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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

A chemical switch enabled autonomous two-stage crosslinking polymeric binder for high performance silicon anodes

Silicon (Si) is a promising high-capacity anode material for high-energy-density lithium-ion batteries. However, the drastic volumetric changes of Si upon lithiation/delithiation hinder the practical use of Si anodes. Although adhesive polymeric binders, such as poly(acrylic acid) (PAA), mitigate this issue, the cycling performance of the fabricated Si anodes is still far from meeting the criteria of practical applications. In this study, we present a novel polymeric binder system for Si anodes consisting of PAA, a chemical switch (ammonia, NH 3 ), and a crosslinker (branched polyethylenimine, PEI). The crosslinking between PAA and PEI is switched off in the slurry, which can then be turned on during electrode drying. Interestingly, the crosslinking reaction consists of two stages: ionic cross-linking (PAA-PEI-i) and covalent crosslinking (PAA-PEI-c) at a higher temperature (e.g., 130 °C). In half-cells, Si anodes fabricated using the PAA-PEI-c binder show a 67% increase in capacity retention compared to PAA anodes over 150 cycles at C/3 rate. The PAA-PEI-c binder also outperforms PAA in full cells. In addition, the chemical switch controlled crosslinking binder system also facilitates the slurry making process by avoiding early crosslinking. This system requires no additional steps compared to the conventional electrode lamination process, showing enormous potential for direct adoption in large-scale manufacturing.

25 ENERGY STORAGE↗
DOE OSTI2024

Revealing the structure and electronic characteristics of Te-rich threshold switching materials for high-density integration

Ovonic threshold switching (OTS) selectors play an important role in the integration of advanced three-dimensional memory. Selectors based on tellurium (Te)-containing materials exhibit significant promise due to their low threshold voltages and superior consistency. Here we have theoretically studied the structure and electronic properties of a typical OTS material, amorphous GeTe 6 , to explore the switching mechanisms using ab initio molecular dynamics simulations. The results indicate that Ge atoms tend to bond with Te atoms, forming stable chemical bonds. The Te-centered clusters are predominantly in the form of distorted octahedrons, while the Ge-centered clusters are in the form of both octahedrons and tetrahedrons. Notably, the proportion of tetrahedrons within the 4-coordinated Ge-centered clusters reaches an impressive 66.9%. These tetrahedrons are randomly dispersed throughout the simulated cell, leading to a stable amorphous configuration. The mid-gap state observed in the mobility bandgap originates from the atomic chain composed of both over-coordinated Ge and Te atoms. It is the inherent stability of the chemical environment within amorphous GeTe 6 that enables it to maintain its amorphous phase under a repeated threshold voltage, a characteristic that distinguishes it from non-OTS materials, such as amorphous tellurium. Furthermore, our findings provide an in-depth understanding of the structure and electronic characteristics of amorphous GeTe 6 , which can promote the design and application of the Te-rich threshold switching materials.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Contact-free reversible switching of improper ferroelectric domains by electron and ion irradiation

Focused ion beam (FIB) and scanning electron microscopy (SEM) are used to reversibly switch improper ferroelectric domains in the hexagonal manganite ErMnO 3 . Surface charging is achieved by local ion (positive charging) and electron (positive and negative charging) irradiation, which allows controlled polarization switching without the need for electrical contacts. Polarization cycling reveals that the domain walls tend to return to the equilibrium configuration obtained in the as-grown state. The response of sub-surface domains is studied by FIB cross-sectioning, enabling imaging in the direction perpendicular to the applied electric field. The results clarify how the polarization reversal in hexagonal manganites progresses at the level of domains, resolving both domain wall movements and the nucleation and growth of new domains. Our FIB-SEM based switching approach is applicable to all ferroelectrics where a sufficiently large electric field can be built up via surface charging, facilitating contact-free high-resolution studies of the domain and domain wall response to electric fields in 3D.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Evidence for a thermally driven charge-density-wave transition in 1T-TaS 2 thin-film devices: Prospects for GHz switching speed

