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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Polarity-dependence of the nonlinear dielectric response in interfacial water

Molecular dynamics simulations are used to study the nonlinear dielectric responses of a confined aqueous film in a planar nanopore under perpendicular electric fields at varied voltages between confining graphene sheets. Dielectric saturation reminiscent of the bulk phase behavior is prevalent at very strong fields, whereas we observe a nonmonotonic permittivity dependence on the electric field at intermediate strengths where field-alignment and spontaneous polarization of interfacial water are of comparable magnitude. The coupling between the two effects results in distinct dielectric responses at opposite confinement walls. The normal component of both the differential dielectric constant and dielectric difference constant tensors averaged over the region closer to the wall under an incoming electric field (field pointing from the liquid to the solid phase) initially increases with the strength of the imposed field. The differential permittivity peaks at a field strength previously shown to offset the surface-induced orientation bias of hydration molecules at this wall. Further strengthening of the field results in a conventional saturation behavior. At the opposite wall (subject to outgoing field) and in the central region of the water slab, the nonlinear dielectric response resembles bulklike saturation. The conditions at the permittivity extremum coincide with the window of accelerated reorientation rates of interfacial water molecules under an incoming field we uncovered in earlier molecular dynamics analyses.

Chemistry↗
DOE OSTI2023

Resonant dynamics of one-side multipactor on dielectric

Breakdown of dielectric radio frequency (RF) windows is an important issue for particle accelerators and high-power RF sources. One of the common reasons for RF window failure is the multipactor on a dielectric surface. The multipactor may be responsible for excessive heating of the dielectric and discharge of charges that accumulated in the ceramic due to secondary emission. In this study, comprehensive self-consistent particle-in-cell simulations with space charge effect were performed. This was to better understand the dynamic of one-side multipactor development and floating potential on the dielectric induced by the emission. The important correlations between the multipactor parameters at saturation, the secondary emission properties of dielectric, and the applied RF field parameters have been found, which led to the conclusion that the dynamics of one-side multipactor on dielectric is a resonant phenomenon.

43 PARTICLE ACCELERATORS↗
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 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 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 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 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 OSTI2023

Phase-field simulation of domain size effect on dielectric and piezoelectric responses in K 0.5 Na 0.5 NbO 3 epitaxial thin films with superdomain structures

Size effects of mesoscale ferroelectric domains on the macroscopic dielectric and piezoelectric responses in domain-engineered bulk piezocrystals have been extensively studied for more than two decades. However, less is known about the domain size effects in ferroelectric epitaxial thin films, especially for films consisting of low-symmetry ferroelectric phases and exhibits hierarchical superdomain structures. Herein, using phase-field simulations, we systemically evaluate the effective out-of-plane dielectric and piezoelectric coefficients, κ$^{*}_{33}$ and d$^{*}_{33}$, as a function of the domain periods for two types of superdomain structures in ferroelectric K 0.5 Na 0.5 NbO 3 epitaxial thin films. In one type of the superdomain structures, we find that more than 70% increase of κ$^{*}_{33}$ and nearly 20% increase of d$^{*}_{33}$ can be achieved by tuning the domain period by a few tens of nanometers. Dissimilar behaviors are found when the domain period varies along different lateral directions, suggesting anisotropic domain size effects in thin films. By analyzing the local dielectric and piezoelectric responses from each domain variants and domain walls, we reveal that the domain size effect is governed by the variation of out-of-plane polarization inside the domains. Moreover, we also demonstrate enhanced domain size effects by modulating the misfit strains and temperature to approach the polymorphic phase boundaries, suggesting tunability of the size effect by doping and strain engineering. Furthermore, our results reveal multimodal domain size dependence of dielectric and piezoelectric responses in low-symmetry ferroelectric epitaxial thin films, implying that domain size engineering can be used to tune macroscopic properties of thin-film ferroelectrics, similar to their bulk counterparts.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Pressure-induced structural and dielectric changes in liquid water at room temperature

