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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 109 records · Page 6

The Dark Energy Spectrographic Instrument (DESI) Guide-Focus Assembly

The specific research of the DESI project is to study in detail the expansion history of the Universe over the past 10 billion years. In order to do this, the project designed, fabricated, tested and commissioned the DESI instrument which has been deployed at the Mayall Telescope at the Kitt Peak National Observatory near Tucson, Arizona. The DESI project was conducted by approximately 30 US and foreign national laboratories. Our CRADA with the The Institut de Física d’Altes Energies (IFAE) in Barcelona (Spain) involved both research planning for eventual observing on the DESI telescope; and in providing hardware jointly designed by LBNL and IFAE; ten guide and focus sensor systems (GFAs) that either provide feedback to the Mayall telescope tracking system or provide focus position information to the DESI corrector hexapod. The key major goals of this CRADA were achieved.For survey planning, Drs. Fernandez, Fosalba, Garcia-Bellido, and Gaztañaga were all important contributors to the working groups to which they were assigned. Their application of redshift techniques, development of simulations to support target selection, exploration of the use of alternative observables to extract cosmological information like AP and void statistics, and the use of PAU data to assist in the optimization of targeting selections have been vital in the early planning for targets during commissioning. The major role in the project involved Drs. Castander, Miquel, Padilla, and Sànchez. They were all directly involved with the development of the Guide-Focus Assembly (GFA) hardware, software and filter validation. In order to accomplish the goals of the DESI Project, the Mayall telescope must track DESI targeted galaxies for up to 15 minutes and the DESI corrector must be repositioned on its hexapod system for different telescope orientations. The guide and focus assemblies (GFA) provide in this information. There are ten GFA modules on the focal plane, six providing tracking information and four providing focus information. A common GFA design supports both functions by a simple switching of its operating mode. IFAE designed, fabricated, tested and delivered twelve GFAs. Once received at LBNL, the GFAs were integrated with the focal plane. This was an iterative process as the GFA’s were delivered as they were made. Our working relationship with the IFAE scientists and engineers was remarkable given the distance and time zone issues. The GFAs have performed extremely well during the commissioning phase of the instrument.

79 ASTRONOMY AND ASTROPHYSICS↗

Solid-state information pattern discriminating switch

A maze-based switch generally having three functional blocks is disclosed. The first functional block handles communications by accepting an entered maze pattern from an external system controller and outputting the entered maze pattern (and optionally its directional complement) to the second functional block. The second functional block stores the maze pattern (and optionally its directional complement) to a permanent storage element and outputs the stored, entered maze pattern and its directional complement to a series of transistors in the third functional block. The third functional block is an electronic maze in which a correct maze pattern and its directional complement must be received by the transistors for the transistors to pass electrical power through the electronic maze to a connected element. The third functional block may alternatively be implemented with optical elements, optoelectronic elements, microelectromechanical elements, or elements formed by other microsystem technologies.

Galambos, Paul C.↗

Oxygen-modulated quantum conductance for ultrathin HfO 2 -based memristive switching devices

Memristive switching devices, candidates for resistive random access memory technology, have been shown to switch off through a progression of states with quantized conductance and subsequent noninteger conductance (in terms of conductance quantum G 0 ). We have performed calculations based on density functional theory to model the switching process for a Pt-HfO 2 -Pt structure, involving the movement of one or two oxygen atoms. Oxygen atoms moving within a conductive oxygen vacancy filament act as tunneling barriers, and partition the filament into weakly coupled quantum wells. We show that the low-bias conductance decreases exponentially when one oxygen atom moves away from interface. In conclusion, our results demonstrate the high sensitivity of the device conductance to the position of oxygen atoms.

