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At least 253 records · Page 14

Nanoribbons or weakly connected acenes? The influence of pyrene insertion on linearly extended ring systems

Derived from the lateral fusion of benzene rings, acenes are a class of π-conjugated molecules containing a single aromatic sextet, where system size is inversely correlated with chemical stability. In the pursuit of creating graphene nanoribbons/nanowires, several extended-ring structures have been synthesized through linear combinations of azaacenes and pyrene. Importantly, these extended systems demonstrate enhanced chemical stability and allow for the construction of macromolecular-sized structures. In this report we present a combined quantum-chemical and experimental study to reveal the cost of these improved characteristics in fully carbon-based systems. The results clearly show that pyrene moieties inserted among acene units do not result in long acene-like structures, rather the pyrene-inserted acene is, electronically, a series of (nearly) isolated acenes. The origin of pyrene's electronic blocking effect and implications on oxidized and photoexcited states of these extended-ring systems are detailed. The results of this investigation definitively show that coupling pyrene in an orthogonal orientation (through the 4, 5/9, 10 positions or e/l faces) to acenes should be eschewed if nanographene-/nanowire-like structures are desired.

36 MATERIALS SCIENCE↗

Free piston linear motor compressor and associated systems of operation

A linear motor compressor including a compressor housing and a cylinder housing having a plurality of opposing compression chambers. A piston freely reciprocates within the cylinder housing using a linear electric motor. A piston position feedback control system provides adaptive current output as a function of position feedback and/or velocity feedback from the piston and/or the electric motor, to directly power and control the electric motor, wherein the piston reciprocates without assistance from a mechanical spring or other equivalent centering force.

Stair, Jason↗

Theoretical Development of Controller Transfer applied to Dynamical Systems

Data-driven control strategies suffer from the necessity of training and its associated computational time and cost. This motivates the continuous increase of popularity of transfer learning based methods. In this paper, we have investigated transfer learning in the context of controller for dynamical systems. First, we have derived conditions under which controller can be transferred between two linear dynamical systems. Furthermore, we have introduced a novel algorithm to design the transferable and non-transferable control components for linear systems. Secondly, we have derived conditions under which a stabilizing controller can be transferred between two different nonlinear dynamical systems. Furthermore, we have used the notion of zero dynamics to transform the nonlinear dynamics into global normal form, to derive the transferability conditions on the controller. Finally, we have numerically evaluated the performance of our transfer learning based methods for two sets of example linear and nonlinear dynamical systems.

Chakraborty, Indrasis↗

Rigorous justification for the space–split sensitivity algorithm to compute linear response in Anosov systems

Ruelle gave a formula for linear response of transitive Anosov diffeomorphisms. Recently, practically computable realizations of Ruelle's formula have emerged that potentially enable sensitivity analysis of certain high-dimensional chaotic numerical simulations encountered in the applied sciences. In this paper, we provide full mathematical justification for the convergence of one such efficient computation, the space–split sensitivity, or S3, algorithm. In S3, Ruelle's formula is computed as a sum of two terms obtained by decomposing the perturbation vector field into a coboundary and a remainder that is parallel to the unstable direction. Such a decomposition results in a splitting of Ruelle's formula that is amenable to efficient computation. Here, we prove the existence of the S3 decomposition and the convergence of the computations of both resulting components of Ruelle's formula.

97 MATHEMATICS AND COMPUTING↗

Truncated non-linear interferometer-based sensor system

A truncated non-linear interferometer-based sensor system includes an input that receives an optical beam and a non-linear amplifier that generates a probe beam and a conjugate beam from the optical beam. The system's local oscillators are related to the probe beam and the conjugate beam. The system includes a sensor that transduces an input with the probe beam and the conjugate beam. The transduction detects changes in the phase of each of the probe beam and the conjugate beam. The system's phase sensitive detectors detect phase modulations between the respective local oscillators, the probe beam, and the conjugate beam and outputs phase signals based on detected phase modulations. The system measures phase signals indicative of the sensor's input resulting from a sum or difference of the phase signals. The measurement exhibits a quantum noise reduction in an intensity difference, a phase sum, or an amplitude difference quadrature.

