models of Lithium-Ion Batteries

This paper implements a highly efficient algorithm to extract electrochemical impedance spectra (EIS) from physics-based battery models (e.g., a P2D model). The mathematical approach is different from how EIS is practiced experimentally. Experimentally, the voltage (current) is harmonically perturbed over a wide range of frequencies and the amplitude and phase shift of the corresponding current (voltage) is measured. The experimental approach can be implemented in simulation software, but is computationally expensive. The approach here is to determine locally linear state-space models from the full physical model. The four Jacobian matrices that are the basis of the state-space models can be derived by numerical differentiation of the physical model. The EIS is then extracted from the state-space model using computationally efficient matrix-manipulation techniques. The algorithm can evaluate the full EIS at an instant in time during a transient, independent of whether the battery is in a stationary state. The approach is also able to separate the full-cell impedance to evaluate partial EIS, such as for a battery anode alone. Although such partial EIS is difficult to measure experimentally, the partial EIS provides valuable insights in interpreting the full-cell EIS.

25 ENERGY STORAGE↗

An Intelligent Distributed Ledger Construction Algorithm for IoT

Blockchain is the next generation of secure data management that creates near-immutable decentralized storage. Secure cryptography created a niche for blockchain to provide alternatives to well-known security compromises. However, design bottlenecks with traditional blockchain data structures scale poorly with increased network usage and are extremely computation-intensive. This made the technology difficult to combine with limited devices, like those in Internet of Things networks. In protocols like IOTA, replacement of blockchain's linked-list queue processing with a lightweight dynamic ledger showed remarkable throughput performance increase. However, current stochastic algorithms for ledger construction suffer distinct trade-offs between efficiency and security. This work proposed a machine-learning approach with a multi-arm bandit that resolved these issues and was designed for auditing on limited devices. This algorithm was tested in a reinforcement-learning environment simulating the IOTA ledger's construction with a decision tree. This study showed through regret analysis and experimentation that this approach was secure against impulse manipulation attacks while remaining energy-efficient. Although the IOTA protocol was a pioneer for lightweight distributed ledgers, it is expected that future blockchain protocols will adopt techniques similar to those presented in this work.

multi-arm bandit↗

Effects of window size and shape on accuracy of subpixel centroid estimation of target images

A new algorithm is presented for increasing the accuracy of subpixel centroid estimation of (nearly) point target images in cases where the signal-to-noise ratio is low and the signal amplitude and shape vary from frame to frame. In the algorithm, the centroid is calculated over a data window that is matched in width to the image distribution. Fourier analysis is used to explain the dependency of the centroid estimate on the size of the data window, and simulation and experimental results are presented which demonstrate the effects of window size for two different noise models. The effects of window shape were also investigated for uniform and Gaussian-shaped windows. The new algorithm was developed to improve the dynamic range of a close-range photogrammetric tracking system that provides feedback for control of a large gap magnetic suspension system (LGMSS).

Welch, Sharon S.↗

Elastic and resonance structures of the nucleon from the hadronic tensor in lattice QCD: Implications for neutrino-nucleon scattering and hadron physics

We compute the Euclidean hadronic tensor from charge density operators and extract elastic and resonance structures by employing exponential fits to the four-point function correlator, as well as a Bayesian reconstruction inverse algorithm to obtain the corresponding spectral density for qualitative comparison. We present the determination of the nucleon’s Sachs electric form factor using the hadronic tensor formalism and verify that it is consistent with that from the conventional three-point function calculation. Beyond the elastic peak, we observe a structure located approximately 0.5–0.7 GeV above the nucleon mass in the Bayesian reconstruction. This structure is interpreted as a mixture of the Roper resonance [𝑁⁡(1440)], and states with both positive and negative parities in this mass region, as well as multihadron states. Assuming the observed structure is dominated by 𝐽 𝑃 = 1/2 ± states, we extract the transition electric form factor 𝐺$^*_𝐸$⁡(𝑄 2 ) and the corresponding longitudinal helicity amplitude 𝑆 1/2 ⁡(𝑄 2 ), and compare them with those determined from the CLAS experimental data of nucleon-to-Roper transition. Although fitting to the four-point correlation function or using the inverse algorithm does not resolve individual resonances, it nevertheless enables the determination of total inclusive lepton–nucleon scattering cross sections in appropriate energy bins. This lattice QCD calculation presents the first major step toward studying the inclusive 𝑁 → 𝑋 contributions within the hadronic tensor formalism.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