47 OTHER INSTRUMENTATION↗

A Unified Wireless Charger, On-Board Charger, and Auxiliary Power Module for Electric Vehicle Charging Systems

This paper proposes a unified electric vehicle (EV) charging architecture that integrates wireless power transfer (WPT), an on-board charger (OBC), and an auxiliary power module (APM) within a single architecture. By sharing a multi-functional magnetic structure and active switch bridges, the proposed topology eliminates additional transformers and converter stages, reducing hardware complexity and improving power density. A multipurpose magnetic design achieves magnetic decoupling among the WPT, OBC, and APM functions while maintaining the required coupling for each mode. Through electrical reconfiguration, the WPT operates as an LCC-S converter, whereas the OBC and APM operate as dual-active-bridge (DAB) converters. The system supports multiple operating modes, including simultaneous high-voltage and lowvoltage battery charging. Finite-element and circuit simulations verify the magnetic characteristics and system operation, demonstrating the feasibility of the proposed unified architecture for EV charging applications.

Jo, Cheolhui [ORNL] (ORCID:0000000322692434)↗

Reduced Switching Frequency Finite Control Set Model Predictive Control (FCS-MPC) for DFIG

An enhanced Finite Control Set Model Predictive Control (FCS-MPC) strategy with a two-step prediction horizon for a Doubly-Fed Induction Generator (DFIG) is the focus of this paper. The DFIG and RL filter's discrete-time model is used in the proposed control scheme for a two-step prediction horizon of rotor and filter currents for the converter's eight possible switching states. Afterward, the control algorithm selects the ideal switching state, which minimizes currents' objective function. The proposed control scheme does not require a modulation stage for internal controllers. We use Lagrange extrapolations to predict the dynamic changes in currents. The switching frequency reduction is achieved by integrating an optimization constraint in the algorithm's cost function. Furthermore, the Total Harmonic Distortion level of currents is kept below 5%, according to IEEE Std 519-14. Obtained results reveal that the switching frequency of the DFIG converters is considerably reduced without losing control; it is reduced by 13.89KHz for the Grid Side Converter (GSC) and by 1.78KHz for the Rotor Side Converter (RSC).

doubly-fed induction generator↗

Optimal Variable Switching Frequency Scheme to Reduce Loss of Single-Phase Grid-Connected Inverter With Unipolar and Bipolar PWM

Reducing the power loss of a converter without increasing its volume or cost in hardware has always been a much sought-after but challenging goal. This article proposes a comprehensive variable switching frequency (VSF) scheme to improve the overall system efficiency while still meeting a given total harmonic distortion (THD) requirement without any hardware changes, achieved only by changes to the controller. In this article, it is analyzed that for the H-bridge inverter, the inductor copper loss and the switch conduction loss are independent of the switching frequency (SF), while the device switching loss and the inductor core loss are functions of the SF. This article aims at weighting the combined switching loss and inductor core loss for both the unipolar and bipolar modulation techniques, with the constraint on the output THD, which, for fixed passive components, is a function of inductor ripple current that in turn depends on the SF. An optimal VSF scheme is devised through rigorous mathematical analysis of the output ripple component and the SF-dependent losses. In each switching cycle, the inductor ripple current is predicted with the circuit parameters, such as duty cycle, switching period, inductance, and dc voltage, and by implementing the VSF scheme, the current ripple is optimally varied such as to satisfy the THD requirement while reducing the SF-dependent losses. A generalized method to design VSF schemes for any topology and specifications is also presented, which would help future users in designing the VSF controller. A 1-kW H-bridge inverter using SiC MOSFETs and powdered iron/ferrite core has been built to validate the theoretical analysis. Both constant SF (CSF) scheme (200 kHz) and optimal VSF scheme with simple controller modification have been implemented in the experimental prototype using DSP TMS320f28335. Compared with the CSF scheme, the optimal VSF scheme shows a significant improvement in the system efficiency at rated power from 94.7%...

conduction loss↗

Staphylococcus aureus FtsZ and PBP4 bind to the conformationally dynamic N-terminal domain of GpsB