47 OTHER INSTRUMENTATION↗

DIRECT RF SAMPLING BASED LLRF CONTROL SYSTEM FOR C-BAND LINEAR ACCELERATOR

Low Level RF (LLRF) control systems of linear accel- erators (LINACs) are typically implemented with hetero- dyne based architectures, which have complex analog RF mixers for up and down conversion. The Gen 3 Radio Fre- quency System-on-Chip (RFSoC) device from AMD Xilinx integrates data converters with maximum RF frequency of 6 GHz. This enables direct RF sampling of C-band LLRF signal typically operated at 5.712 GHz without any analogue mixers, which can significantly simplify the system architec- ture. The data converters sample RF signals in higher order Nyquist zones and then up or down convert digitally by the integrated data path in RFSoC. The closed-loop feedback control firmware implemented in FPGA integrated in RF- SoC can process the base-band signal from the ADC data path and calculate the updated phase and amplitude to be up- mixed by the DAC data path. We have developed a C-band LLRF control RFSoC platform with direct RF sampling, which targets Cool Copper Collider (𝐶3) and other C or S band LINAC research and development projects. In this paper, the architecture of the platform will be described. We have optimized the configuration of the data converter and characterized performance of them with RF pulses. The test results for some of the key performance parameters for the LLRF platform with our custom solid-state amplifier, such as phase and amplitude stability, will be discussed in this paper.

Liu, C↗

Flow-driven spectral chaos (FSC) method for simulating long-time dynamics of arbitrary-order non-linear stochastic dynamical systems

Uncertainty quantification techniques such as the time-dependent generalized polynomial chaos (TD-gPC) use an adaptive orthogonal basis to better represent the stochastic part of the solution space (aka random function space) in time. However, because the random function space is constructed using tensor products, TD-gPC-based methods are known to suffer from the curse of dimensionality. Here, we introduce a new numerical method called the flow-driven spectral chaos (FSC) which overcomes this curse of dimensionality at the random-function-space level. The proposed method is not only computationally more efficient than existing TD-gPC-based methods but is also far more accurate. The FSC method uses the concept of enriched stochastic flow maps to track the evolution of a finite-dimensional random function space efficiently in time. To transfer the probability information from one random function space to another, two approaches are developed and studied herein. In the first approach, the probability information is transferred in the mean-square sense, whereas in the second approach the transfer is done exactly using a new theorem that was developed for this purpose. The FSC method can quantify uncertainties with high fidelity, especially for the long-time response of stochastic dynamical systems governed by ODEs of arbitrary order. Six representative numerical examples, including a nonlinear problem (the Van-der-Pol oscillator), are presented to demonstrate the performance of the FSC method and corroborate the claims of its superior numerical properties. Finally, a parametric, high-dimensional stochastic problem is used to demonstrate that when the FSC method is used in conjunction with Monte Carlo integration, the curse of dimensionality can be overcome altogether.

(nonlinear) stochastic dynamical systems↗

Online State Estimation for Time-Varying Systems

The paper investigates the problem of estimating the state of a time-varying system with a linear measurement model; in particular, the paper considers the case where the number of measurements available can be smaller than the number of states. In lieu of a batch linear least-squares (LS) approach well-suited for static networks, where a sufficient number of measurements could be collected to obtain a full-rank design matrix the paper proposes an online algorithm to estimate the possibly time-varying state by processing measurements as and when available. The design of the algorithm hinges on a generalized LS cost augmented with a proximal-point-type regularization. With the solution of the regularized LS problem available in closed-form, the online algorithm is written as a linear dynamical system where the state is updated based on the previous estimate and based on the new available measurements. Conditions under which the algorithmic steps are in fact a contractive mapping are shown, and bounds on the estimation error are derived for different noise models. Numerical simulations are provided to corroborate the analytical findings.

