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At least 847 records · Page 47

Saddle-point Van Hove singularity and dual topological state in Pt 2 HgSe 3

Saddle-point Van Hove singularities in the topological surface states are interesting because they can provide a new pathway for accessing exotic correlated phenomena in topological materials. Here, based on first-principles calculations combined with a k · p model Hamiltonian analysis, we show that the layered platinum mineral jacutingaite (Pt 2 HgSe 3 ) harbors saddlelike topological surface states with associated Van Hove singularities. Pt 2 HgSe 3 is shown to host two distinct types of nodal lines without spin-orbit coupling (SOC), which are protected by combined inversion ($\mathcal{I}$) and time-reversal ($\mathcal{T}$) symmetries. Switching on the SOC gaps out the nodal lines and drives the system into a topological state with nonzero weak topological invariant $Z_2$ = (0; 001) and mirror Chern number $n_M$ = –2. Surface states on the naturally cleaved (001) surface are found to be nontrivial with a unique saddlelike energy dispersion with type II Van Hove singularities. We also discuss how modulating the crystal structure can drive Pt 2 HgSe 3 into a Dirac semimetal state with a pair of Dirac points. In this work, our results indicate that Pt 2 HgSe 3 is an ideal candidate material for exploring the properties of topological insulators with saddlelike surface states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Leveraging Big Data Analysis Techniques for U.S. Vocational Vehicle Drive Cycle Characterization, Segmentation, and Development

Under a collaborative interagency agreement between the U.S. Environmental Protection Agency and the U.S. Department of Energy (DOE), the National Renewable Energy Laboratory (NREL) performed a series of in-depth analyses to characterize on-road driving behavior including distributions of vehicle speed, idle time, accelerations and decelerations, and other driving metrics of medium- and heavy-duty vocational vehicles operating within the United States. As part of this effort, NREL researchers segmented U.S. medium- and heavy-duty vocational vehicle driving characteristics into three distinct operating groups or clusters using real-world drive cycle data collected at 1 Hz and stored in NREL's Fleet DNA database. The Fleet DNA database contains millions of miles of historical drive cycle data captured from medium- and heavy-duty vehicles operating across the United States. The data encompass existing DOE activities as well as contributions from valued industry stakeholder participants. For this project, data captured from 913 unique vehicles comprising 16,250 days of operation were drawn from the Fleet DNA database and examined. The Fleet DNA data used as a source for this analysis has been collected from a total of 30 unique fleets/data providers operating across 22 unique geographic locations spread across the United States. This includes locations with topographies ranging from the foothills of Denver, Colorado, to the flats of Miami, Florida. This paper includes the results of the statistical analysis performed by NREL and a discussion and detailed summary of the development of the vocational drive cycle weights and representative transient drive cycles for testing and simulation. Additional discussion of known limitations and potential future work is also included.

33 ADVANCED PROPULSION SYSTEMS↗

Lyapunov-based nonlinear control of nonautonomous systems with individual input constraints

A control algorithm that can locally stabilize a specific class of multi-input multi-output nonautonomous nonlinear dynamical systems while satisfying individual input constraints is developed. The proposed Lyapunov-based state-feedback control law inherently accounts for the actuator amplitude saturation limits without the need for computationally expensive real-time optimization techniques. In addition to the control law, a formal definition for the local “controllable region” within which the controller can asymptotically drive the system states to the origin and satisfy the input saturation limits is also presented. The nonautonomous nature of the system dynamics implies that the “controllable region” continuously evolves with time. Therefore, a sufficient condition to maintain the system states within the “controllable region” is proposed in this work to make practical implementation feasible. The effectiveness of the controller is tested for a specific control problem arising in tokamaks, which are toroidal devices that use strong magnetic fields to confine a plasma (hot ionized gas). Here, the primary emphasis of tokamak research is to regulate the plasma properties around predetermined values to achieve stable plasma confinement. Nonlinear simulations show that the proposed controller can achieve the desired plasma control objectives in a DIII-D tokamak scenario.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Optimal Power Flow Pursuit

