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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Increasing Multilayer Ceramic Capacitor Lifetime With Bipolar Voltage Cycling

Enhancing the lifetime of multilayer ceramic capacitors (MLCCs) is critical in many aerospace, naval, or electrical grid applications, where device failure could lead to catastrophic consequences. The migration of oxygen vacancies from the ceramic to the electrode interface under constant bias is known to reduce the lifetime of oxide-based MLCCs. Bias cycling presents an opportunity to enhance MLCC lifetime by reducing oxygen vacancy migration. The ideal frequency range is expected to lie between frequencies low enough to avoid self-heating but high enough to avoid interfacial defect formation. However, the impact of low-frequency bipolar voltage cycling (BVC) on MLCC degradation mechanisms has not been well studied. This work investigates the impact of periodic BVC on the degradation of MLCCs through highly accelerated lifetime testing (HALT) on X7R capacitors. HALT tests were conducted at 255 °C and 60 V using different switching frequencies: 0 (dc), 0.1, 2.5, and 10 Hz. BVC was found to improve the lifetime of MLCCs compared to dc test conditions. MLCCs tested at 10-Hz BVC showed a 311% increase in average time to failure compared to the dc case. Impedance spectroscopy shows that BVC decreases the rate of resistance degradation within MLCCs, indicating that oxygen vacancy migration to the electrodes is mitigated. The impedance spectra taken on BVC samples highlight how grain boundaries play a vital role in trapping oxygen vacancies. Periodic cycling causes oxygen vacancies to become trapped at grain boundaries, resulting in oxygen vacancies taking longer to reach the electrode interface and thus increasing MLCC lifetime. This work highlights not only how BVC can be used to increase MLCC lifetime but also how periodically cycling MLCCs could increase lifetime in extreme environments, such as at elevated temperatures and electric fields.

Chuong, Kayla Y.↗
DOE OSTI2024

Novel ceramic capacitors with ultrahigh energy density and efficiency (Final Technical Report)

Antiferroelectric ceramics are a special class of material that have shown great potential as the dielectric in electrical capacitors due to their high energy- and power-density. During each charge-discharge cycle, the ceramic undergoes transformation to a ferroelectric phase and resumes its antiferroelectric phase. The hysteresis associated with the transitions leads to a mediocre energy efficiency and service lifetime of antiferroelectric capacitors and, hence, their almost absence in commercial products. Under the support of this research project, we first formulated a universal lattice-compatibility theory that included electrostatic polarization energy along with elastic energy and thermal energy to understand the origin of the hysteresis in antiferroelectric oxides. Guided by this compatibility theory, we conducted high-throughput density functional theory (DFT) calculations to assess chemical modifiers and their effect on crystal structures of 400+ PbZrO 3 -based compositions. Down-selected compositions were experimentally validated for their suppressed hysteresis and higher energy efficiency. The verified low-hysteresis compositions were then expanded to an antiferroelectric ceramic library with nearly 500 new compositions (more than 1,500 samples) using high-throughput experiments involving ceramic synthesis and property screening. The large quantity of data generated (theory and experimental) in these tasks were processed by machine-learning techniques and identified trends were fed to the next iteration. In the end, we successfully discovered four compositions with near-zero hysteresis, yielding a world-record energy efficiency of 98.2% at an energy density of 3.0 J/cm 3 . Furthermore, our antiferroelectric ceramic capacitor reaches 79.5 million charge-discharge cycles lifetime, a factor of 80 enhancement over previous antiferroelectric ceramics with large hysteresis. These research accomplishments have not only met the milestones set in the SOPO, but also led to two patent filings, three journal publications (one of them was in Advanced Materials, impact factor 29.4), and nine oral presentations at various venues. Through the course of the project, three postdocs, four Ph.D. students, and one M.S. student were trained. In short, our project established a new methodology in searching next-generation functional ceramics on the fundamental side and discovered several high-efficiency antiferroelectric compositions for capacitors on the applied side. Once fabricated into the multilayer form for commercial applications, these ceramic capacitors can potentially enable the high temperature high power density DC-link capacitors that are critical for the next generation inverters in electric vehicles. The project also significantly contributed to the nation’s workforce development in the STEM fields.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Electric Drive Technologies Research: ELT223 Component Modeling, Co-Optimization, and Trade-Space Evaluation Annual Report

This project is intended to support the development of new traction drive systems that meet the targets of 100 kW/L for power electronics and 50 kW/L for electric machines with reliable operation to 300,000 miles. To meet these goals, new designs must be identified that make use of state-of-the-art and next-generation electronic materials and design methods. Designs must exploit synergies between components, for example converters designed for high-frequency switching using wide band gap (WBG) devices and ceramic capacitors. This project included: (1) a survey of available technologies; (2) investigating new technologies, that for example, reduce volume of thermal management or magnetic components; (3) the development of computer aided design tools that consider the converter volume, reliability, and electrical performance; (4) exercising the design software to evaluate performance gaps and predict the impact of certain technologies and design approaches, i.e. GaN semiconductors, ceramic capacitors, ceramic thermal management components, and select topologies; (5) building and testing hardware prototypes to validate models and concepts. The design tools enable co-optimization of the power module and passive elements and provide some design guidance. At the end of the project, new advanced computing methods, such as machine learning approaches, were considered.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