We report on the room-temperature switching of 1T-TaS 2 thin-film charge-density-wave devices, using nanosecond-duration electrical pulsing to construct their time-resolved current–voltage characteristics. The switching action is based upon the nearly commensurate to incommensurate charge-density-wave phase transition in this material, which has a characteristic temperature of 350 K at thermal equilibrium. For sufficiently short pulses, with rise times in the nanosecond range, self-heating of the devices is suppressed, and their current–voltage characteristics are weakly nonlinear and free of hysteresis. This changes as the pulse duration is increased to ~200 ns, where the current develops pronounced hysteresis that evolves nonmonotonically with the pulse duration. By combining the results of our experiments with a numerical analysis of transient heat diffusion in these devices, we clearly reveal the thermal origins of their switching. In spite of this thermal character, our modeling suggests that suitable reduction of the size of these devices should allow their operation at GHz frequencies.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Strongly temperature dependent ferroelectric switching in AlN, Al 1-x Sc x N, and Al 1-x B x N thin films

This manuscript reports the temperature dependence of ferroelectric switching in Al 0.84 Sc 0.16 N, Al 0.93 B 0.07 N, and AlN thin films. Polarization reversal is demonstrated in all compositions and is strongly temperature dependent. Between room temperature and 300 °C, the coercive field drops by almost 50% in all samples, while there was very small temperature dependence of the remanent polarization value. Furthermore, over this same temperature range, the relative permittivity increased between 5% and 10%. Polarization reversal was confirmed by piezoelectric coefficient analysis and chemical etching. Applying intrinsic/homogeneous switching models produces nonphysical fits, while models based on thermal activation suggest that switching is regulated by a distribution of pinning sites or nucleation barriers with an average activation energy near 28 meV.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Local charge-screening and polarization switching in a ferroelectric ionic-superconductor

For ferroelectric ionic-conductors, polarization switching is complicated by the interplay between ion mobility and charge screening effects. When the ionic charge carriers also play a key role in the domain reversal, such as in Rb-doped KTiOPO 4 (RKTP), a higher level of complexity is introduced. RKTP provides an ideal platform for investigating the relationship between ionic conductivity and polarization reversal because its highly anisotropic crystal properties allow selective modification of material characteristics through diffusive cation doping. Here, we use indiffused Ba/K doping to create a significant increase in the ionic conductivity. Time-of-flight secondary ion mass spectrometry is employed to map Ba/K doping within the RKTP crystal and correlate it to changes in ionic mobility and polarization switching characteristics under an external field applied to the nonpolar face. Using band-excitation piezoresponse force microscopy, we demonstrate a selective switching-inhibition mechanism driven by the enhanced charge screening.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Thermal stability and magnetization switching of composite free layer with perpendicular magnetic anisotropy

We present a micromagnetic study of a ferromagnetically exchange-coupled composite free layer design for perpendicular magnetic tunnel junctions. The thermal stability factor and critical switching current density depend on the exchange coupling strength and effective anisotropy ratio between the sublayers of the composite free layer. The energy barrier increases with an increase of the exchange coupling strength until it reaches a plateau in the strong-coupling limit. An optimal exchange coupling strength exists that leads to the minimal critical switching current and a significant improvement of the figure of merit defined as the ratio between the energy barrier and critical switching current. This behavior is obtained for smaller device sizes with uniform reversal and larger sizes with domain wall reversal.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Magnetic state switching in FeGa microstructures