Past works that focused on addressing power-quality and reliability concerns related to renewable energy resources (RESs) operating with business-as-usual practices have looked at the design of Volt/VAr and Volt/Watt strategies to regulate real or reactive powers based on local voltage measurements, so that terminal voltages are within acceptable levels. These control strategies have the potential of operating at the same time scale of distribution-system dynamics, and can therefore mitigate disturbances precipitated fast time-varying loads and ambient conditions; however, they do not necessarily guarantee system-level optimality, and stability claims are mainly based on empirical evidences. On a different time scale, centralized and distributed optimal power flow (OPF) algorithms have been proposed to compute optimal steady-state inverter setpoints, so that power losses and voltage deviations are minimized and economic benefits to end-users providing ancillary services are maximized. However, traditional OPF schemes may offer decision making capabilities that do not match the dynamics of distribution systems. Particularly, during the time required to collect data from all the nodes of the network (e.g., loads), solve the OPF, and subsequently dispatch setpoints, the underlying load, ambient, and network conditions may have already changed; in this case, the DER output powers would be consistently regulated around outdated setpoints, leading to suboptimal system operation and violation of relevant electrical limits. The present work focuses on the synthesis of distributed RES-inverter controllers that leverage the opportunities for fast feedback offered by power-electronics interfaced RESs. The overarching objective is to bridge the temporal gap between long-term system optimization and real-time control, to enable seamless RES integration in large scale with stability and efficiency guarantees, while congruently pursuing system-level optimization objectives. The design of the control framework is based on suitable linear approximations of the AC power-flow equations as well as Lagrangian regularization methods. The proposed controllers enable an update of the power outputs at a time scale that is compatible with the underlying dynamics of loads and ambient conditions, and continuously drive the system operation towards OPF-based solutions.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Fuel Cell Electric Vehicle Durability and Fuel Cell Performance

The objectives of this project are to validate hydrogen fuel cell electric vehicles (FCEVs) in real-world settings and to identify the current status and evolution of the technology. The analysis objectively assesses progress toward targets and market needs defined by the U.S. Department of Energy and stakeholders, provides feedback to hydrogen research and development, and publishes results for key stakeholder use and investment decisions. Fiscal year 2018 objectives focus on analysis and reporting of FCEV driving range, fuel economy, drive and fill behaviors, durability, fill performance, and fuel cell performance. This report specifically addresses the topics of fuel cell stack durability and fuel cell performance.

33 ADVANCED PROPULSION SYSTEMS↗

Boosting Thermal Management & Reliability of Vehicle Power Electronics

Electric vehicles rely heavily on power electronics—including inverters, converters, and chargers—to control the flow of electricity between the battery, the motor, and other powertrain components. NREL is helping boost the performance of power electronics components and systems, while driving down size, weight, and cost. In electric vehicles, these components need to operate at higher temperatures, voltages, switching frequencies, and power conversion efficiencies. That’s where NREL’s thermal management and reliability research comes in.

33 ADVANCED PROPULSION SYSTEMS↗

Cyber-Resilient Frequency Control of Power Grids with Energy Storage Systems

The integration of synchronous generators and energy storage systems operated through communication networks introduces new challenges and vulnerabilities to the electric grid, where cyber attacks can corrupt sensor measurements or control inputs and interrupt functions such as frequency regulation. This paper proposes a defense methodology for the design of resilient operating constraints imposed on each generation and storage unit in order to prevent any attack sequence from driving the system's frequency to unsafe conditions. The resilient operating constraints are found by using ellipsoidal approximations of the reachable set of the power system, leading to a convex optimization problem with linear matrix inequalities. Numerical results in a single-area power system with synchronous generation and energy storage demonstrate how the resilient constraints provide security guarantees against any type of attack affecting frequency measurements or controller setpoints.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Ultrafast X-Ray Absorption Spectroscopy of Strongly Correlated Systems: Core Hole Effect

