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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Achieving Flat-on Primary Crystals by Nanoconfined Crystallization in High-Temperature Polycarbonate/Poly(vinylidene fluoride) Multilayer Films and Its Effect on Dielectric Insulation

To meet the stringent requirements of next-generation film capacitors for power electronics, multilayer films (MLFs) are fabricated with the advantage of achieving high temperature rating, high energy density, and reasonably low loss simultaneously. In this study, a high permittivity polar polymer, poly(vinylidene fluoride) (PVDF), is multilayered with a linear, low loss dielectric polymer such as high-temperature polycarbonate (HTPC). However, the dielectric loss of these MLFs was still high as compared with current state-of-the-art biaxially oriented polypropylene (BOPP) films. The goal of this work is to decrease the dielectric loss and enhance dielectric insulation by achieving flat-on primary PVDF crystals in MLFs via nanoconfined melt-recrystallization. Based on simultaneous small- and wide-angle X-ray scattering experiments, edge-on lamellar crystals were observed for all as-extruded MLFs, regardless of different PVDF layer thicknesses. However, after melting at 180 °C followed by recrystallization, flat-on primary crystals were successfully achieved when the PVDF layer thickness was below 39 nm. Above 78 nm for the PVDF layer, major edge-on primary crystals with minor flat-on secondary crystals were observed. Furthermore, from leakage current, breakdown, lifetime, and electric displacement-electric field loop studies, MLFs with the flat-on primary crystals exhibited reduced loss and enhanced dielectric insulation as compared to as-extruded MLFs and those with edge-on primary/flat-on secondary crystals. This was attributed to the effective blockage of charge carriers by the flat-on PVDF primary crystals and their reduced ferroelectric switching.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Direct Observations of Field-Intensity-Dependent Dielectric Breakdown Mechanisms in TiO 2 Single Nanocrystals

One of the main challenges for next-generation electric power systems and electronics is to avoid premature dielectric breakdown in insulators and capacitors and to ensure reliable operations at higher electric fields and higher efficiencies. However, dielectric breakdown is a complex phenomenon and often involves many different processes simultaneously. Here we show distinctly different defect-related and intrinsic breakdown processes by studying individual, single crystalline TiO 2 nanoparticles using in-situ transmission electron microscopy (TEM). As the applied electric field intensity rises, rutile-to-anatase phase transition, local amorphization/melting, or ablation are identified as the corresponding breakdown processes, the field intensity thresholds of which are found to be related to the position of the intensified field and the duration of the applied bias relative to the time of charged defects accumulation. Our observations reveal an intensity-dependent dielectric response of crystalline oxides at breakdown and suggest possible routes to suppress the iniation of premature dielectric breakdown. Hence, they will aid the design and development of next generation robust and efficient solid dielectrics.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Influence of the Dielectric Constant on the Ionic Current Rectification of Bipolar Nanopores

In this paper, we investigate how the dielectric constant, ϵ, of an electrolyte solvent influences the current rectification characteristics of bipolar nanopores. It is well recognized that bipolar nanopores with two oppositely charged regions rectify current when exposed to an alternating electric potential difference. Here, we consider dilute electrolytes with NaCl only and with a mixture of NaCl and charged nanoparticles. These systems are studied using two levels of description, all-atom explicit water molecular dynamics (MD) simulations and coarse-grained implicit solvent MD simulations. The charge density and electric potential profiles and current-voltage relationship predicted by the implicit solvent simulations with ϵ = 11.3 show good agreement with the predictions from the explicit water simulations. Under nonequilibrium conditions, the predictions of the implicit solvent simulations with a dielectric constant closer to the one of bulk water are significantly different from the predictions obtained with the explicit water model. Further, these findings are closely aligned with experimental data on the dielectric constant of water when confined to nanometric spaces, which suggests that ϵ decreases significantly compared to its value in the bulk. Moreover, the largest electric current rectification is observed in systems containing nanoparticles when ϵ = 78.8. Using enhanced sampling, we have shown that this larger rectification arises from the presence of a significantly deeper minimum in the free energy of the system with a larger ϵ, and when a negative voltage bias is applied. Since implicit solvent models and mean-field continuum theories are often used to design Janus membranes based on bipolar nanopores, this work highlights the importance of properly accounting for the effects of confinement on the dielectric constant of the electrolyte solvent. The results presented here indicate that the dielectric constant in implicit solvent simulations may be used as an adjustable parameter to approximately account for the effects of nanometric confinement on aqueous electrolyte solvents.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Why Dissolving Salt in Water Decreases Its Dielectric Permittivity