In the Firmicutes phylum, GpsB is a membrane associated protein that coordinates peptidoglycan synthesis with cell growth and division. Although GpsB has been studied in several bacteria, the structure, function, and interactome of Staphylococcus aureus GpsB is largely uncharacterized. To address this knowledge gap, we solved the crystal structure of the N-terminal domain of S. aureus GpsB, which adopts an atypical, asymmetric dimer, and demonstrates major conformational flexibility that can be mapped to a hinge region formed by a three-residue insertion exclusive to Staphylococci. When this three-residue insertion is excised, its thermal stability increases, and the mutant no longer produces a previously reported lethal phenotype when overexpressed in Bacillus subtilis. In S. aureus, we show that these hinge mutants are less functional and speculate that the conformational flexibility imparted by the hinge region may serve as a dynamic switch to fine-tune the function of the GpsB complex and/or to promote interaction with its various partners. Furthermore, we provide the first biochemical, biophysical, and crystallographic evidence that the N-terminal domain of GpsB binds not only PBP4, but also FtsZ, through a conserved recognition motif located on their C-termini, thus coupling peptidoglycan synthesis to cell division. Taken together, the unique structure of S. aureus GpsB and its direct interaction with FtsZ/PBP4 provide deeper insight into the central role of GpsB in S. aureus cell division.

59 BASIC BIOLOGICAL SCIENCES↗

Electrode Reactions in Slowly Relaxing Media

Here, standard models of reaction kinetics in condensed materials rely on the Boltzmann-Gibbs distribution for the population of reactants at the top of the free energy barrier separating them from the products. While energy dissipation and quantum effects at the barrier top can potentially affect the transmission coefficient entering the rate preexponential factor, much stronger dynamical effects on the reaction barrier are caused by the breakdown of ergodicity for populating the reaction barrier (violation of the Boltzmann-Gibbs statistics). When the spectrum of medium modes coupled to the reaction coordinate includes fluctuations slower than the reaction rate, such nuclear motions dynamically freeze on the reaction time-scale and do not contribute to the activation barrier. In this paper, we consider the consequences of this scenario for electrode reactions in slowly relaxing media. Changing electrode overpotential speeds electrode electron transfer up, potentially cutting through the spectrum of nuclear modes coupled to the reaction coordinate. The reorganization energy of electrochemical electron transfer becomes a function of the electrode overpotential, switching between the thermodynamic value at low rates to the nonergodic limit at higher rates. The sharpness of this transition depends of the relaxation spectrum of the medium. The reorganization energy experiences a sudden drop with increasing overpotential for a medium with a Debye relaxation, but becomes a much shallower function of the overpotential for media with stretched exponential dynamics. The latter scenario characterizes electron transfer in ionic liquids. The analysis of electrode reactions in room-temperature ionic liquids shows that the magnitude of the free energy of nuclear solvation is significantly below its thermodynamic limit. Finally, this result applies to reaction times faster than microseconds and is currently limited by the available dielectric relaxation data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Electronic switching by metastable polarization states in BiFe O 3 thin films

Here, we present an approach to control resistive switching in metal-ferroelectric contacts using a radially symmetric electric field. In ferroelectrics with significant polarization along the corresponding field lines, the field above a critical threshold will induce polarization discontinuity, a corresponding nanoscale volume of space charge, and a conducting junction. We demonstrate this principle using nanoscale polarization switching of a conventional (001)-oriented thin film of BiFeO 3 . Without any optimization, the conducting state created in this regime of resistive switching exhibits local currents of ~1–10nA, approaching the ~100nA threshold required for device implementation [J. Jiang et al., Nat. Mater. 17, 49 (2018)]. The corresponding electronic function is that of a volatile resistive switch, which is directly compatible with neuristor functionality that encodes the functioning basis of an axon [M. D. Pickett et al., Nat. Mater. 12, 114 (2013)]. Phase-field modeling further reveals that in the strongly charged local configuration, BiFeO 3 locally undergoes a rhombohedral-tetragonal (R-T) phase transition, in part due to substantial piezoelectric expansion of the lattice. The estimated local charge density can be as high as ~10 21 cm -3 , which would be extremely difficult to achieve by conventional doping approaches without altering other material properties. Therefore, this method for creating stable and reproducible strongly charged ferroelectric junctions enables more systematic studies of their physical properties, such as the possibility of structural and electronic phase transitions, and it can lead to new ferroelectric devices for advanced information functions.