Recently, ultrafast pump-probe spectroscopy has provided insightful information about the nonequilibrium dynamics of excitations in materials. In a typical experiment of time-resolved x-ray absorption spectroscopy, the systems are excited by a femtosecond laser pulse (pump pulse) followed by an x-ray probe pulse after a time delay to measure the absorption spectra of the photoexcited systems. We present a theory for nonequilibrium x-ray absorption spectroscopy in one-dimensional strongly correlated systems. The core hole created by the x ray is modeled as an additional effective potential of the core hole site, which changes the spectrum qualitatively. In equilibrium, the spectrum reveals the charge gap at half-filling and the metal-insulator transition in the presence of the core hole effect. Moreover, a pump-probe scheme is introduced to drive the system out of equilibrium before the x-ray probe. The effects of the pump pulse with varying frequencies, shapes, and fluences are discussed for the dynamics of strongly correlated systems in and out of resonance. The spectrum suggests that the driven insulating state has a metallic droplet around the core hole. The rich structures of the nonequilibrium x-ray absorption spectrum give more insight into the dynamics of electronic structures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

An Initial Assessment of the Impact of System Spectral Response Parameters on Driving Ocean Color Applications for the GeoXO Ocean Color Instrument (OCX)

NOAA’s Geostationary Extended Observations (GeoXO) program is planning to include a hyperspectral ocean color instrument (OCX) in geostationary orbit slated for operations by the early 2030s. Shared international focus has led to a diverse legacy of space-based remote sensing ocean color missions that have and will continue to provide ocean color products into the future at a variety of spatial, temporal, and spectral resolutions. This work reports on an investigation of the impacts of system spectral response parameters on spectral shape and algal bloom detection for the planned OCX instrument. A dataset of high resolution (1 nm spectral sampling) in-situ spectra of red tide collected with an above water spectrometer, and associated K. brevis cell concentrations, were used to simulate OCX observations of varying system spectral response parameters. The OCX Performance Operational Requirements Document (PORD) level spectral resolution and sampling are varied concurrently and the location of band centers is varied independently. The impacts to the spectral shape using hyperspectral signature analysis, as well as the impacts to two heritage multispectral algal bloom detection algorithms – red band difference (RBD) and Karenia brevis bloom index (KBBI) – are assessed considering both changes in resolution/sampling and band center location. This work provides a quantitative assessment of the impacts of system spectral response requirements on both the spectral shape of observations as well as the algal bloom detection to provide insight on how various instrument performance parameters influence science and operational utility of OCX. Future work will seek to expand this analysis to include a larger dataset that considers additional water cases.

Monica Cook↗

An Initial Assessment of the Impact of System Spectral Response Parameters on Driving Ocean Color Applications for the GeoXO Ocean Color Instrument (OCX)

NOAA’s Geostationary Extended Observations (GeoXO) program is planning to include a hyperspectral ocean color instrument (OCX) in geostationary orbit slated for operations by the early 2030s. Shared international focus has led to a diverse legacy of space-based remote sensing ocean color missions that have and will continue to provide ocean color products into the future at a variety of spatial, temporal, and spectral resolutions. This work reports on an investigation of the impacts of system spectral response parameters on spectral shape and algal bloom detection for the planned OCX instrument. A dataset of high resolution (1 nm spectral sampling) in-situ spectra of red tide collected with an above water spectrometer, and associated K. brevis cell concentrations, were used to simulate OCX observations of varying system spectral response parameters. The OCX Performance Operational Requirements Document (PORD) level spectral resolution and sampling are varied concurrently and the location of band centers is varied independently. The impacts to the spectral shape using hyperspectral signature analysis, as well as the impacts to two heritage multispectral algal bloom detection algorithms – red band difference (RBD) and Karenia brevis bloom index (KBBI) – are assessed considering both changes in resolution/sampling and band center location. This work provides a quantitative assessment of the impacts of system spectral response requirements on both the spectral shape of observations as well as the algal bloom detection to provide insight on how various instrument performance parameters influence science and operational utility of OCX. Future work will seek to expand this analysis to include a larger dataset that considers additional water cases.

