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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 973 records · Page 54

Supercooled liquid sulfur maintained in three-dimensional current collector for high-performance Li-S batteries

In lithium-sulfur (Li-S) chemistry, the electrically/ionically insulating nature of sulfur and Li 2 S leads to sluggish electron/ion transfer kinetics for sulfur species conversion. Sulfur and Li 2 S are recognized as solid at room temperature, and solid-liquid phase transitions are the limiting steps in Li-S batteries. Here, we visualize the distinct sulfur growth behaviors on Al, carbon, Ni current collectors and demonstrate that (i) liquid sulfur generated on Ni provides higher reversible capacity, faster kinetics, and better cycling life compared to solid sulfur; and (ii) Ni facilitates the phase transition (e.g., Li 2 S decomposition). Accordingly, light-weight, 3D Ni-based current collector is designed to control the deposition and catalytic conversion of sulfur species toward high-performance Li-S batteries. This work provides insights on the critical role of the current collector in determining the physical state of sulfur and elucidates the correlation between sulfur state and battery performance, which will advance electrode designs in high-energy Li-S batteries.

25 ENERGY STORAGE↗

An Adaptive Newton-Based Free-Boundary Grad–Shafranov Solver

Equilibria in magnetic confinement devices result from force balancing between the Lorentz force and the plasma pressure gradient. In an axisymmetric configuration like a tokamak, such an equilibrium is described by an elliptic equation for the poloidal magnetic flux, commonly known as the Grad–Shafranov equation. It is challenging to develop a scalable and accurate free-boundary Grad–Shafranov solver, since it is a fully nonlinear optimization problem that simultaneously solves for the magnetic field coil current outside the plasma to control the plasma shape. In this work, we develop a Newton-based free-boundary Grad–Shafranov solver using adaptive finite elements and preconditioning strategies. The free-boundary interaction leads to the evaluation of a domain-dependent nonlinear form of which its contribution to the Jacobian matrix is achieved through shape calculus. The optimization problem aims to minimize the distance between the plasma boundary and specified control points while satisfying two nontrivial constraints, which correspond to the nonlinear finite element discretization of the Grad–Shafranov equation and a constraint on the total plasma current involving a nonlocal coupling term. The linear system is solved by a block factorization, and AMG is called for subblock elliptic operators. The unique contributions of this work include the treatment of a global constraint, preconditioning strategies, nonlocal reformulation, and the implementation of adaptive finite elements. Furthermore, it is found that the resulting Newton solver is robust, successfully reducing the nonlinear residual to 1e-6 and lower in a small handful of iterations while addressing the challenging case to find a Taylor state equilibrium where conventional Picard-based solvers fail to converge.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Illustration of VERA Capabilities to Model a Typical iPWR SMR