This work demonstrates that magnetoelectric composite heterostructures can be designed at the length scale of 10µms that can be switched from a magnetized state to a vortex state, effectively switching the magnetization off, using electric field induced strain. This was accomplished using thin film magnetoelectric heterostructures of Fe 81.4 Ga 18.6 on a single crystal (011) [Pb(Mg 1/3 Nb 2/3 )O 3 ] 0.68 -[PbTiO 3 ] 0.32 (PMN-32PT) ferroelectric substrate. Here, the heterostructures were tripped from a multi-domain magnetized state to a flux closure vortex state using voltage induced strain in a piezoelectric substrate. FeGa heterostructures were deposited on a Si-substrate for superconducting quantum interference device magnetometry characterization of the magnetic properties. The magnetoelectric coupling of a FeGa continuous film on PMN-32PT was characterized using a magneto optical Kerr effect magnetometer with bi-axial strain gauges, and magnetic multi-domain heterostructures were imaged using x-ray magnetic circular dichroism—photoemission electron microscopy during the transition to the vortex state. The domain structures were modelled using MuMax 3 , a micromagnetics code, and compared with observations. The results provide considerable insight into designing magnetoelectric heterostructures that can be switched from an ‘on’ state to an ‘off’ state using electric field induced strain.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Magnetic triggering — time-resolved characterisation of silicon strip modules in the presence of switching DC-DC converters

Modules for the ATLAS Inner Tracker (ITk) strip tracker include a DC-DC converter circuit glued directly to the silicon sensor which converts the 11 V supplied to the module to the 1.5 V required for the operation of the readout chips. The DC-DC converter unit, consisting of a copper solenoid and custom ASIC, is located directly above the silicon strip sensor and therefore needs to be shielded to protect the sensor from EMI noise created during the operation of the circuit. Despite dedicated shielding, consisting of an aluminium shield box with continuous solder seams encompassing the surface components and a copper layer in the PCB beneath it, module channels connected to sensor strips located beneath the converter circuit were found to show a noise increase. While the DC-DC converter unit causing the underlying EMI noise operates at a frequency of 2 MHz, module characterisation measurements for ITk strip tracker modules are typically performed asynchronously to the DC-DC switching and are therefore averaged over the full range of time bins with respect to the converter frequency. In order to investigate the time dependence of the noise injection relative to the DC-DC switching frequency, a dedicated setup to understand the time-resolved performance change in modules was developed. By using a magnetic field probe to measure the field leaking through the shield box and triggering on its rising edge, data taking could be synchronised with the DC-DC switching. This paper illustrates the concept and setup of such time-resolved performance measurements using magnetic triggering and presents results for the observed effects on signal and noise for ATLAS ITk strip modules from both laboratory and beam tests.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

Ferroelectric Fractals: Switching Mechanism of Wurtzite AlN

The advent of wurtzite ferroelectrics is enabling new ferroelectric devices for computer memory that have the potential to bypass the von Neumann bottleneck due to their robust polarization and silicon compatibility. However, the atomistic switching mechanism of wurtzites is still undetermined due to the limitations of density functional theory simulation size and experimental temporal and spatial resolution. Thus, physics-informed materials engineering to reduce coercive field and breakdown in these devices has been limited. In this work, the atomistic mechanism of domain wall migration and domain growth in aluminum nitride-based wurtzites is uncovered using molecular dynamics and Monte Carlo simulations. We reveal the anomalous switching mechanism of fast 1D single columns of atoms propagating from a slow-moving 2D fractallike domain wall. We find that the critical nucleus is a single aluminum ion that breaks its bond with one nitrogen and bonds to another nitrogen; this creates a cascade that flips atoms directly only in the same column, due to the extreme locality (sharpness) of the domain walls in wurtzites. We further show how the fractallike shape of the domain wall in the 2D plane breaks assumptions in the Kolmogorov, Avrami, and Ishibashi (KAI) model and leads to the anomalously fast switching in wurtzite structured ferroelectrics.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Ferroelectric switching pathways and domain structure of SrBi 2 ⁢(Ta,Nb) 2 ⁢O 9 from first principles