An order (n) algorithm for the dynamics simulation of robotic systems

The formulation of an Order (n) algorithm for DISCOS (Dynamics Interaction Simulation of Controls and Structures), which is an industry-standard software package for simulation and analysis of flexible multibody systems is presented. For systems involving many bodies, the new Order (n) version of DISCOS is much faster than the current version. Results of the experimental validation of the dynamics software are also presented. The experiment is carried out on a seven-joint robot arm at NASA's Goddard Space Flight Center. The algorithm used in the current version of DISCOS requires the inverse of a matrix whose dimension is equal to the number of constraints in the system. Generally, the number of constraints in a system is roughly proportional to the number of bodies in the system, and matrix inversion requires O(p exp 3) operations, where p is the dimension of the matrix. The current version of DISCOS is therefore considered an Order (n exp 3) algorithm. In contrast, the Order (n) algorithm requires inversion of matrices which are small, and the number of matrices to be inverted increases only linearly with the number of bodies. The newly-developed Order (n) DISCOS is currently capable of handling chain and tree topologies as well as multiple closed loops. Continuing development will extend the capability of the software to deal with typical robotics applications such as put-and-place, multi-arm hand-off and surface sliding.

Chun, H. M.↗

Energy-efficient cooperative resource allocation and task scheduling for Internet of Things environments

Offloading Internet of Things (IoT) tasks to the cloud for further processing might not always lead to an optimal execution time, particularly in situations such as resource contention, under-provisioning, over-provisioning, and fragmentation. In addition, dynamically optimizing the number of Virtual Machines (VMs) for resource scheduling in order to meet application requirements remains a major research challenge. Further, existing resource scheduling algorithms focus primarily on minimizing operational costs while maximizing resource sharing and utilization. Considering energy utilization as part of the resource allocation and scheduling process as an optimization objective for maintaining load balancing has often been neglected. To address these challenges and more, we propose a cooperative energy-aware resource allocation and scheduling strategy based on a Technique for Order of Preference by Similarity to Ideal Solution (TOPSIS) multi-criteria decision-making method. Here we used the Grid Workloads Archive dataset to evaluate our proposed approach named TOPREAL. Experimental results with respect to the allocation of VM resources when considering processing a large segment of tasks indicate that TOPREAL outperforms existing algorithms in terms of energy savings, with an average improvement of 40.25%, while maintaining an average improvement of 16.21% when it comes to execution time. Results also demonstrate that our method can save an average of 78.06 processing hours and 63,215kJ of energy when compared to existing scheduling algorithms. These results demonstrate the effectiveness of our proposed model and the viability of using multi-criteria decision-making techniques such as TOPSIS to solve the resource allocation and scheduling problem in edge environments.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Active control of sound transmission/radiation from elastic plates by vibration inputs. II - Experiments

Actively controlled harmonic force inputs were applied experimentally to reduce the sound transmitted through an elastic circular plate. The control implementation used a time domain least mean square adaptive algorithm with two error sensors. The control forces were applied directly to the plate by point force vibration inputs, while the error information and performance were measured in the radiated acoustic field by microphones. Test cases were also performed in which the error sensors were accelerometers mounted on the plate. When accelerometers were used as error sensors, the controller performance was degraded; leading to the conclusion that minimizing plate motion does not necessarily lead to an associated decrease in radiated sound levels. In contrast, the results show excellent attenuation of the transmitted sound field when microphone error sensors were used. This result was consistent over a range of frequencies. In addition, the experimental results are compared to previously derived analytical results and the effect of using a point or global minimization scheme is discussed.

Metcalf, V. L.↗

Cholesky-based experimental design for Gaussian process and kernel-based emulation and calibration.