Small modular reactors (SMRs) are being considered by the commercial nuclear power industry as an option for more distributed generation and for replacement of older fossil fuel generating facilities. SMRs are more compact than operating pressurized water reactors (PWRs), producing about 200 MWe as compared to 1000 MWe or higher for their full-sized cousins, and are offered as “expandable” units; that is, their modular design allows the utility to add more units progressively at the same site. In Summer 2014, CASL reported on a progression of demonstrations illustrating VERA’s ability to simulate a typical SMR of the iPWR type, while developing a simple core cycle design for cycle economic studies. The work included development of fuel assembly lattices, 3D single assembly and full core (quarter symmetry) simulations of the proposed core cycle design using the CASL Virtual Environment for Reactor Applications (VERA). The report concluded that it would be difficult for the SMR to operate for the target 1400 EFPD cycle length and that the fuel cost would be on the order of 50% higher as compared with a PWR. Unfortunately, the Reference 4 core cycle design did not include control component management. The iPWR is intended to be operated using the control rods for reactivity control, as opposed to using soluble boron (like most currently operating PWRs), and the introduction of the control rods is expected to affect the length of the cycle. Therefore, this work continues the previous CASL demonstration of VERA capability to simulate a typical iPWR core, including the development of a control component management strategy using the Reference 4 core design and utilizing the soon-to-be released VERA3.3 tools. Note that this study is not intended as a validation study; rather it is merely an illustration of VERA’s capabilities to simulate a typical iPWR. Simulations included two variations on control rod banks – a two-bank scheme and a ten-bank scheme. Both schemes were modelled using the VERA Common Input, and more than six iterations on each control rod scheme were simulated to arrive at a combination of rod banks and insertion depths that provided a core reactivity near the target k eff of 1.000 ± 0.001 (more than 50 cases run) over two calendar months. In particular, VERA was used to determine the hot excess reactivity for the core design with all rods out (ARO), and then iterative simulations with the rod banks inserted to determine the critical control rod bank positions were completed. VERA options to simplify the process were exercised as possible, particularly restart functionality, coupled thermal-hydraulics using the internal T-H solver, xenon, and depletion capability. The fuel shuffling functionality was not exercised, since the iPWR SMR features a once-through cycle. The VERA method of characteristics (MOC) neutronics subcomponent was used to predict power and reactivity with control rod maneuvering, both with and without thermal-hydraulic feedback. The problem was scaled from 35 CPU cores to 3815, effectively demonstrating the solution time with respect to computing capacity. Computer clusters at Oak Ridge National Laboratory, Idaho National Laboratory and Tennessee Valley Authority were used. These studies provide an additional illustration of the application of VERA to a typical iPWR SMR. Reference 4 previously demonstrated that the codes could handle the differences in geometry for the iPWR, and this study expanded the illustration to include control rod management. Further, the work illustrates the need for in-depth simulations to support effective control rod maneuvering for an iPWR and highlights the need for control rod reactivity search capability within VERA. Additionally, the development of a control rod bank reactivity search capability will be extremely useful for not only this application, but also for BWRs as CASL develops BWR capability in Phase 2.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Nonvolatile Electric Field Control of Thermal Magnons in the Absence of an Applied Magnetic Field

Spin transport through magnetic insulators has been demonstrated in a variety of materials and is an emerging pathway for next-generation spin-based computing. To modulate spin transport in these systems, one typically applies a sufficiently strong magnetic field to allow for deterministic control of magnetic order. Here, we make use of the well-known multiferroic magnetoelectric, BiFeO 3 , to demonstrate nonvolatile, hysteretic, electric-field control of thermally excited magnon current in the absence of an applied magnetic field. The findings in this work are an important step toward magnon-based devices, where electric-field-only control is highly desirable.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A reliable control system for measurement on film thickness in copper chemical mechanical planarization system

In recent years, a variety of film thickness measurement techniques for copper chemical mechanical planarization (CMP) are subsequently proposed. In this paper, the eddy-current technique is used. In the control system of the CMP tool developed in the State Key Laboratory of Tribology, there are in situ module and off-line module for measurement subsystem. The in situ module can get the thickness of copper film on wafer surface in real time, and accurately judge when the CMP process should stop. This is called end-point detection. The off-line module is used for multi-points measurement after CMP process, in order to know the thickness of remained copper film. The whole control system is structured with two levels, and the physical connection between the upper and the lower is achieved by the industrial Ethernet. The process flow includes calibration and measurement, and there are different algorithms for two modules. In the process of software development, C++ is chosen as the programming language, in combination with Qt OpenSource to design two modules’ GUI and OPC technology to implement the communication between the two levels. In addition, the drawing function is developed relying on Matlab, enriching the software functions of the off-line module. The result shows that the control system is running stably after repeated tests and practical operations for a long time.