M. Cook↗

Experimental realization of classical Z 2 spin liquids in a programmable quantum device

We build and probe a Z 2 spin liquid in a programmable quantum device, the D-Wave DW-2000Q. Specifically, we observe the classical eight-vertex and six-vertex (spin ice) states and transitions between them. To realize this state of matter, we design a Hamiltonian with combinatorial gauge symmetry using only pairwise-qubit interactions and a transverse field, i.e., interactions which are accessible in this quantum device. The combinatorial gauge symmetry remains exact along the full quantum annealing path, landing the system onto the classical eight-vertex model at the endpoint of the path. The output configurations from the device allow us to directly observe the loop structure of the classical model. Moreover, we deform the Hamiltonian so as to vary the weights of the eight vertices and show that we can selectively attain the classical six-vertex (ice) model, or drive the system into a ferromagnetic state. Additionally, we present studies of the classical phase diagram of the system as a function of the eight-vertex deformations and effective temperature, which we control by varying the relative strengths of the programmable couplings, and we show that the experimental results are consistent with theoretical analysis. Finally, we identify additional capabilities that, if added to these devices, would allow us to realize Z 2 quantum spin liquids on which to build topological qubits.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Electron–Hole Dimers in the Parent Phase of Quasi–2D Cuprates

The key feature of parent cuprates of the La{sub 2}CuO{sub 4} type, in addition to their high ionic polarizability and closeness to polarization catastrophe, is identified as their instability against charge transfer that is accompanied by the formation of a system of metastable dipole-active Mott–Hubbard excitons, i.e., electron–hole (EH) dimers. This feature determines the behavior of cuprates upon nonisovalent substitution. Within the simplest model equivalent to a system of composite bosons, nonisovalent substitution shifts the phase equilibrium toward condensation of EH dimers and the formation of inhomogeneous EH liquid. To describe the electronic state of doped cuprates effectively, we propose to use the pseudospin S = 1 formalism. It enables us to treat cardinally new charged states such as Anderson’s RVB phases. Recombination of EH dimers at a critically low energy of local and nonlocal correlations drives the system into the state of a Fermi liquid.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Structural inference of networked dynamical systems with universal differential equations

Networked dynamical systems are common throughout science in engineering; e.g., biological networks, reaction networks, power systems, and the like. For many such systems, nonlinearity drives populations of identical (or near-identical) units to exhibit a wide range of nontrivial behaviors, such as the emergence of coherent structures (e.g., waves and patterns) or otherwise notable dynamics (e.g., synchrony and chaos). Here, we seek to infer (i) the intrinsic physics of a base unit of a population, (ii) the underlying graphical structure shared between units, and (iii) the coupling physics of a given networked dynamical system given observations of nodal states. These tasks are formulated around the notion of the Universal Differential Equation, whereby unknown dynamical systems can be approximated with neural networks, mathematical terms known a priori (albeit with unknown parameterizations), or combinations of the two. We demonstrate the value of these inference tasks by investigating not only future state predictions but also the inference of system behavior on varied network topologies. The effectiveness and utility of these methods are shown with their application to canonical networked nonlinear coupled oscillators.

97 MATHEMATICS AND COMPUTING↗

Sliding dynamics of skyrmion molecular crystals

Using both atomistic and particle-based simulations, we investigate the current-driven dynamics of skyrmions on two-dimensional periodic substrates when there are multiple skyrmions per substrate minimum. At zero drive, the system forms pinned skyrmion molecular crystal states consisting of dimers, trimers, or dimer-trimer mixtures that have both positional and orientational order. On a square substrate lattice, the motion above depinning occurs via a running soliton that travels completely transverse to the applied current. This motion is generated by a torque from the Magnus force, which rotates the n-mer states perpendicular to the applied current. At higher drives, the flow becomes disordered while the Hall angle diminishes and gradually approaches the intrinsic value. In some cases, we also find directional locking where the Hall angle becomes locked to certain symmetry directions of the substrate over a range of currents. The transitions into and out of directionally locked states are accompanied by negative differential mobility in which the net velocity decreases as the drive increases. In conclusion, on a triangular substrate, we find no transverse mobility effects, but still observe directionally locked motion.