36 MATERIALS SCIENCE↗

SD-WAN Evaluation Criteria for a Defense Information Systems Network Expeditionary Customer Edge

The Defense Information Systems Agency (DISA) has identified a service provision gap midway between the capacity and capability of a Defense Information Systems Network (DISN) transport Edge Points of Presence (POP) and U.S. Department of Defense (DoD) Enterprise Classified Travel Kit (DECTK). Some deployed force 100-user Tactical Operations Centers are in field locations far removed from the DISN transport core, in challenging environmental conditions with limitations on space, weight, power, and cooling for network equipment. As part of a multi-phase project, Pacific Northwest National Laboratory (PNNL) will gather and analyze requirements, design, develop, prototype, and test a miniaturized and ruggedized DISN Customer Edge POP scaled to support approximately 100 users in a field Tactical Operations Center. An Expeditionary Customer Edge (ECE) will be more suitable for field deployment than a DISN transport Edge POP, using ruggedized hardware and network function virtualization (NFV) to operate in challenging field environmental conditions, plus reduce weight, power, and cooling requirements. A key enabling technology for ECE is Software Defined Wide Area Networking (SD-WAN). This document provides: • A brief overview of SD-WAN use cases and how they apply to ECE • How SD-WAN technology compares to existing networks like DISN that use Optical Transport Networking (OTN) and Multiprotocol Label Switching (MPLS) • SD-WAN functional requirements relevant to ECE • A description of an ECE Virtual Prototype, including simulated wide area network paths and a DISN-representative implementation of MPLS, in Cisco Modeling Labs • Detailed network flow walkthroughs • Evaluation criteria based on ECE-relevant SD-WAN functional requirements Finally, an appendix provides an informal evaluation of Speedify—a commercial retail Virtual Private Network service—against the ECE SD-WAN evaluation criteria.

42 ENGINEERING↗

Quantitative and Predictive Genetic Parts for Plant Synthetic Biology

Plant synthetic biology aims to harness the natural abilities of plants and to turn them to new purposes. A primary goal of plant synthetic biology is to produce predictable and programmable genetic circuits from simple regulatory elements and well-characterized genetic components. The number of available DNA parts for plants is increasing, and the methods for rapid quantitative characterization are being developed, but the field of plant synthetic biology is still in its early stages. We here describe methods used to describe the quantitative properties of genetic components needed for plant synthetic biology. Once the quantitative properties and transfer function of a variety of genetic parts are known, computers can select the optimal components to assemble into functional devices, such as toggle switches and positive feedback circuits. However, while the variety of circuits and traits that can be put into plants are limitless, doing synthetic biology in plants poses unique challenges. Plants are composed of differentiated cells and tissues, each representing potentially unique regulatory or developmental contexts to introduced synthetic genetic circuits. Further, plants have evolved to be highly sensitive to environmental influences, such as light or temperature, any of which can affect the quantitative function of individual parts or whole circuits. Measuring the function of plant components within the context of a plant cell and, ideally, in a living plant, will be essential to using these components in gene circuits with predictable function. Mathematical modeling will be needed to account for the variety of contexts a genetic part will experience in different plant tissues or environments. With such understanding in hand, it may be possible to redesign plant traits to serve human and environmental needs.

59 BASIC BIOLOGICAL SCIENCES↗

Multi-layered heterochromatin interaction as a switch for DIM2-mediated DNA methylation

Functional crosstalk between DNA methylation, histone H3 lysine-9 trimethylation (H3K9me3) and heterochromatin protein 1 (HP1) is essential for proper heterochromatin assembly and genome stability. However, how repressive chromatin cues guide DNA methyltransferases for region-specific DNA methylation remains largely unknown. Here, we report structure-function characterizations of DNA methyltransferase Defective-In-Methylation-2 (DIM2) in Neurospora . The DNA methylation activity of DIM2 requires the presence of both H3K9me3 and HP1. Our structural study reveals a bipartite DIM2-HP1 interaction, leading to a disorder-to-order transition of the DIM2 target-recognition domain that is essential for substrate binding. Furthermore, the structure of DIM2-HP1-H3K9me3-DNA complex reveals a substrate-binding mechanism distinct from that for its mammalian orthologue DNMT1. In addition, the dual recognition of H3K9me3 peptide by the DIM2 RFTS and BAH1 domains allosterically impacts the DIM2-substrate binding, thereby controlling DIM2-mediated DNA methylation. Together, this study uncovers how multiple heterochromatin factors coordinately orchestrate an activity-switching mechanism for region-specific DNA methylation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Designing Glass and Crystalline Phases of Metal–Bis(acetamide) Networks to Promote High Optical Contrast