42 ENGINEERING↗

Device, system, and method for measuring internal impedance of a test battery using frequency response

Battery impedance testing devices, circuits, systems, and related methods are disclosed. An impedance measurement device includes a current driver configured to generate an excitation current signal to be applied to a test battery responsive to a control signal, and a processor operably coupled with the current driver. The processor is configured to generate the control signal during an auto-ranging mode and a measuring mode. The auto-ranging mode applies the excitation current signal to the test battery over a plurality of different amplitudes to measure a response to the excitation current signal at each amplitude. The measuring mode applies the excitation current signal to the test battery for an amplitude responsive to the results of the auto-ranging mode. Improved sensitivity and resolution may be achieved for low impedance batteries with a rapid measurement time.

25 ENERGY STORAGE↗

ON-LINE MONITORING FOR PROCESS CONTROL AND SAFEGUARDING OF RADIOCHEMICAL STREAMS AT SPENT FUEL REPROCESSING PLANTS

The International Atomic Energy Agency (IAEA) has established international safeguards standards for fissionable material at spent nuclear fuel reprocessing plants to ensure that significant quantities of weapons-grade nuclear material are not diverted from these facilities. Currently, methods to verify material control and accountancy (MC&A) at these facilities require time-consuming and resource-intensive destructive assay (DA). Leveraging new on-line non-destructive assay (NDA) techniques in conjunction with the traditional and highly precise DA methods may provide a more timely, cost-effective and resource-efficient means for MC&A verification at such facilities. Pacific Northwest National Laboratory (PNNL) is developing on-line NDA process monitoring technologies, including a spectroscopy-based monitoring system, to potentially reduce the time and resource burden associated with current techniques. The spectroscopic monitor continuously measures chemical compositions of the process streams including actinide metal ions (U, Pu, Np), selected fission products, and major non-radioactive flowsheet chemicals using UV-vis-near infrared and Raman spectroscopy. This paper provides an overview of the methods and reports our on-going efforts to develop and demonstrate the technologies. Our ability to identify material intentionally diverted from a liquid-liquid extraction contactor system was successfully tested using on-line process monitoring as a means to detect the amount of material diverted. A chemical diversion and detection of that diversion, from a solvent extraction scheme was demonstrated using a centrifugal contactor system operating a tributyl phosphate based extraction. A portion of the feed from a counter-current extraction system was diverted while a continuous extraction experiment was underway; the spectroscopic on-line process monitoring system was simultaneously measuring the feed, raffinate and organic products streams. The amount observed to be diverted by on-line spectroscopic process monitoring was in excellent agreement with values based from the known mass of sample directly diverted from system feed solution.

Np↗

Epitaxial Metal Electrodeposition Controlled by Graphene Layer Thickness

Control over material structure and morphology during electrodeposition is necessary for material synthesis and energy applications. One approach to guide crystallite formation is to take advantage of epitaxy on a current collector to facilitate crystallographic control. Single-layer graphene on metal foils can promote “remote epitaxy” during Cu and Zn electrodeposition, resulting in growth of metal that is crystallographically aligned to the substrate beneath graphene. However, the substrate–graphene–deposit interactions that allow for epitaxial electrodeposition are not well understood. Here, we investigate how different graphene layer thicknesses (monolayer, bilayer, trilayer, and graphite) influence the electrodeposition of Zn and Cu. Scanning transmission electron microscopy and electron backscatter diffraction are leveraged to understand metal morphology and structure, demonstrating that remote epitaxy occurs on mono- and bilayer graphene but not trilayer or thicker. Density functional theory (DFT) simulations reveal the spatial electronic interactions through thin graphene that promote remote epitaxy. This work advances our understanding of electrochemical remote epitaxy and provides strategies for improving control over electrodeposition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Direct density modulation of photo-assisted field emission from an RF cold cathode