Several families of layered perovskite oxide ferroelectrics exhibit a coupling between polarization and structural order parameters, such as octahedral rotation distortions. This coupling provides opportunities for novel electric field-based manipulation of material properties, and it also stabilizes complex domain patterns and domain-wall vortices. Among layered perovskites with such coupled orders, the Aurivillius-phase oxides SrBi 2 ⁢B 2 ⁢O 9 (B = Ta,Nb) are well-known for their excellent room-temperature ferroelectric performance. This work combines group theoretic analysis with density functional theory calculations to examine the ferroelectric switching processes of SrBi2⁢B2⁢O9. Low-energy two-step ferroelectric switching paths are identified, with polarization reversal facilitated by structural order-parameter rotations. Analysis of the domain structure reveals how the relative energetics of the coupled order parameters translates into a network of several distinct domain-wall types linked by domain-wall vortex structures. Comparisons are made between the ferroelectric switching and domain structure of SrBi 2 ⁢B 2 ⁢O 9 and those of the layered n = 2 Ruddlesden-Popper hybrid improper ferroelectrics. The results provide insight into how ferroelectric properties may be optimized by engineering the complex crystal structures of Aurivillius-phase oxides.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Heat Pipe Enhanced Thermal Management System for GaN Switches in an Integrated Modular Motor Drive for Aircraft Propulsion

This paper presents the process of sizing a heat pipe enhanced thermal management system (TMS) for GaN switches in an integrated modular motor drive (IMMD) powering a 250 kW aircraft propulsion electric motor. A test setup mimicking the TMS and GaN switches assembly is constructed. The condenser chamber of the TMS is modeled in ANSYS Fluent while the GaN switches assembly is modeled in ANSYS Thermal allowing us to verify heat spreader temperature under test conditions and estimate GaN temperatures under test and actual application operating conditions.

DIRECT ENERGY CONVERSION↗
DOE OSTI2022

Deep Reinforcement Learning for Distribution System Restoration Using Distributed Energy Resources and Tie-Switches

Distributed energy resources (DERs), such as solar PVs and energy storage, can be used to restore distribution system critical loads after the extreme weather events to increase grid resilience. However, coordinating multiple DERs together with tie-switches for multi-step restoration process under renewable uncertainty is challenging. This paper proposes a deep reinforcement learning to control discrete actions of switching on/off tie switches and DERs for critical load restoration. The restoration problem is first cast into the Markov decision process suitable for DRL. Then, the original soft actor critic (SAC) method for continuous actions has been extended to handle discrete and continuous actions. Numerical comparison results with other stochastic optimization-based approaches on the modified IEEE 33-bus system show that the proposed method can achieve fast critical load restoration in the presence of substation power outage while maintaining system voltage limit throughout the restoration process.

active distribution systems↗
DOE OSTI2025

A High-Voltage High-Current Benchtop Test Stand for Solid-State Switch Testing at the SNS

Solid-state switches already replaced thyratrons in the SNS extraction kicker power supplies, offering improved efficiency and reliability. However, recent supply chain disruptions, combined with a self-firing issue, led us to explore alternative solutions. A vendor-developed MOS-Gated Thyristor switch was introduced but ultimately failed during testing. To investigate the failure and assess possible improvements, a benchtop test stand was constructed to evaluate the performance of a single stage board. This test stand features a Pulse Forming Network (PFN) that operates at 6 kV and 6 kA, with a repetition rate exceeding 60 Hz, simulating real operational conditions. By utilizing this setup, we seek to gain a better understanding of the failure mechanisms, refine the switch designs, and ultimately develop a more reliable alternative for the extraction kicker power supplies.

Bullman, Austin [ORNL]↗
DOE OSTI2020

Atomic-Scale Imaging of Polarization Switching in an (Anti-)Ferroelectric Memory Material: Zirconia (ZrO2)

Direct, atomic-scale visualization of polarization switching in a functional, polycrystalline, binary oxide via in-situ high-resolution transmission electron microscopy (HRTEM) biasing is reported for the first time. Antiferroelectric (AFE) ZrO2 was used as the model system, which is important for commercial DRAMs and as emerging NVMs (through work-function engineering). We observed (1) clear shifting and coalescing of domains within a single grain, and (2) dramatic changes of the atomic arrangements and crystalline phases—both at voltages above the critical voltage measured for AFE switching. Similar synergistic in-situ structural-electrical characterization can pave the way to understand and engineer microscopic mechanisms for retention, fatigue, variability, sub-coercive switching and analog states in ferroelectric and AFE-based memory devices.