The dielectric permittivity of salt water decreases on dissolving more salt. For nearly a century, this phenomenon has been explained by invoking saturation in the dielectric response of the solvent water molecules. Herein, we employ an advanced deep neural network (DNN), built using data from density functional theory, to study the dielectric permittivity of sodium chloride solutions. Notably, the decrease in the dielectric permittivity as a function of concentration, computed using the DNN approach, agrees well with experiments. Detailed analysis of the computations reveals that the dominant effect, caused by the intrusion of ionic hydration shells into the solvent hydrogen-bond network, is the disruption of dipolar correlations among water molecules. Accordingly, the observed decrease in the dielectric permittivity is mostly due to increasing suppression of the collective response of solvent waters.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Origin of mechanical and dielectric losses from two-level systems in amorphous silicon

Amorphous silicon contains tunneling two-level systems, which are the dominant energy loss mechanisms for amorphous solids at low temperatures. These two-level systems affect both mechanical and electromagnetic oscillators and are believed to produce thermal and electromagnetic noise and energy loss. However, it is unclear whether the two-level systems that dominate mechanical and dielectric losses are the same; the former relies on the coupling between phonons and two-level systems, with an elastic field coupling constant γ while the latter depends on a two-level systems dipole moment p0, which couples to the electromagnetic field. Mechanical and dielectric loss measurements as well as structural characterization were performed on amorphous silicon thin films grown by electron beam deposition with a range of growth parameters. Samples grown at 425 °C show a large reduction of mechanical loss (34 times) and a far smaller reduction of dielectric loss (2.3 times) compared to those grown at room temperature. Additionally, mechanical loss shows lower loss for thicker films, while dielectric loss shows lower loss for thinner films. Overall, analysis of these results indicate that mechanical loss correlates with atomic density, while dielectric loss correlates with dangling-bond density, suggesting a different origin for these two energy dissipation processes in amorphous silicon.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Low-loss Si-based Dielectrics for High Frequency Components of Superconducting Detectors

Silicon-based dielectric is crucial for many superconducting devices, including high-frequency transmission lines, filters, and resonators. Defects and contaminants in the amorphous dielectric and at the interfaces between the dielectric and metal layers can cause microwave losses and degrade device performance. Optimization of the dielectric fabrication, device structure, and surface morphology can help mitigate this problem. We present the fabrication of silicon oxide and nitride thin film dielectrics. We then characterized them using Scanning Electron Microscopy, Atomic Force Microscopy, and spectrophotometry techniques. The samples were synthesized using various deposition methods, including Plasma-Enhanced Chemical Vapor Deposition and magnetron sputtering. The film's morphology and structure were modified by adjusting the deposition pressure and gas flow. The resulting films were used in superconducting resonant systems consisting of planar inductors and capacitors. Measurements of the resonator properties, including their quality factor, were performed.

low-loss dielectrics↗
DOE OSTI2022

Contributions to Dielectric Constant Enhancement in Thin Film Metal Insulator Metal Capacitors