This paper explores direct density modulation of high-current electron beam emission from an RF cold cathode using optical excitation. We theoretically study the photo-assisted field emission of periodically bunched electron beams of various pulse shapes under the combined excitation of an RF field and an optical field, using an exact quantum model. Both continuous-wave (CW) and pulsed optical fields are considered. The emission current pulse amplitude, pulse width, electron number density per pulse, as well as pulse shape and its harmonic contents are investigated in detail. For CW photon sources in the UV to NIR range (i.e., 200–1200 nm), increasing the optical intensity under an RF bias tends to change the current pulse from a Gaussian to sinusoidal-like shape, thus offering strong flexibility to control the frequency components in beam current emission. Pulsed photon sources combined with an RF field can produce sharp, high-current electron bunches with pulse duration comparable with or even less than that of the optical pulse. A contour map of the density modulation depth is constructed for different combinations of RF and laser fields. The results provide insight into unlocking new opportunities to achieve direct density modulation during electron current emission by optical means.

Physics↗

Shape-persistent ladder molecules exhibit nanogap-independent conductance in single-molecule junctions

Molecular electronic devices require precise control over the flow of current in single molecules. However, the electron transport properties of single molecules critically depend on dynamic molecular conformations in nanoscale junctions. Here, in this work, we report a unique strategy for controlling molecular conductance using shape-persistent molecules. Chemically diverse, charged ladder molecules, synthesized via a one-pot multicomponent ladderization strategy, show a molecular conductance (d[log( G/G 0 )]/d x ≈ -0.1 nm -1 ) that is nearly independent of junction displacement, in stark contrast to the nanogap-dependent conductance (d[log( G/G 0 )]/d x ≈ -7 nm -1 ) observed for non-ladder analogues. Ladder molecules show an unusually narrow distribution of molecular conductance during dynamic junction displacement, which is attributed to the shape-persistent backbone and restricted rotation of terminal anchor groups. These principles are further extended to a butterfly-like molecule, thereby demonstrating the strategy's generality for achieving gap-independent conductance. Overall, our work provides important avenues for controlling molecular conductance using shape-persistent molecules. Achieving robust and controllable conductance in single-molecule junctions is challenging due to the dynamic nature of molecular conformations that fluctuate over operational timescales. A strategy using shape-persistent molecules has now been developed that demonstrates nearly junction-displacement-independent conductance, providing a stable solution for single-molecule electronic properties.

molecular electronics↗

Autonomous Controls For Reactor Technologies (acorn)

ACORN (Autonomous Controls fOr Reactor techNologies) software utilizes data, obtained from an experimental test bed and/or simulation, to implement a control command for microreactor operation. Command examples include a change to the temperature profile, power profiles, heat fluxes, etc. The control command recommended by the code is derived based on future predicted states of a microreactor, allowing proactive optimal and autonomous microreactor operation. The software is written in Python languages. The current software supports autonomous temperature controls of heat pipe simulator and autonomous heat flux controls of a 37 heat pipe non-nuclear testbed simulator (or its surrogate models).

Lin, Linyu [Idaho National Laboratory (INL), Idaho↗

Hybrid Data-Driven Based HVdc Ancillary Control for Multiple Frequency Data Attacks

The high voltage direct current (HVdc) intertie has been applied to provide ancillary-services for ac grids, utilizing the real-time feedback from phasor measurement units (PMUs). However, PMU data communication is vulnerable to false data injection attacks (FDIA) due to protocol defects, thus the HVdc ancillary control and system stability will be threatened. To address this issue, this article proposes a novel HVdc control strategy based on a hybrid data-driven (HDD) methodology. In this work, the HDD methodology is first proposed to detect the types and duration time of multiple frequency attacks. Specifically, the Hilbert Huang transform (HHT) is used to decompose the frequency data, using variational mode decomposition instead of the traditional empirical mode decomposition, to extract data features. Second, a multikernel support vector machine is proposed to classify the attacked data based on the designed distinctive features from HHT. Meanwhile, the attacking duration time is decided using an unsupervised technique. Third, an HDD-based HVdc ancillary control strategy is established to eliminate the effect of FDIAs on the HVdc frequency response. Comprehensive experiments of HDD-based HVdc ancillary controls under different FDIAs suggest that the proposed HDD could fast and accurately classify the FDIAs, and the HDD-based HVdc ancillary control strategy could significantly suppress the impact of the FDIAs.