Lombardo, Sarah↗
DOE OSTI2023

Thin film design of amorphous hafnium oxide nanocomposites enabling strong interfacial resistive switching uniformity

A design concept of phase-separated amorphous nanocomposite thin films is presented that realizes interfacial resistive switching (RS) in hafnium-oxide-based devices. The films are formed by incorporating an average of 7% Ba into hafnium oxide during pulsed laser deposition at temperatures ≤400°C. The added Ba prevents the films from crystallizing and leads to ~20-nm-thin films consisting of an amorphous HfO x host matrix interspersed with ~2-nm-wide, ~5-to-10-nm-pitch Ba-rich amorphous nanocolumns penetrating approximately two-thirds through the films. This restricts the RS to an interfacial Schottky-like energy barrier whose magnitude is tuned by ionic migration under an applied electric field. Resulting devices achieve stable cycle-to-cycle, device-to-device, and sample-to-sample reproducibility with a measured switching endurance of ≥10 4 cycles for a memory window ≥10 at switching voltages of ±2 V. Each device can be set to multiple intermediate resistance states, which enables synaptic spike-timing–dependent plasticity. The presented concept unlocks additional design variables for RS devices.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Ferroelectric FET-based context-switching FPGA enabling dynamic reconfiguration for adaptive deep learning machines

Field programmable gate array (FPGA) is widely used in the acceleration of deep learning applications because of its reconfigurability, flexibility, and fast time-to-market. However, conventional FPGA suffers from the trade-off between chip area and reconfiguration latency, making efficient FPGA accelerations that require switching between multiple configurations still elusive. Here, we propose a ferroelectric field-effect transistor (FeFET)–based context-switching FPGA supporting dynamic reconfiguration to break this trade-off, enabling loading of arbitrary configuration without interrupting the active configuration execution. Leveraging the intrinsic structure and nonvolatility of FeFETs, compact FPGA primitives are proposed and experimentally verified. The evaluation results show our design shows a 63.0%/74.7% reduction in a look-up table (LUT)/connection block (CB) area and 82.7%/53.6% reduction in CB/switch box power consumption with a minimal penalty in the critical path delay (9.6%). Besides, our design yields significant time savings by 78.7 and 20.3% on average for context-switching and dynamic reconfiguration applications, respectively.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Two TonB-dependent transporters in Methylosinus trichosporium OB3b are responsible for uptake of different forms of methanobactin and are involved in the canonical ‘copper switch’

Copper is an important component of methanotrophic physiology as it controls the expression and activity of alternative forms of methane monooxygenase (MMO). To collect copper, some methanotrophs secrete a chalkophore or copper-binding compound called methanobactin (MB). MB is a ribosomally synthesized post-translationally modified polypeptide (RiPP) that, after binding copper, is collected by MbnT, a TonB-dependent transporter (TBDT). Structurally different forms of MB have been characterized, and here we show that different forms of MB are collected by specific TBDTs. Further, we report that in the model methanotroph, Methylosinus trichosporium OB3b, expression of the TBDT required for uptake of a different MB made by Methylocystis sp. strain SB2 (MB-SB2), is induced in the presence of MB-SB2, suggesting that methanotrophs have developed specific machinery and regulatory systems to actively take up MB from other methanotrophs for copper collection. Moreover, the canonical “copper-switch” in Ms. trichosporium OB3b that controls expression of alternative MMOs is apparent if one of the two TBDTs required for MB-OB3b and MB-SB2 uptake is knocked out, but is disrupted if both TBDTs are knocked out. Furthermore, these data indicate that MB uptake, including the uptake of exogenous MB, plays an important role in the copper switch in M. trichosporium OB3b and thus overall activity. Based on these data, we propose a revised model for the “copper-switch” in this methanotroph that involves MB uptake.

54 ENVIRONMENTAL SCIENCES↗