Ultra-thin on-chip ALD LiPON capacitors for high frequency application

Multi-layer ceramic capacitors have been used for high frequency decoupling application due to a lower overall impedance leading to fast current response. However, high parasitic inductance limits the application of these capacitors in ultra-high frequency domain. Thus, Multlayer Ceramic Capacitors (MLCCs) are placed close to the IC to improve circuit efficiency and reduce inductance. With next generation applications, the demand for frequency range has further increased which not only requires enhanced capacitor material but improved manufacturing techniques to limit the inductive path. Here, we demonstrate ALD of two different polymorphs of ultra-thin film lithium phosphorus oxynitride (LiPON) as an inorganic solid state electrolyte (SSE) for on chip capacitors for decoupling application. Both the LiPON capacitors shows an electric double layer behavior with a capacitance of 15 μF/cm 2 and a low leakage current (<20 nA/cm 2 ) at 2V. The LiPON shows EDLC behavior up to 10 kHz and beyond, both the polymorphs show an electrostatic behavior with a high dielectric constant (14). Furthermore, this dual frequency behavior along with low parasitic inductance and on chip integration allows for operation in extended frequency ranges.

25 ENERGY STORAGE↗
DOE OSTI2023

Investigation into the crystal structure–dielectric property correlation in barium titanate nanocrystals of different sizes

For high capacitance multilayer ceramic capacitors, high dielectric constant and lead-free ceramic nanoparticles are highly desired. However, as the particle size decreases to a few tens of nanometers, their dielectric constant significantly decreases, and the underlying mechanism has yet to be fully elucidated. Herein, we report a systematic investigation into the crystal structure–dielectric property relationship of combustion-made BaTiO 3 (BTO) nanocrystals. When the nanocrystal size was 100 nm and below, a metastable paraelectric cubic phase was found in the as-received BTO (denoted as arBTO) nanocrystals based on an X-ray diffraction (XRD) study. A stable ferroelectric tetragonal phase was present when the nanocrystal size was above 200 nm. Notably, the cubic arBTO (particle size ≤100 nm) exhibited tetragonal fluctuations as revealed by Raman spectroscopy, whereas the tetragonal arBTO (particle size ≥200 nm) contained ~10% cubic fraction according to the Rietveld fitting of the XRD profiles. Thermal annealing of the multi-grain tetragonal arBTO at 950 °C yielded single crystals of annealed BTO (denoted as anBTO), whose dielectric constants were higher than those of arBTO. However, the single crystalline anBTO prevented the formation of 90° domains; therefore, they exhibited a low dielectric constant of ~300. Although X-ray photoelectron spectroscopy and high-resolution transmission electron microscopy could not identify the exact structural defects, our study revealed that surface and bulk defects formed during synthesis affect the final crystal structures and thus the dielectric properties of BTO nanocrystals with different sizes. Finally, the understanding obtained from this study will help us design high dielectric constant perovskite nanocrystals for next-generation multilayer ceramic capacitor applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Component Modeling, Co-Optimization, and Trade-Space Evaluation (FY2021 Annual Progress Report)

This project is intended to support the development of new traction drive systems that meet the targets of 100 kW/L for power electronics and 50 kW/L for electric machines with reliable operation to 300,000 miles. To meet these goals, new designs must be identified that make use of state-of-the-art and next-generation electronic materials and design methods. Designs must exploit synergies between components, for example converters designed for high-frequency switching using wide band gap devices and ceramic capacitors. This project includes: (1) a survey of available technologies; (2) the development of design tools that consider the converter volume and performance; (3) exercising the design software to evaluate performance gaps and predict the impact of certain technologies and design approaches, i.e. GaN semiconductors, ceramic capacitors, and select topologies; and (4) building and testing hardware prototypes to validate models and concepts. Early instantiations of the design tools enable co-optimization of the power module and passive elements and provide some design guidance; later instantiations will enable the co-optimization of inverter and machine. Prototype testing begins with evaluation of simpler conversion topologies (i.e. the half-bridge boost converter) and progresses with fabrication of prototype inverter drives.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

Correlation between cation order/disorder and the electrocaloric effect in the MLCCs of complex perovskite ferroelectrics