Gaussian processes and other kernel-based methods are used extensively to construct approximations of multivariate data sets. The accuracy of these approximations is dependent on the data used. This paper presents a computationally efficient algorithm to greedily select training samples that minimize the weighted L p error of kernel-based approximations for a given number of data. The method successively generates nested samples, with the goal of minimizing the error in high probability regions of densities specified by users. The algorithm presented is extremely simple and can be implemented using existing pivoted Cholesky factorization methods. Training samples are generated in batches which allows training data to be evaluated (labeled) in parallel. For smooth kernels, the algorithm performs comparably with the greedy integrated variance design but has significantly lower complexity. Numerical experiments demonstrate the efficacy of the approach for bounded, unbounded, multi-modal and non-tensor product densities. We also show how to use the proposed algorithm to efficiently generate surrogates for inferring unknown model parameters from data using Bayesian inference.

97 MATHEMATICS AND COMPUTING↗

Integral Twist Actuation of Helicopter Rotor Blades for Vibration Reduction

Active integral twist control for vibration reduction of helicopter rotors during forward flight is investigated. The twist deformation is obtained using embedded anisotropic piezocomposite actuators. An analytical framework is developed to examine integrally-twisted blades and their aeroelastic response during different flight conditions: frequency domain analysis for hover, and time domain analysis for forward flight. Both stem from the same three-dimensional electroelastic beam formulation with geometrical-exactness, and axe coupled with a finite-state dynamic inflow aerodynamics model. A prototype Active Twist Rotor blade was designed with this framework using Active Fiber Composites as the actuator. The ATR prototype blade was successfully tested under non-rotating conditions. Hover testing was conducted to evaluate structural integrity and dynamic response. In both conditions, a very good correlation was obtained against the analysis. Finally, a four-bladed ATR system is built and tested to demonstrate its concept in forward flight. This experiment was conducted at NASA Langley T~ansonic Dynamics Tunnel and represents the first-of-a-kind Mach-scaled fully-active-twist rotor system to undergo forward flight test. In parallel, the impact upon the fixed- and rotating-system loads is estimated by the analysis. While discrepancies are found in the amplitude of the loads under actuation, the predicted trend of load variation with respect to its control phase correlates well. It was also shown, both experimentally and numerically, that the ATR blade design has the potential for hub vibratory load reduction of up to 90% using individual blade control actuation. Using the numerical framework, system identification is performed to estimate the harmonic transfer functions. The linear time-periodic system can be represented by a linear time-invariant system under the three modes of blade actuation: collective, longitudinal cyclic, and lateral cyclic. A vibration minimizing controller is designed based on this result, which implements classical disturbance rejection algorithm with some modifications. The controller is simulated numerically, and more than 90% of the 4P hub vibratory load is eliminated. By accomplishing the experimental and analytical steps described in this thesis, the present concept is found to be a viable candidate for future generation low-vibration helicopters. Also, the analytical framework is shown to be very appropriate for exploring active blade designs, aeroelastic behavior prediction, and as simulation tool for closed-loop controllers.

Shin, SangJoon↗

Benchmarking of Different Inverse Point Kinetics Implementations for an Autocorrected Reactimeter Algorithm

In November 2017, the Transient Reactor Test Facility returned to operation. Since that time, many transient test series have been completed; each has provided valuable data for materials performance, reactor safety that can be applied in future designs. During each experimental series, detector count rates provided important information on the core behavior during transients. However, a limitation of these data is that variations in the neutron distribution during experiments cause errors when attempting to infer reactivity evolution from detector signals. Neutron physics codes can be used to compute the flux shape variations. However, this is a poor solution when the experimental data is used to do verification, validation and uncertainty quantification (VVUQ) on codes. Indeed, if the output of the code is used both as a reference and to correct what the reference is compared to, the circular dependency limits the quality of the VVUQ approach. To overcome this problem, an Autocorrected Reactimeter Algorithm (ACRA) has been developed. This approach infers time-dependent reactivity evolution by testing different spatial corrections and selecting the one that minimizes reactivity variations when the core is in a frozen configuration (i.e. when there is no variation in parameters affecting reactivity). However, the scope of this method was limited to transients where there were negligible thermal feedback. Indeed, the core is never in a frozen configuration when the fuel temperature varies during the whole transient. This is our motivation for the development of an improved version of the ACRA which does not require frozen configurations

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Machine learning-assisted identification of potential sources of bias in measurements of prompt-fission neutron spectra