24 POWER TRANSMISSION AND DISTRIBUTION↗

High-power test of a C-band linear accelerating structure with an RFSoC-based LLRF system

Normal conducting linear particle accelerators consist of multiple rf stations with accelerating structure cavities. Low-level rf (LLRF) systems are employed to set the phase and amplitude of the field in the accelerating structure and to compensate for the pulse-to-pulse fluctuation of the rf field in the accelerating structures with a feedback loop. The LLRF systems are typically implemented with analog rf mixers, heterodyne-based architectures, and discrete data converters. There are multiple rf signals from each of the rf stations, so the number of rf channels required increases rapidly with multiple rf stations. With a large number of rf channels, the footprint, component cost, and system complexity of the LLRF hardware will increase significantly. To meet the design goals of being compact and affordable for future accelerators, we have designed the next-generation LLRF (NG-LLRF) with a higher integration level based on RFSoC technology. The NG-LLRF system samples rf signals directly and performs rf mixing digitally. Further, the NG-LLRF has been characterized in loopback mode to evaluate the performance of the system and has also been tested with a standing-wave accelerating structure, a prototype for the Cool Copper Collider (C 3 ) with a peak rf power level up to 16.45 MW. The loopback test demonstrated amplitude fluctuation below 0.15% and phase fluctuation below 0.15°, which are considerably better than the requirements of C 3 . The rf signals from the different stages of the accelerating structure at different power levels are measured by the NG-LLRF, which will be critical references for the control algorithm designs. The NG-LLRF also offers flexibility in waveform modulation, so we have used rf pulses with various modulation schemes, which could be useful for controlling some of the rf stations in accelerators. In this paper, the high-power test results at different stages of the test setup will be summarized, analyzed, and discussed.

47 OTHER INSTRUMENTATION↗

A new method for solving the linearized 1D Vlasov–Poisson system yielding a new class of solutions

We describe a new method for solving the linearized 1D Vlasov–Poisson system by using properties of Cauchy-type integrals. Our method remedies critical flaws of the two standard methods, reveals a previously unrecognized Gaussian-in-time-like decay, and can also account for an externally applied electric field. The Landau approximation involves deforming the Bromwich contour around the poles closest to the real axis due to the analytically continued dielectric function, finding the long-time behavior for a stable system: Landau damping. Jackson's generalization encircles all poles while sending the contour to infinity, assuming its contribution vanishes, which is not true in general. This gives incorrect solutions for physically reasonable configurations and can exhibit pathological behavior, of which we show examples. The van Kampen method expresses the solution for a stable equilibrium as a continuous superposition of waves, resulting in an opaque integral. Case's generalization includes unstable systems and predicts a decaying discrete mode for each growing discrete mode, an apparent contradiction to both the Jackson solution and ours. We show, without imposing additional constraints, that the decaying modes are never present in the time evolution due to an exact cancellation with part of the continuum. Our solution is free of integral expressions, is obtained using algebra and Laurent series expansions, does not rely on analytic continuations, and results in a correct asymptotically convergent form in the case of infinite sums. The analysis used can be readily applied in higher-dimensional, electromagnetic systems and also provides a new technique for evaluating certain inverse Laplace transforms.

Physics↗

Post-extreme-event restoration using linear topological constraints and DER scheduling to enhance distribution system resilience