The physical properties (dielectric, ferroelectric, piezoelectric, etc.) of complex perovskite ferroelectrics depend on the degree of order/disorder and the scale of the ordered domains. In this study, the electrocaloric (EC) properties of three representative complex perovskite ferroelectrics, Pb(Mg 1/3 Nb 2/3 )O 3 -8PbTiO 3 (PMN-8PT), 1mol% Sm-doped Pb(Mg 1/3 Nb 2/3 )O 3 -8PbTiO 3 (1S-PMN-8PT) and Pb(Sc 1/2 Ta 1/2 )O 3 (PST) are evaluated. Multi-layer ceramic capacitors (MLCCs) with identical structural configurations were fabricated for these three compounds, and their EC properties were characterized by direct measurement using a thermocouple. The EC temperature change of PMN-8PT, 1S-PMN-8PT and PST MLCCs under 20 V μm –1 at room temperature were found to be 1.42 K, 1.54 K, and 3.10 K, respectively. X-ray diffraction and high-resolution transmission electron microscopy data suggests that the high EC performance of PST is related to the ordering of B-site cations (Sc 3+ and Ta 5+ ) with the ordering parameter S = 0.82 and a long coherence length of ~100 nm, such that the sample transitioned from a relaxor ferroelectric to a normal ferroelectric. Furthermore, these results provide pathway towards design of high performance EC materials required for solid state refrigeration and air-conditioning technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Extreme Efficiency 240 Vac to Load Data Center Power Delivery Topologies and Control

The research explored innovative new circuit topologies and power converter architectures for data center power delivery, from the 240 V ac voltage at the input of a server rack, down to the less than 1 V dc power supply of the latest microprocessors. The research pursued three parallel tracks to increase the power conversion efficiency and to reduce the overall size of the servers: 1) An innovative new ac-dc power converter topology which enables improved efficiency through use of a novel direct step-down topology, well suited for the popular 48V dc power distribution. 2) A new series-stacked power delivery approach for servers comprising a large number of similar loads, such as hard drives in storage servers. The approach greatly reduces the power conversion losses, and achieves efficiency well over 99%. 3) A new family of hybrid switched-capacitor power converters that enable improved efficiency and reduced size through the use of dense ceramic capacitors and new circuit topologies that leverage GaN and low-voltage Si transistor technology. Together, the accomplished research achieved the goal of reducing the power conversion losses in datacenters, thereby reducing greenhouse gas emissions, operating costs, and overall electricity consumption.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

High performance Calcium Copper Titanate/Polyimide dielectrics composites enabled through colloidal stabilization

Transition to electrified transportation demands advanced power electronic components with the capability to improve range, reliability, and cost of ownership to accelerate mass market adoption. Thus, improvement in the current designs, manufacturing processes, materials, and components capable of providing reliable and efficient operation at higher temperatures play important roles in meeting future needs. To address these challenges, this article focuses on novel dielectric materials designed to reduce the volume of the most important and bulky component of a power electronic system, a capacitor. A new composite dielectric material was developed by integrating the positive attributes of both polymer and ceramic capacitors to overcome the challenges of state-of-the-art dielectric materials. Further, the developed composite properties have been evaluated and showed promising results, achieving a dielectric constant of 250 at 100 Hz, 25°C, unseen in current literature. Additionally, these materials can function at high temperatures (>150°C) with good breakdown strength, providing promising working conditions for capacitors, especially in electric vehicle applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

In situ TEM measurement of electrical properties of individual BaTiO 3 nanocubes

We report on the measurement of the electrical properties of individual pristine and doped BaTiO 3 nanocubes by using in situ transmission electron microscopy with a two-electrode configuration. The dimensions of the nanocubes tested are between 10 and 20 nm, which rendered their in situ electrical characterization challenging. We characterized 4%Cr and 5%La (atomic percentage) doped BaTiO 3 nanocubes and compared them with the properties of pristine BaTiO3 nanocubes synthesized by the same solvothermal method. We found that the resistance of all three types of nanocubes when displayed in log-scale shows a nearly linear dependence on the applied electric field (R2 ≥ 0.95) over a wide range of electric fields (50–900 kV/cm). Compared with pristine BaTiO 3 nanocubes, the resistance of both 4%Cr and 5%La doped nanocubes showed reduced variation rates with respect to the electric field, with 5%La doping, demonstrating a better reduction in the variation rate. By developing techniques capable of evaluating the properties of individual BaTiO 3 nanocubes, we expect that our work to open the door to the use of BaTiO 3 nanomaterials in the design of future multilayer ceramic capacitors with improved volumetric efficiency and ferroelectrics-enabled nanodevices with advanced functionality.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Correcting impedance measurements for background parasitics to characterize circuit components in cryogenic environments