Unrecognized sources of uncertainty (USU) can bias the reported mean and/or covariance of experimental nuclear data. These biases, in turn, can propagate through evaluated nuclear data to application simulations or may poorly inform nuclear theory that is fitted to the experimental data. Such unknown sources of bias must be tied to the inherent physical constituents of the measurements such as the characteristics of a detector response or a background reduction technique. Here, in this article, a sparse Bayesian learning model is used to support experts in their efforts to identify and characterize USU in experimental prompt fission neutron spectra (PFNS) for spontaneous fissioning of 252 Cf by linking observed biases to features of the measurement system. Three different bias components were found. The first acts as a verification case for the algorithm as it identifies a bias coming from a well-known source related to the use of 6 Li in the neutron detection system. The second two cases demonstrate how this method can benefit the evaluation of experimental nuclear data by identifying, quantifying, and relating unknown biases to potential causes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Nonlinear Behavior of a Typical Airfoil Section with Control Surface Freeplay: A Numerical and Experimental Study

A three degree-of-freedom aeroelastic typical section with control surface freeplay is modeled theoretically as a system of piecewise linear state-space models. The system response is determined by time marching of the governing equations using a standard Runge-Kutta algorithm in conjunction with Henon's method for integrating a system of equations to a prescribed surface of phase space section. Henon's method is used to locate the "switching points" accurately and efficiently as the system moves from one linear region into another. An experimental model which closely approximates the three degree-of-freedom, typical section in two-dimensional, incompressible flow has been created to validate the theoretical model. Consideration is given to modeling realistically the structural damping present in the experimental system. The effect of the freeplay on the system response is examined numerically and experimentally. The development of the state-space model offers a low-order, computationally efficient means of modeling fully the freeplay nonlinearity and may offer advantages in future research which will investigate the effects of freeplay on the control of flutter in the typical section.

Conner, M. D.↗

Numerical computation of transonic flow about wing-fuselage configurations on a vector computer

The transonic wing analysis code TWING, which uses the AF2 relaxation algorithm, has been vectorized to run on the Cray-1S computer. Vectorization of this code improved computational efficiency over that of the CDC 7600 computer by factors of 11 to 13. The improvement compares favorably with the prediction of a theoretical performance model. A convenient generalization now permits the treatment of rudimentary wing-fuselage combinations. Flow predictions for a transport configuration in both isolated-wing and wing-fuselage modes show the expected trends in shock strength and position when compared with wind-tunnel results. An isolated fighter wing is examined in terms of execution time on three different computers and in comparison with experimental data. The computational fluid dynamics code produced during this study is a careful union of an efficient three-dimensional, transonic, numerical algorithm and the vector features presently available on modern computers.

Thomas, S. D.↗

Uncontrolled Learning: Codesign of Neuromorphic Hardware Topology for Neuromorphic Algorithms

Neuromorphic computing has the potential to revolutionize future technologies and our understanding of intelligence, yet it remains challenging to realize in practice. The learning-from-mistakes algorithm, inspired by the brain's simple learning rules of inhibition and pruning, is one of the few brain-like training methods. This algorithm is implemented in neuromorphic memristive hardware through a codesign process that evaluates essential hardware trade-offs. While the algorithm effectively trains small networks as binary classifiers and perceptrons, performance declines significantly with increasing network size unless the hardware is tailored to the algorithm. This work investigates the trade-offs between depth, controllability, and capacity—the number of learnable patterns—in neuromorphic hardware. This highlights the importance of topology and governing equations, providing theoretical tools to evaluate a device's computational capacity based on its measurements and circuit structure. The findings show that breaking neural network symmetry enhances both controllability and capacity. Additionally, by pruning the circuit, neuromorphic algorithms in all-memristive circuits can utilize stochastic resources to create local contrasts in network weights. Through combined experimental and simulation efforts, the parameters are identified that enable networks to exhibit emergent intelligence from simple rules, advancing the potential of neuromorphic computing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

py4DSTEM: A Software Package for Four-Dimensional Scanning Transmission Electron Microscopy Data Analysis