Thin film metal-insulator-metal capacitors were fabricated with varying dielectric and electrode thicknesses and areas. Measurement of the dielectric properties of the capacitors consistently yielded higher than predicted capacitance values, which prompted the exploration of three factors that could enhance the capacitance. Modeling of the fringing capacitance and field enhancement due to the capacitor geometry, both yield capacitance gains, albeit insufficient to fully explain the observed behavior. The possible role of changes in polarizability of the dielectric film constituents, due to the amorphous nature of the films was also evaluated, but the results of the investigation of this contribution were inconclusive. Herein, the role of accumulation/depletion layers on capacitance enhancement was also analyzed. For capacitors fabricated with thinner dielectrics, the presence of these layers can effectively reduce the dielectric thickness, resulting in contributions to capacitance that are significant. The calculations completed suggest these contributions may be more important than fringing field contributions. Additional studies of these mechanisms are in progress.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Effect of the filler morphology on the crystallization behavior and dielectric properties of the polyvinylidene fluoride‐based composite

Abstract Ceramic/polymer composites can be chemically stable, mechanically strong, and flexible, which make them candidates for electric devices, such as pressure or temperature sensors, energy storage or harvesting devices, actuators, and so forth. Depending on the application, various electrical properties are of importance. Polymers usually have low dielectric permittivity, but increased dielectric permittivity can be achieved by the addition of the ceramic fillers with high dielectric constant. With the aim to enhance dielectric properties of the composite without loss of flexibility, 5 wt% of BaTiO 3 ‐Fe 2 O 3 powder was added into a polyvinylidene fluoride matrix. The powder was prepared by different synthesis conditions to produce core/shell structures. The effect of the phase composition and morphology of the BaTiO 3 ‐Fe 2 O 3 core/shell filler on the structure and lattice dynamics of the polymer composites was investigated. Based on the results of the thermal analysis, various parameters of ceramic/polymer composites were determined. Differences in the phase composition and morphology of the filler have an influence on the formation of various polyvinylidene fluoride allomorphs and the degree of crystallinity. Furthermore, the dielectric performances of pure polyvinylidene fluoride and the polymer/ceramic composites were measured.

Polymer Science↗
DOE OSTI2020

Surface Tension of Dielectric–Air Interfaces

Analytical and semianalytical expressions for the surface tension of dielectric–air interfaces are presented after considering local and nonlocal dielectric effects near interfaces. It is shown that the nonlocal effects of dielectrics are significant for highly polar dielectric fluids such as water. Far from the interface, nonlocal dielectric effects are shown to cause not only the oscillatory potential of the mean force but also a reversal of sign at intermediate distances.

42 ENGINEERING↗
DOE OSTI2020

A native oxide high-κ gate dielectric for two-dimensional electronics

Silicon-based transistors are approaching their physical limits and thus new high-mobility semiconductors are sought to replace silicon in the microelectronics industry. Both bulk materials (such as silicon-germanium and III–V semiconductors) and low-dimensional nanomaterials (such as one-dimensional carbon nanotubes and two-dimensional transition metal dichalcogenides) have been explored, but, unlike silicon, which uses silicon dioxide (SiO 2 ) as its gate dielectric, these materials suffer from the absence of a high-quality native oxide as a dielectric counterpart. This can lead to compatibility problems in practical devices. Here, we show that an atomically thin gate dielectric of bismuth selenite (Bi 2 SeO 5 ) can be conformally formed via layer-by-layer oxidization of an underlying high-mobility two-dimensional semiconductor, Bi 2 O 2 Se. Using this native oxide dielectric, high-performance Bi 2 O 2 Se field-effect transistors can be created, as well as inverter circuits that exhibit a large voltage gain (as high as 150). The high dielectric constant (~21) of Bi 2 SeO 5 allows its equivalent oxide thickness to be reduced to 0.9 nm while maintaining a gate leakage lower than thermal SiO 2 . The Bi 2 SeO 5 can also be selectively etched away by a wet chemical method that leaves the mobility of the underlying Bi 2 O 2 Se semiconductor almost unchanged.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

On the use of dielectric elements in axion searches with microwave resonant cavities