Predictable circuit response is a critical prerequisite for accurate electronic measurements. Here, we describe a powerful yet straightforward experimental method and analysis model that utilizes an affordable LCR meter in conjunction with an in situ parasitic-impedance background-correction procedure to measure the temperature-dependent impedance (magnitude and phase) of up to ten individual passive circuit elements in a single cryostat run. We show how the model unambiguously identified a ∼20× drop in capacitance for 22 μF 5XR multilayer ceramic capacitors cooled from 300 K to 360 mK in an environment with a parasitic capacitance of ∼300 pF. The same experimental procedure, based on a simple two-wire measurement, was also used to measure 10 and 22 pF thin-film capacitors and 100 MΩ thick-film resistors. The results showed that the resistor values increased by up to an order of magnitude when the devices were cooled from 300 K to 360 mK. Most importantly, we showed that the simple data-acquisition method, coupled with our analysis model, enabled the measurement of component parasitics, and effectively extended the accuracy of a commercial LCR meter beyond its manufacturer-guaranteed values for a wide range of measurement frequencies. We also showed that, in the current configuration, our simple approach is limited to a capacitance accuracy of ∼10 pF.

Carpenter, R. J. [Santa Clara Univ., Santa Clara, ↗
DOE OSTI2024

Bragg Coherent Imaging of Fluctuating Domains

This review presents two examples of domain dynamics in crystalline solid state samples which were imaged recently with synchrotron X-rays by Bragg Coherent Diffraction methods. Domains are associated with sub-atomic phase shifts in the structure which are revealed by the strong phase contrast associated with Bragg diffraction. At low temperatures, La2-xSrxNiO4 has an antiferromagnetic spin-ordered phase with correlation lengths of 200 nm; its domains are imaged with magnetic Bragg Ptychography to visualize their slow fluctuations. Hydrothermally synthesized nanocrystalline BaTiO3 is found to be made up of ~50 nm domains using Bragg Coherent Diffraction Imaging; electric field induced movement of its internal domain walls is a likely explanation of the nano-material's anomalously large dielectric constant, which is used in the manufacture of multilayer ceramic capacitors

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Nucleation and growth of polar clusters with in-phase tilts into a long-range ferroelectric matrix in a sodium niobate based complex relaxor

In this study, we have investigated the temperature dependence of atomic ordering at multiple length scales in a lead-free sodium niobate-based relaxor, i.e., 0.75 NaNbO 3 -0.25 Ba 0.9⁢ Ca 0.1⁢ TiO 3 (NN-25BCT) via synchrotron x-ray diffraction, Raman spectroscopy, and pair distribution function analysis. High-resolution synchrotron x-ray powder diffraction (SXRD) measurements reveal a ferroelectric phase transition in the relaxor ferroelectric NN-25BCT below the Vogel-Fulcher freezing temperature (𝑇 VF ≈ 270 K). In addition, SXRD analysis demonstrates the competition between in-phase octahedral tilting and ferroelectric order at the long-range scale using mode crystallography. On the other hand, Raman spectroscopic analysis provides evidence of polar ordering for 𝑇 > 𝑇 VF (with tetragonal symmetry) persisting up to the Burns temperature (𝑇 B ). Furthermore, pair distribution function (PDF) analysis reveals the presence of a polar antiferrodistortive tetragonal phase with 𝑃⁢4⁢𝑏𝑚 space group at short ranges throughout the studied temperatures (i.e., 110 K ≤ 𝑇 ≤500 K), irrespective of nonpolar long-range ordering above 𝑇 VF . Therefore, our measurements provide direct evidence for the presence of polar ordering at short ranges and their gradual transformation into long-range polar ordering using an integrated multiscale structural analysis. In conclusion, as a result of a transition from relaxor to a ferroelectric phase in the vicinity of room temperature, NN-25BCT can be exploited for applications in pyroelectric detectors, electrocaloric devices, and multilayered ceramic capacitors.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Antiferroelectric Ceramics for Energy–Efficient Capacitors by Theory–Guided Discovery

Antiferroelectric ceramics, via the electric-field-induced antiferroelectric (AFE)–ferroelectric (FE) phase transitions, show great promise for high-energy-density capacitors. Yet, currently, only 70–80% energy release is found during a charge–discharge cycle. Here, for PbZrO 3 -based oxides, geometric nonlinear theory of martensitic phase transitions is applied (first used to guide supercompatible shape-memory alloys) to predict the reversibility of the AFE–FE transition by using density-functional theory to assess AFE/FE interfacial lattice-mismatch strain that assures ultralow electric hysteresis and extended fatigue lifetime. A good correlation of mismatch strain with electric hysteresis, hence, with energy efficiency of AFE capacitors is observed. Here, guided by theory, high-throughput material search is conducted and AFE compositions with a near-perfect charge–discharge energy efficiency (98.2%), i.e., near-zero hysteresis are discovered. And the fatigue life of the capacitor reaches 79.5 million charge–discharge cycles, a factor of 80 enhancement over AFE ceramics with large electric hysteresis.

36 MATERIALS SCIENCE↗