36 MATERIALS SCIENCE↗

Hybrid Energy Management with Real-Time Control of a High-Power EV Charging Site

Decarbonization of transportation systems is driving higher capacity energy storage and faster charging power requirements in electric vehicles (EVs). Given the potential advantages - such as increased efficiency, reduced inverter capacity, and less total cable mass - there is a demand in the industry for more DC distribution for high-power charging (HPC) hubs. However, the cost-effective, adaptive, and robust operation of the DC-coupled HPC hub necessitates a robust site energy management system (SEMS). Validating SEMS operation using a digital twin of an HPC hub in a real-time simulator (RTS) platform is crucial before field deployment. In this study, we propose a hybrid energy management site controller designed to achieve high-level, long-term operational objectives while managing low-level power sharing control between hub assets. We develop a centralized model predictive controller (MPC) to optimize hub operating points and use these points to update the droop parameters of the site energy storage system (ESS). This approach ensures the hub follows an optimal operating point while maintaining the flexibility to respond to load surges. We tested and verified our proposed approach both offline and on a Controller Hardware-in-the-loop (C-HIL) simulation platform integrated with a SEMS framework, demonstrating real-time site operation and validating a cost-effective and robust site controller.

ADVANCED PROPULSION SYSTEMS↗

Effects of Pseudostreamer Boundary Dynamics on Heliospheric Field and Wind

Interchange reconnection has been proposed as a mechanism for the generation of the slow solar wind, and a key contributor to determining its characteristic qualities. In this paper we study the implications of interchange reconnection for the structure of the plasma and field in the heliosphere. We use the Adaptively Refined Magnetohydrodynamic Solver (ARMS) to simulate the coronal magnetic evolution in a coronal topology containing both a pseudostreamer and helmet streamer. We begin with a geometry containing a low-latitude coronal hole that is separated from the main polar coronal hole by a pseudostreamer. We drive the system by imposing rotating flows at the Solar surface within and around the low-latitude coronal hole, which leads to a corrugation (at low altitudes) of the separatrix surfaces that separate open from closed magnetic flux. Interchange reconnection is induced both at the null points and separators of the pseudostreamer, and at the global helmet streamer. Wedemonstrate that a preferential occurrence of interchange reconnection in the “lanes” between our driving cells leads to a filamentary pattern of newly-opened flux in the heliosphere. These flux bundles connect to but extend far from the separatrix-web (S-Web) arcs at the source surface. We propose that the pattern of granular and supergranular flows on the photosphere should leave an observable imprint in the heliosphere.

V Aslanyan↗

Fuzzy efficiency optimization of AC induction motors

This paper describes the early states of work to implement a fuzzy logic controller to optimize the efficiency of AC induction motor/adjustable speed drive (ASD) systems running at less than optimal speed and torque conditions. In this paper, the process by which the membership functions of the controller were tuned is discussed and a controller which operates on frequency as well as voltage is proposed. The membership functions for this dual-variable controller are sketched. Additional topics include an approach for fuzzy logic to motor current control which can be used with vector-controlled drives. Incorporation of a fuzzy controller as an application-specific integrated circuit (ASIC) microchip is planned.

Jani, Yashvant↗

Entropy is an important design principle in the photosystem II supercomplex

Photosystem II (PSII) can achieve near-unity quantum efficiency of light harvesting in ideal conditions and can dissipate excess light energy as heat to prevent the formation of reactive oxygen species (ROS) under light stress. Understanding how this pigment–protein complex accomplishes these opposing goals is a topic of great interest that has so far been explored primarily through the lens of the system energetics. Despite PSII’s known flat energy landscape, a thorough consideration of the entropic effects on energy transfer in PSII is lacking. In this work, we aim to discern the free energetic design principles underlying the PSII energy transfer network. To accomplish this goal, we employ a structure-based rate matrix and compute the free energy terms in time following a specific initial excitation to discern how entropy and enthalpy drive ensemble system dynamics. We find that the interplay between the entropy and enthalpy components differ among each protein subunit, which allows each subunit to fulfill a unique role in the energy transfer network. This individuality ensures that PSII can accomplish efficient energy trapping in the reaction center (RC), effective nonphotochemical quenching (NPQ) in the periphery, and robust energy trapping in the other-monomer RC if the same-monomer RC is closed. We also show that entropy, in particular, is a dynamically tunable feature of the PSII free energy landscape accomplished through regulation of LHCII binding. These findings help rationalize natural photosynthesis and provide design principles for more efficient solar energy harvesting technologies.

59 BASIC BIOLOGICAL SCIENCES↗