This study explores the primary effects of dielectric materials in a resonant cavity-based search for axion dark matter. While dielectrics prove beneficial in numerous cases, their incorporation may lead to less-than-optimal performance, especially for the lowest TM mode. Additionally, the stronger confinement of the electric field inside the dielectrics can exacerbate mode mixings, in particular for higher-order modes. Case studies have been carried out using a combination of analytical solutions and numerical simulations. The findings indicate dielectric cavities employing the TM 010 mode experience a significant reduction in sensitivity when compared to a similar search conducted in a cavity at equivalent frequency using no dielectrics.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Exploring dielectric properties in atomistic models of amorphous boron nitride

Abstract We report a theoretical study of dielectric properties of models of amorphous Boron Nitride, using interatomic potentials generated by machine learning. We first perform first-principles simulations on small (about 100 atoms in the periodic cell) sample sizes to explore the emergence of mid-gap states and its correlation with structural features. Next, by using a simplified tight-binding electronic model, we analyse the dielectric functions for complex three dimensional models (containing about 10.000 atoms) embedding varying concentrations of sp 1 , sp 2 and sp 3 bonds between B and N atoms. Within the limits of these methodologies, the resulting value of the zero-frequency dielectric constant is shown to be influenced by the population density of such mid-gap states and their localization characteristics. We observe nontrivial correlations between the structure-induced electronic fluctuations and the resulting dielectric constant values. Our findings are however just a first step in the quest of accessing fully accurate dielectric properties of as-grown amorphous BN of relevance for interconnect technologies and beyond.

Materials Science↗
DOE OSTI2024

Acceptor-Induced Bulk Dielectric Loss in Superconducting Circuits on Silicon

The performance of superconducting quantum circuits is primarily limited by dielectric loss due to interactions with two-level systems (TLSs). State-of-the-art circuits with engineered material interfaces are approaching a limit where dielectric loss from bulk substrates plays an important role. However, a microscopic understanding of dielectric loss in crystalline substrates is still lacking. In this work, we show that boron acceptors in silicon constitute a TLS bath that leads to an energy dissipation channel for superconducting circuits. We discuss how the electronic structure of boron acceptors leads to an effective TLS response in silicon. We sweep the boron concentration in silicon and demonstrate the bulk dielectric loss limit from boron acceptors. We show that boron-induced dielectric loss can be reduced in a magnetic field due to the spin-orbit structure of boron. This work provides the first detailed microscopic description of a TLS bath for superconducting circuits and demonstrates the need for ultrahigh-purity substrates for next-generation superconducting quantum processors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

A Reconfigurable Planar Capacitor Sensor for Thru the Jacket Dielectric Constant Measurement of Cable Insulation

Planar capacitor sensors have been proposed to measure the aging-related dielectric constant variation of the jacket or insulation materials of cables. Although capacitor sensors have been used to monitor the aging of cable insulation by removing the jacket, through the jacket measurement of cable insulation dielectric constant variation is difficult because once the sensor is placed on the jacket it would either measure the aging of the jacket or that of the jacket and insulation together. A reconfigurable sensor along with innovative cable-specific models could be used to determine the jacket and insulation aging using the same sensor. For the proposed novel reconfigurable sensor, the electric field penetration depth is changed by activating and deactivating PIN diode switches. In one instance, the sensor measures the dielectric constant variation of the jacket, while in the next, it measures the dielectric constant variation of both the jacket and the insulation. Here, by leveraging previously developed capacitance estimation models from large-scale finite element simulations for a specific cable, these two sets of measurement data are used to evaluate the aging-related dielectric constant variation of the insulation. Experimental data from aged cable specimens are presented to demonstrate the operation of the sensor.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Control of second-harmonic generation in all-dielectric intersubband metasurfaces by controlling the polarity of χ (2)