Owing to their high tunability and predictable structures, metal–organic materials offer a powerful platform to study glass formation and crystallization processes and to design glasses with unique properties. In this work, we report a novel series of glass-forming metal–ethylenebis(acetamide) networks that undergo reversible glass and crystallization transitions below 200 °C. The glass-transition temperatures, crystallization kinetics, and glass stability of these materials are readily tunable, either by synthetic modification or by liquid-phase blending, to form binary glasses. Pair distribution function (PDF) analysis reveals extended structural correlations in both single and binary metal–bis(acetamide) glasses and highlights the important role of metal–metal correlations during structural evolution across glass–crystal transitions. Notably, the glass and crystalline phases of a Co–ethylenebis(acetamide) binary network feature a large reflectivity contrast ratio of 4.8 that results from changes in the local coordination environment around Co centers. These results provide new insights into glass–crystal transitions in metal–organic materials and have exciting implications for optical switching, rewritable data storage, and functional glass ceramics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Convex Relaxations for Quadratic On/Off Constraints and Applications to Optimal Transmission Switching

This paper studies mixed-integer nonlinear programs featuring disjunctive constraints and trigonometric functions and presents a strengthened version of the convex quadratic relaxation of the optimal transmission switching problem. We first characterize the convex hull of univariate quadratic on/off constraints in the space of original variables using perspective functions. Next, we introduce new tight quadratic relaxations for trigonometric functions featuring variables with asymmetrical bounds. These results are used to further tighten recent convex relaxations introduced for the optimal transmission switching problem in power systems. Using the proposed improvements, along with bound propagation, on 23 medium-sized test cases in the PGLib benchmark library with a relaxation gap of more than 1%, we reduce the gap to less than 1% on five instances. The tightened model has promising computational results when compared with state-of-the-art formulations.

97 MATHEMATICS AND COMPUTING↗

Shifting Sands: Modulating Interactions and Outputs of the CHIP‐Hsp70/HOP‐Hsp70 Protein Quality Control Complexes

The 70‐kilodalton heat shock protein (Hsp70) interacts with tetratricopeptide repeat (TPR) domains of CHIP (C‐terminus of Hsp70 Interacting Protein) and HOP (Hsp Organizing Protein) using a two‐carboxylate clamp binding mechanism. Differential affinity for the TPR domains of CHIP and HOP are achieved through interactions with the six residues preceding the carboxy‐terminal Asp 641 of Hsp70. In particular, phosphorylation of Hsp70 Thr 636 produces a dramatic swing in binding affinities that shift preferential formation of CHIP/Hsp70 complexes to preferential formation of HOP/Hsp70 complexes. Given that CHIP‐Hsp70 complexes promote ubiquitin‐mediated degradation of Hsp70‐chaperoned clients while HOP‐Hsp70 complexes promote refolding of Hsp70‐chaperoned clients, phosphorylation of Hsp70 Thr 636 acts as a switch that directs the output and function of cellular protein quality control. Herein, through biophysical assays and new structures of CHIP‐Hsp70 and Hop‐Hsp70 we identify the molecular mechanism that enables phosphorylation‐driven switching that directs interactions within the CHIP‐Hsp70/HOP‐Hsp70 protein quality control complexes. We also present a structure‐guided mutation of Hsp70 that bypasses Thr 636 phosphorylation‐driven switching by recovering affinity of CHIP for phosphorylated Hsp70, thereby redirecting Hsp70 to preferentially bind to CHIP. This structure‐guided mutation corrects a binding defect present in wild type CHIP and provides a system for studying the effect of shifting output of the CHIP‐Hsp70/HOP‐Hsp70 protein quality control complexes toward chaperoned ubiquitination via the CHIP‐Hsp70 complex. Support or Funding Information The authors acknowledge financial support from the US National Science Foundation (Award No. MCB 1552113 to RCP), the American Heart Association (Award No. 16SDG26960000 to RCP), the Burroughs Wellcome Fund (Award No. 1014031 to RCP), and institutional support from Miami University through the Robert H. and Nancy J. Blayney Professorship (to RCP). The Advanced Light Source is supported by the US Department of Energy under contract number DE‐AC03‐76SF00098 at Lawrence Berkeley National Laboratory.