Understanding the pressure-dependent dielectric properties of water is crucial for a wide range of scientific and practical applications. In this study, we employ a deep neural network trained on density functional theory data to investigate the dielectric properties of liquid water at room temperature across a pressure range of 0.1–1000 MPa. We observe a nonlinear increase in the static dielectric constant ɛ 0 with increasing pressure, a trend that is qualitatively consistent with experimental observations. This increase in ɛ 0 is primarily attributed to the increase in water density under compression, which enhances collective dipole fluctuations within the hydrogen-bonding network as well as the dielectric response. Despite the increase in ɛ 0 , our results reveal a decrease in the Kirkwood correlation factor G K with increasing pressure. Furthermore, this decrease in G K is attributed to pressure-induced structural distortions in the hydrogen-bonding network, which weaken dipolar correlations by disrupting the ideal tetrahedral arrangement of water molecules.

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

Measurement of Dielectric Loss in Silicon Nitride at Centimeter and Millimeter Wavelengths

This work presents a suite of measurement techniques for characterizing the dielectric loss tangent across a wide frequency range from similar to 1 GHz to 150 GHz using the same test chip. In the first method, we fit data from a microwave resonator at different temperatures to a model that captures the two-level system (TLS) response to extract and characterize both the real and imaginary components of the dielectric loss. The inverse of the internal quality factor is a second measure of the overall loss of the resonator, where TLS loss through the dielectric material is typically the dominant source. The third technique is a differential optical measurement at 150 GHz. The same antenna feeds two microstrip lines with different lengths that terminate in two microwave kinetic inductance detectors (MKIDs). The difference in the detector response is used to estimate the loss per unit length of the microstrip line. Our results suggest a larger loss for SiNx at 150 GHz of tan delta similar to 4 x 10(-3) compared to 2.0 x 10(-3) and greater than or similar to 1 x 10(-3) measured at similar to 1 GHz using the other two methods. These measurement techniques can be applied to other dielectrics by adjusting the microstrip lengths to provide enough optical efficiency contrast and other mm/sub-mm frequency ranges by tuning the antenna and feedhorn accordingly.

Dielectrics loss↗
DOE OSTI2024

Effect of Approach Speed and Electrode Geometry on Electrostatic Discharges Off Floating Dielectrics

With the damaging effects of electrostatic discharges (ESDs), it is important to study them within various parameter regimes relevant to real-world scenarios. One such scenario studied here is a floating dielectric with no nearby ground plane with a grounded object approaching at a high rate of speed. One may encounter this scenario when moving objects by hand. Discharge current and radiated fields are captured for discharges drawn from polytetrafluoroethylene (PTFE) and poly methyl methacrylate (PMMA) with approach speeds ranging from 20 to 100 mm/s. Previous studies have shown that at lower speeds in metal-to-metal or metal-to-ground backed dielectric geometries, the peak current and discharge distance decrease with increasing speed. However, in the speed range studied here, an increase in distance and current are observed for increasing speed. Namely, the highest speeds coincide with the highest peak currents and discharge distances of approximately 800 mA and up to 24 mm. Further, with no grounded backing, as opposed to setups in other ESD studies, the electric field between the dielectric and an approaching electrode has a more uniform distribution with highest fields at the electrode, which is elucidated to be the driving factor in the differences revealed in this study. Two spheres of differing diameters and a conical electrode are used to draw discharges off the dielectric surfaces. Captured radiated fields via B-dot sensor, plasma imagery via intesified charge-coupled device (ICCD), and mapping of surface potential reveal that a majority of the energy lost during a discharge goes to gas losses and radiated fields.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Recent trends in all-organic polymer dielectrics for high-temperature electrostatic energy storage capacitors