All-dielectric metasurfaces have recently led to a paradigm shift in nonlinear optics as they allow for circumventing the phase matching constraints of bulk crystals and offer high nonlinear conversion efficiencies when normalized by the light-matter interaction volume. Unlike bulk crystals, in all-dielectric metasurfaces nonlinear conversion efficiencies primarily rely on the material nonlinearity, field enhancements, and the modal overlaps, therefore most efforts to date have only focused on utilizing these degrees of freedom. In this work, we demonstrate that for second-harmonic generation in all-dielectric metasurfaces, an additional degree of freedom is the control of the polarity of the nonlinear susceptibility. We demonstrate that semiconductor heterostructures that support resonant nonlinearities based on quantum-engineered intersubband transitions provide this new degree of freedom. We can flip and control the polarity of the nonlinear susceptibility of the dielectric medium along the growth direction and couple it to the Mie-type photonic modes. Here we demonstrate that engineering the χ (2) polarity in the meta-atom enables the control of the second-harmonic radiation pattern and conversion efficiency. Our results therefore open a new direction for engineering and optimizing second-harmonic generation using all-dielectric intersubband nonlinear metasurfaces.

42 ENGINEERING↗
DOE OSTI2021

Investigating the dielectric properties of barium titanate nanocomposites using transmission electron microscopy image processing

Abstract Barium titanate (BTO) is a ferroelectric perovskite material used in energy storage applications because of its high dielectric constant. A previous study showed that the dielectric constant for BTO nanoparticles drastically increases to over 15,000 at a particle size of 70 nm. This result is highly contested, but its implications to energy storage motivated our investigation into the dielectric constants of BTO nanoparticles that are incorporated into a polymer matrix. We developed a novel method of using image processing techniques on transmission electron microscope images of BTO-polymer nanocomposites. Data on the positions, shapes, sizes, and orientations of BTO nanoparticles were used to build more realistic computational models that simulate the dielectric behavior of the nanocomposites. Here, we investigate the relationship between regions of enhanced electric field and the composite dielectric constant.

36 MATERIALS SCIENCE↗
DOE OSTI2021

PIC Simulations of One-side Multipactor on Dielectric

Breakdown of dielectric RF windows is an important issue for particle accelerators and high-power RF sources. One of the generally considered reasons for the RF windows failure is the multipactor on dielectric surface. The multipactor may be responsible for excessive heating of dielectric and discharge of charges that accumulated in ceramic due to secondary emission. In this study the comprehensive self-consistent PIC simulations with space charge effect were performed in order to better understand the dynamic of one-side multipactor development and floating potential on dielectric induced by the emission. The important correlations between the multipactor parameters at saturation and the secondary emission properties of dielectric and the applied RF field parameters were found and are reported in the paper.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Progress in High-Dielectric Constant Materials

The relative permittivity of a material is a scaling factor for capacitors and the devices based upon them; the larger the relative permittivity, the greater the degree of miniaturization, or potential for energy storage. Materials with a relative permittivity than that of silicon nitride (approximately 7) are referred to as high-dielectric constant materials. Values of about 100 are typical in titanium dioxide rutile. Values of about 10,000 are observed in barium titanate in the region of the ferroelectric transition, which while impressive, is not very useful due to the strong temperature dependence. The observation of a relative permittivity of over 100,000 in the calcium copper titanate material sparked considerable interest because it showed little temperature dependence between 100 and 600 K over most of the radio-frequency range. Further investigation revealed that this material appears to be naturally nanotextured and that the colossal permittivity was likely due to the surface and/or internal barrier layer capacitance effect, although the issue is not settled. Unfortunately, the dielectric losses in this class materials are relatively high. A new strategy to achieve high dielectric permittivity with low loss involves using localized lattice defect states through ambipolar co-doping; these intrinsic defect complexes give rise to strong dipoles that are responsible for a relative permittivity of 10,000 with exceptionally low dielectric losses over most of the radio frequency range and excellent thermal stability.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