97 MATHEMATICS AND COMPUTING↗

1 Mil Gold Bond Wire Study

In microcircuit fabrication, the diameter and length of a bond wire have been shown to both affect the current versus fusing time ratio of a bond wire as well as the gap length of the fused wire. This study investigated the impact of current level on the time-to-open and gap length of 1 mil by 60 mil gold bond wires. During the experiments, constant current was provided for a control set of bond wires for 250ms, 410ms and until the wire fused; non-destructively pull-tested wires for 250ms; and notched wires. The key findings were that as the current increases, the gap length increases and 73% of the bond wires will fuse at 1.8A, and 100% of the wires fuse at 1.9A within 60ms. Due to the limited scope of experiments and limited data analyzed, further investigation is encouraged to confirm these observations.

Huff, Johnathon D.↗

TH-AB-BRB-05: Using a Research Real-Time Control Interface to Go Beyond Dynamic MLC Tracking

Current state-of-the art digital C-arm medical linear accelerators are capable of delivering radiation treatments with high level of automation, which affords coordinated motions of gantry, couch, and multileaf collimator (MLC) with dose rate modulations. The new machine capacity has shown the potential to bring substantially improved radiation dosimetry and/or delivery efficiency to many challenging diseases. Combining an integrated beam orientation optimization algorithm with automated machine navigation, markedly improved dose conformity has been achieved using 4ρ therapy. Trajectory modulated radiation therapy (TMAT) can be used to deliver highly conformal dose to partial breast or to carve complex dose distribution for therapy involving extended volumes such as total marrow and total lymph node treatment. Dynamic electron arc radiotherapy (DEAR) not only overcomes the deficiencies of conventional electron therapy in dose conformity and homogeneity but also achieves so without patient-specific shields. The combination of MLC and couch tracking provides improved motion management of thoracic and abdominal tumors. A substantial body of work has been done in these technological advances for clinical translation. The proposed symposium will provide a timely review of these exciting opportunities. Learning Objectives: Recognize the potential of using digitally controlled linacs for clinically significant improvements in delivered dose distributions for various treatment sites. Identify existing approaches to treatment planning, optimization and delivery for treatment techniques utilizing the advanced functions of digital linacs and venues for further development and improvement. Understand methods for testing and validating delivery system performance. Identify tools available on current delivery systems for implementation and control for such treatments. Obtain the update in clinical applications, trials and regulatory approval. K. Sheng, NIH U19AI067769, NIH R43CA183390, NIH R01CA188300, Varian Medical Systems V. Yu, Varian Medical Systems, AAPM Summer Undergraduate Fellowship, NSF graduate fellowship S. Nill, Elekta AB. Cancer Research UK under Programme C33589/A19727, NIHR Biomedical Research Centre at The Royal Marsden and The Institute of Cancer Research.

60 APPLIED LIFE SCIENCES↗

Neural-Network-Enhanced COTSIM: Advancing Predictive Capabilities for Fast DIII-D Simulations