Electrostatic energy storage (EES) capacitors are critical for renewable energy and high-power systems, driving the search for dielectric materials that combine superior electrical insulation, mechanical flexibility, low density, cost-effectiveness, and processability. Polymer-based dielectrics have emerged as leading candidates, particularly for high electric field applications. However, conventional polymers often fail to meet the demands of high-temperature environments due to increased electrical conductivity and reduced discharged energy density at elevated temperatures, resulting in energy loss and reduced performance. High glass transition temperature (T g) polymers show promise but require further optimization to enhance their energy storage capabilities under thermal and electrical stress. This review provides a comprehensive update on recent advancements in high-T g polymer-based dielectrics for EES capacitors, focusing on both intrinsic polymers and all-organic composites. It outlines key design principles, critical performance parameters, and innovative strategies—such as nanofiller doping, layered architectures, physical blending, and chemical crosslinking—to improve electrical, thermal, and mechanical properties. The review also highlights emerging trends, including the integration of machine learning algorithms to explore novel polymer structures and expand the chemical design space. By bridging the gap between academic research and industrial application, this review aims to accelerate the development of next-generation dielectric materials capable of balancing multiple performance metrics for high-temperature EES capacitors.

Xie, Zongliang↗
DOE OSTI2023

The Influence of Nonlocal Metal–Dielectric Environments on Physical and Chemical Processes

Plasmonic nanolayers and laminar metallic/dielectric multilayers were originally developed for optical cloaking applications and lensing applications that could potentially image objects whose size was below the diffraction limit. These assemblies were initially formed from gold or silver nanorods grown within an alumina mesh. However, more recently, assemblies with similar properties have also been prepared by sequential thin-layer deposition of alternating layers of gold and magnesium fluoride (MgF 2 ). These metal/dielectric composite materials enable control of the dielectric constant in the directions perpendicular to the layers and balance the real and imaginary dielectric constants of the assembly such that the speed and the amplitude of the waves traveling through the assembly are not attenuated. In this Account, we will also focus on a few of the applications ranging from surface wetting to fluorescence quenching to enhancement of photochemical reactions. First, we will share an introduction to processes used to create these materials, which are combinations of low refractive index metals and transparent higher index materials arranged in a scalable repeating fashion. Two fabrication methods were employed: an electrochemical deposition of Ag nanorods into an anodized alumina matrix which produced materials with an anisotropic negative refractive index material within the plane of the film and lamellar metal/dielectric layers in which the negative index perpendicular to the growth direction. These alternating layers of plasmonic metals and dielectric materials were ultimately chosen to prepare films for further testing, because of their relative ease of fabrication. We will continue with a discussion of a few of the applications of both of these nonlocal dielectric composite materials including more specialized plasmonic, composite, and hyperbolic metamaterials including fluorescence quenching, photochemical reactions, and surface wetting. In each of these applications, the unique response caused by the enhancement of the electric field and the interface between hyperbolic materials and plasmonic materials as they interact photophysically with their near neighbors is presented. In each of the applications, the enhanced electric field extends from the composite substrate layer to interact with its near neighbors and beyond. Furthermore, the presence of this extended interaction can be observed in the form of decreased emission lifetime, enhancement of photochemical reaction rates, and changes in the surface energies measured by contact angle goniometry. In this Account, all of these situations will be addressed. Finally, we will conclude with a summary and vision for the future as well as a discussion of the unique challenges and opportunities available as research active faculty at an HBCU.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Millimeter-wave dielectric tunability driven by topological polar structure switching in PbTiO 3 /SrTiO 3 superlattices

Dielectric tunability induced by an external electric field in materials underpins radio frequency signal modulation devices such as phase shifters, which are critical components in wireless communication and sensing systems. However, the tunability and integrability of current devices have yet to be enhanced for emerging applications, particularly at millimeter-wave frequencies. Here, we demonstrate that topological polar structures formed in PbTiO 3 /SrTiO 3 superlattices exhibit large tunable in-plane dielectric properties, as determined by their multiscale structural configurations and polarization switching behaviors. Under a moderate field of 30 kV cm −1 , the dipole wave structure maintains a tunability exceeding 15% at 70 GHz and above 8% over the measured range up to 110 GHz, contrasting with the weakly tunable flux closure structure. Based on in situ structural characterizations and molecular dynamics simulations, we delineate the polarization switching processes and elucidate the mechanisms underlying the observed tunable millimeter-wave dielectric responses. Our results provide new insights into the high-frequency dielectric properties of topological polar phases, potentially broadening the versatility of these materials in next-generation integrated electronic applications.

36 MATERIALS SCIENCE↗