Page, Richard C.↗

Switching of Hybrid Improper Ferroelectricity in Oxide Double Perovskites

In ABO 3 -type perovskite oxides with Pnma symmetry, rotation (Q R+ , a 0 a 0 c + ) and tilt (Q T , a – a – c 0 ) of BO 6 octahedra are the two primary order parameters. These order parameters establish an inherent trilinear coupling with anti-ferroelectric A-site displacement (Q AFE ) to form the low-symmetry phase. The symmetry is further lowered in double perovskite oxides (DPOs) due to A/A' cation ordering. It in turn makes these systems polar via hybrid improper ferroelectric mechanism, primarily driven by Q R+ and Q T . Naturally, it has been believed that functionalities such as polarization can also be switched by tuning these primary order parameters. However, mystery around finding switching mechanism still remains. Our study based on density functional theory calculations combined with finite-temperature molecular dynamics simulations shows that the polarization switching is a two-step process, driven by out-of-phase rotation (Q R– , a 0 a 0 c – when Q T = 0 or, a – a – b – when Q T ≠ 0). A series of polar DPOs such as KLnFeOsO 6 [Ln = Sm, Gd, Dy, Tm (lanthanides) and Y (rare earth)], all belonging to P2 1 symmetry, are considered in this investigation. The polarization switching P ($\overrightarrow{P}$) occurs at a very high temperature of ~1150 K through a phase transition, from a polar (P2 1 ) phase with $\overrightarrow{P}$(+) to $\overrightarrow{P}$(-) via a non-polar P4/n phase. The switching itself is metastable in nature. The switching (both polarization and spin state) is only observed for a very short period of time (~23 ps) that poses limitation on using such a mechanism in memory device realization. We demonstrate a concurrent heating–cooling procedure to overcome such shortcoming. In conclusion, simulations conducted at 600 K further imply that long lasting switching can be achieved, at least for 1.2 ns for 600 K, and ideally for an infinite time, if the material is heated just above the T c followed by rapid cooling to a temperature below T c .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

In Situ Observation of Domain Wall Lateral Creeping in a Ferroelectric Capacitor

As a promising candidate for next-generation nonvolatile memory devices, ferroelectric oxide films exhibit many emergent phenomena with functional applications, making understanding polarization switching and domain evolution behaviors of fundamental importance. However, tracking domain wall motion in ferroelectric oxide films with high spatial resolution remains challenging. Here, in this study, an in situ biasing approach for direct atomic-scale observations of domain nucleation and sideways motion is presented. By accurately controlling the applied electric field, the lateral translational speed of the domain wall can decrease to less than 2.2 Å s −1 , which is observable with atomic resolution STEM imaging. In situ observations on a capacitor structured PbZr 0.1 Ti 0.9 O 3 /La 0.7 Sr 0.3 MnO 3 heterojunction demonstrate the unique creeping behavior of a domain wall under a critical electric field, with the atomic structure of the creeping domain wall revealed. Moreover, the evolution of the metastable domain wall forms an elongated morphology, which contains a large proportion of charged segments. Phase-field simulations unveil the competition between gradient, elastic, and electrostatic energies that decide this unique domain wall creeping and morphology variation. This work paves the way toward a complete fundamental understanding of domain wall physics and potential modulations of domain wall properties in real devices.

36 MATERIALS SCIENCE↗