Scanning transmission electron microscopy (STEM) allows for imaging, diffraction, and spectroscopy of materials on length scales ranging from microns to atoms. By using a high-speed, direct electron detector, it is now possible to record a full two-dimensional (2D) image of the diffracted electron beam at each probe position, typically a 2D grid of probe positions. These 4D-STEM datasets are rich in information, including signatures of the local structure, orientation, deformation, electromagnetic fields, and other sample-dependent properties. However, extracting this information requires complex analysis pipelines that include data wrangling, calibration, analysis, and visualization, all while maintaining robustness against imaging distortions and artifacts. In this paper, we present py4DSTEM, an analysis toolkit for measuring material properties from 4D-STEM datasets, written in the Python language and released with an open-source license. We describe the algorithmic steps for dataset calibration and various 4D-STEM property measurements in detail and present results from several experimental datasets. We also implement a simple and universal file format appropriate for electron microscopy data in py4DSTEM, which uses the open-source HDF5 standard. We hope this tool will benefit the research community and help improve the standards for data and computational methods in electron microscopy, and we invite the community to contribute to this ongoing project.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

ReaLigands: A Ligand Library Cultivated from Experiment and Intended for Molecular Computational Catalyst Design

Computational catalyst design requires identification of a metal and ligand that together result in the desired reaction reactivity and/or selectivity. A major impediment to translating computational designs to experiments is evaluating ligands that are likely to be synthesized. Here we provide a solution to this impediment with our ReaLigands library that contains >30,000 monodentate, bidentate (didentate), tridentate, and larger ligands cultivated by dismantling experimentally reported crystal structures. Individual ligands from mononuclear crystal structures were identified using a modified depth-first search algorithm and charge was assigned using a machine learning model based on quantum-chemical calculated features. In the library ligands are sorted based on direct ligand-to-metal atomic connections and on denticity. Representative principal component analysis (PCA) and uniform manifold approximation and projection (UMAP) analyses were used to analyze several tridentate ligand categories, which revealed both the diversity of ligands and connections between ligand categories. Furthermore, we also demonstrated the utility of this library by implementing it with our building and optimization tools, which resulted in the very rapid generation of barriers for 750 bidentate ligands for Rh-hydride ethylene migratory insertion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Projected Future Changes in Tropical Cyclones Using the CMIP6 HighResMIP Multimodel Ensemble

Future changes in tropical cyclone properties are an important component of climate change impacts and risk for many tropical and midlatitude countries. In this study we assess the performance of a multimodel ensemble of climate models, at resolutions ranging from 250 to 25 km. We use a common experimental design including both atmosphere-only and coupled simulations run over the period 1950–2050, with two tracking algorithms applied uniformly across the models. There are overall improvements in tropical cyclone frequency, spatial distribution, and intensity in models at 25 km resolution, with several of them able to represent very intense storms. Projected tropical cyclone activity by 2050 generally declines in the South Indian Ocean, while changes in other ocean basins are more uncertain and sensitive to both tracking algorithm and imposed forcings. Coupled models with smaller biases suggest a slight increase in average TC 10 m wind speeds by 2050.

54 ENVIRONMENTAL SCIENCES↗

A DFT-based kinetic Monte Carlo simulation of multiphase oxide-metal thin film growth

Functional thin films of nanoscale metal pillars in oxide or nitride matrices known as vertically aligned nanocomposite (VAN) have gained much interest owing to their unique strain-coupled and highly anisotropic properties. So far, the deposition of these films has been explored mostly experimentally. In this work, a density functional theory (DFT)-based kinetic Monte Carlo simulation model using Bortz–Kalos–Lebowitz algorithm was developed to understand the growth of VAN films deposited by pulsed laser technique on mismatching substrates. The model has been parameterized and applied to understand the kinetics of growth thin films consisting of Au pillars in CeO2 matrix deposited on SrTiO3 substrates. The effects of pulsed laser deposition (PLD) conditions including the pulse frequency, deposition flux, and substrate temperature were explored. The simulations indicate that the Au pillar size and shape exhibit significant dependence on the PLD conditions. Namely, increasing the temperature increases the average pillar size and lowers the pillar density, and vice versa. In addition, the simulations revealed that increasing the deposition rate results in lowering the average pillar size and increasing the density. Particularly, the DFT results suggest that Au pillar size can be tuned during the initial growth of the first monolayer due to the significantly low activation barrier. Our analysis showed that the relationship between the average pillar size and pillar density is influenced by the kinetics. Furthermore, autocorrelation analysis showed that pillars self-organize in quasi-ordered patterns at certain windows of the deposition conditions, which is attributed to the complex nature of the chemical interactions in the system, the kinetics, and the deposition parameters.

Physics↗