In this paper, a post-extreme-event restoration (PEER) algorithm is proposed to improve distribution system resilience. Linear topological constraints are proposed to ensure radial topology after N-k contingencies, possibly in multiple islands. The approach is made comprehensive by considering dispatchable distributed energy resources (DERs), non-dispatchable DERs, and demand responses, as well as on-load tap changers (OLTCs) and shunt capacitors. The goal is to minimize the accumulative expense caused by load reduction payment or penalty, as well as DER operation cost. As a result, the overall system will survive longer with higher resilience during an extreme event. To verify the effectiveness of the PEER algorithm, we proposed a resilience evaluation algorithm using Monte Carlo simulation (MCS) with reduced scenarios. This is based on a probabilistic model for generating random scenarios which consider the uncertainty of line faults and solar irradiance. Combined with the proposed PEER algorithm, this reduced-scenario MCS can evaluate the expected energy not served (EENS) which is an essential index for distribution system resilience. Case studies of the IEEE 33-bus and 123-bus test systems validate the proposed algorithm in reducing EENS.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Quantum computing for fusion energy science applications

This is a review of recent research exploring and extending present-day quantum computing capabilities for fusion energy science applications. We begin with a brief tutorial on both ideal and open quantum dynamics, universal quantum computation, and quantum algorithms. Then, we explore the topic of using quantum computers to simulate both linear and nonlinear dynamics in greater detail. Because quantum computers can only efficiently perform linear operations on the quantum state, it is challenging to perform nonlinear operations that are generically required to describe the nonlinear differential equations of interest. In this work, we extend previous results on embedding nonlinear systems within linear systems by explicitly deriving the connection between the Koopman evolution operator, the Perron–Frobenius evolution operator, and the Koopman–von Neumann evolution (KvN) operator. We also explicitly derive the connection between the Koopman and Carleman approaches to embedding. Extension of the KvN framework to the complex-analytic setting relevant to Carleman embedding, and the proof that different choices of complex analytic reproducing kernel Hilbert spaces depend on the choice of Hilbert space metric are covered in the appendixes. Finally, we conclude with a review of recent quantum hardware implementations of algorithms on present-day quantum hardware platforms that may one day be accelerated through Hamiltonian simulation. We discuss the simulation of toy models of wave–particle interactions through the simulation of quantum maps and of wave–wave interactions important in nonlinear plasma dynamics.

Joseph, I. (ORCID:0000000255400840)↗

Battery system management through non-linear estimation of battery state of charge

Systems, methods, and computer media for battery system management and non-linear estimation of battery state of charge are provided herein. Battery data is received for a time period over which a battery system has operated. The battery data represents the actual performance of the battery system over the time period. Sub-periods of charging or discharging can be identified in the time period. For the sub-periods of time, a curve can be fit to the battery data. Using the curves for the battery data for the sub-periods of time, an expected performance of the battery system, over a range of states-of-charge, can be determined. Operating instructions for the battery system can be provided based on the expected performance.

25 ENERGY STORAGE↗

Battery system management through non-linear estimation of battery state of charge

Systems, methods, and computer media for battery system management and non-linear estimation of battery state of charge are provided herein. Battery data is received for a time period over which a battery system has operated. The battery data represents the actual performance of the battery system over the time period. Sub-periods of charging or discharging can be identified in the time period. For the sub-periods of time, a curve can be fit to the battery data. Using the curves for the battery data for the sub-periods of time, an expected performance of the battery system, over a range of states-of-charge, can be determined. Operating instructions for the battery system can be provided based on the expected performance.

Crawford, Alasdair James↗

pnnl/grid_prediction

Two datadriven predictive approaches, namely, {\em Koopman Operator Theoretic (KOT)-based} model and {\em Graph Neural Network (GNN)-based model}, to enable effective power system state predictions. The KOT-based approaches (Robust DMD, deepDMD) capture the power system evolution as a linear dynamical system on an abstract space. The GNNs model the spatio-temporal correlations using graph convolutional network and are called Spatio-Temporal Graph Convolutional Network (STGCN). These predictive models are trained, tested and compared rigorously based on their predictions of frequencies in the IEEE 68 bus system when subjected to a disturbance. GridSTAGE framework developed at Pacific Northwest National Laboratory is leveraged to generate multiple datasets (in the form of PMU measurements) for training and testing by strategically creating load changes across the spatial locations of the network

Nandanoor, Sai Pushpak↗