Sustaining fusion reactions in tokamaks requires heating plasma to thermonuclear temperatures while maintaining confinement and stability. Neutral beam injection (NBI) provides heating, current drive, torque, and fueling, while electron cyclotron (EC) waves are widely used for heating and current drive; together, these actuators shape the plasma current, temperature, and density profiles. The control-oriented tokamak simulator (COTSIM), a predictive, control-oriented code, has been enhanced with neural-network surrogates for transport and sources. Turbulent transport is predicted by MMMnet—a neural-network version of the updated multimode model (MMM 9.0.10)—with significantly reduced computation time relative to MMM; neoclassical transport follows the Chang–Hinton model. NUBEAMnet, a surrogate of the Monte Carlo NUBEAM module, predicts beam-driven heating, current, and torque. EC heating and current drive use a control-oriented, empirically scaled source model; plasma resistivity follows the Spitzer formulation; bootstrap current uses the Sauter model. Equilibrium is computed using both prescribed and fixed-boundary solvers (FBSs), and the pedestal structure is modeled with an empirical pedestal model. For a representative DIII-D discharge, COTSIM predicts electron and ion temperature and safety-factor profiles in close agreement with TRANSP predictive and interpretive simulations while extending predictions through the pedestal region to the plasma edge (versus 80% of the minor radius in TRANSP). Furthermore, the equivalent COTSIM simulation runs in under 3 min compared to about 2 h for TRANSP, enabling rapid scenario planning, optimization of tokamak operation, and between-pulse control design.

Control-oriented tokamak simulator (COTSIM)↗

Dynamics of Dirac strings and monopolelike excitations in chiral magnets under a current drive

Skyrmion lines in metallic chiral magnets carry an emergent magnetic field experienced by the conduction electrons. The inflow and outflow of this field across a closed surface is not necessarily equal, thus it allows for the existence of emergent monopoles. One example is a segment of skyrmion line inside a crystal, where a monopole and antimonopole pair is connected by the emergent magnetic flux line. This is a realization of Dirac stringlike excitations. Here we study the dynamics of monopoles in chiral magnets under an electric current. We show that in the process of creation of skyrmion lines, skyrmion line segments are first created via the proliferation of monopoles and antimonopoles. Then these line segments join and span the whole system through the annihilation of monopoles. The skyrmion lines are destroyed via the proliferation of monopoles and antimonopoles at high currents, resulting in a chiral liquid phase. We also propose to create the monopoles in a controlled way by applying an inhomogeneous current to a crystal. Remarkably, an electric field component in the magnetic field direction proportional to the current squared in the low current region is induced by the motion of distorted skyrmion lines, in addition to the Hall and longitudinal voltage. As a result, the existence of monopoles can be inferred from transport or imaging measurements.

36 MATERIALS SCIENCE↗

Systems and related methods for determining self-discharge currents and internal shorts in energy storage cells

Systems and methods for determining self-discharge currents in an energy storage cell and detecting internal shorts are disclosed. A system includes a DC voltage source configured to provide a constant test voltage selected to be less than an open-circuit voltage of an energy storage cell to the energy storage cell. The system also includes a current measuring device operably coupled between the DC voltage source and the energy storage cell, and control circuitry operably coupled to the current measuring device. A method includes applying the constant test voltage, and measuring the test current flowing between the DC voltage source and the energy storage cell until after the test current switches from a negative current to a positive current. The method also includes determining a self-discharge current of the energy storage cell by analyzing the measured test current with computational models that capture physical processes tied to the test methods.

25 ENERGY STORAGE↗

Modelica-json: Transforming energy models to digitize the control delivery process

Building simulation models are typically not used to generate the documentation required for bidding and project delivery of commercial building systems, or for their semantic modeling and commissioning. This paper presents a software tool that aids in digitizing the control delivery process, spanning simulation during design to implementation and formal verification during commissioning. The tool can generate from Modelica models digital documentation of control sequences. This digital documentation, along with other project drawings and specifications can be used for project bidding. It can also be used for implementation of control sequences through machineto-machine translation to commercial legacy control products, for which we are currently developing the proposed ASHRAE Standard 231P based on the presented work. Moreover, as-installed control sequences can be formally verified against the design specification, and a semantic model in Brick can be exported to aid in configuration of building analytics and fault detection. The paper presents what we believe is the first translation of a Modelica-implemented control sequence to a native implementation on a commercial control platform, using the webCTRL product line from Automated Logic. The paper also shows how a webCTRL implementation can be formally verified against its Modelica specification. These use cases have all been demonstrated with a prototype implementation that is now being further developed.

Wetter, Michael↗