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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS2012

In-Situ Wire Damage Detection System

An In-Situ Wire Damage Detection System (ISWDDS) has been developed that is capable of detecting damage to a wire insulation, or a wire conductor, or to both. The system will allow for realtime, continuous monitoring of wiring health/integrity and reduce the number of false negatives and false positives while being smaller, lighter in weight, and more robust than current systems. The technology allows for improved safety and significant reduction in maintenance hours for aircraft, space vehicles, satellites, and other critical high-performance wiring systems for industries such as energy production and mining. The integrated ISWDDS is comprised of two main components: (1) a wire with an innermost core conductor, an inner insulation film, a conductive layer or inherently conductive polymer (ICP) covering the inner insulation film, an outermost insulation jacket; and (2) smart connectors and electronics capable of producing and detecting electronic signals, and a central processing unit (CPU) for data collection and analysis. The wire is constructed by applying the inner insulation films to the conductor, followed by the outer insulation jacket. The conductive layer or ICP is on the outer surface of the inner insulation film. One or more wires are connected to the CPU using the smart connectors, and up to 64 wires can be monitored in real-time. The ISWDDS uses time domain reflectometry for damage detection. A fast-risetime pulse is injected into either the core conductor or conductive layer and referenced against the other conductor, producing transmission line behavior. If either conductor is damaged, then the signal is reflected. By knowing the speed of propagation of the pulse, and the time it takes to reflect, one can calculate the distance to and location of the damage.

Williams, Martha↗
NASA NTRS2009

Polyimide-Foam/Aerogel Composites for Thermal Insulation

Composites of specific types of polymer foams and aerogel particles or blankets have been proposed to obtain thermal insulation performance superior to those of the neat polyimide foams. These composites have potential to also provide enhanced properties for vibration dampening or acoustic attenuation. The specific type of polymer foam is denoted "TEEK-H", signifying a series, denoted H, within a family of polyimide foams that were developed at NASA s Langley Research Center and are collectively denoted TEEK (an acronym of the inventors names). The specific types of aerogels include Nanogel aerogel particles from Cabot Corporation in Billerica, MA. and of Spaceloft aerogel blanket from Aspen Aerogels in Northborough, MA. The composites are inherently flame-retardant and exceptionally thermally stable. There are numerous potential uses for these composites, at temperatures from cryogenic to high temperatures, in diverse applications that include aerospace vehicles, aircraft, ocean vessels, buildings, and industrial process equipment. Some low-temperature applications, for example, include cryogenic storage and transfer or the transport of foods, medicines, and chemicals. Because of thermal cycling, aging, and weathering most polymer foams do not perform well at cryogenic temperatures and will undergo further cracking over time. The TEEK polyimides are among the few exceptions to this pattern, and the proposed composites are intended to have all the desirable properties of TEEK-H foams, plus improved thermal performance along with enhanced vibration or acoustic-attenuation performance. A composite panel as proposed would be fabricated by adding an appropriate amount of TEEK friable balloons into a mold to form a bottom layer. A piece of flexible aerogel blanket material, cut to the desired size and shape, would then be placed on the bottom TEEK layer and sandwiched between another top layer of polyimide friable balloons so that the aerogel blanket would become completely encased in an outer layer of TEEK friable balloons. Optionally, the process could be further repeated to produce multiple aerogel-blanket layers interspersed with and encased by TEEK friable balloons.

Williams, Martha↗
DOE OSTI2020

Interdigital Capacitance Sensor for Cable Insulation Test and Monitoring

A substantial body of work suggests feasibility to measure cable jacket and insulation conditions using various forms of interdigital capacitance (IDC) sensors. The sensors can either be used to manually test local cable conditions or as permanently installed sensors. Eligible cables subject to these measurements do not include shielded cables but the set of candidate cables is expanded from only unjacketed cables by the ability to assess insulation condition through the jacket. Dual gap IDC sensors are confirmed to be able to sense the insulation condition beneath a polymer jacket and, moreover, the IDC is the only known way to assess the insulation condition through the jacket. PNNL has filed a patent for this approach and is exploring commercial partnerships to exploit IDC technology for actionable field measurements.

NDE, cable, IDC, capacitance, permittivity, insula↗
NASA NTRSDate not supplied

Balancing Manufacturability with Performance: Achieving Extrudable, High Thermal Conductivity, and Dielectrically Robust Thermoplastic Composites

Improved thermal management solutions for electrical insulation systems are a priority for increasing efficiency. Although polymeric electrical insulation is ubiquitous, it generally exhibits low thermal conductivities (κ ; 0.1 – 0.3 W/mK). High κ electrical insulation systems are desirable for several reasons including improved heat wicking. Polymer-ceramic composites offer a viable path towards increasing κ of electrical insulation systems. However, processing-induced anisotropic particle orientation can result in prohibitively high concentrations of high κ particles being required to achieve impactful improvements. This work evaluates the effectiveness of a double percolation approach and its impacts on extruded polymer composite insulation κ using polyimide (PI), polyphenylsulfone (PPSU), and hexagonal boron nitride (hBN). Thermoplastic composite blends of PI/PPSU exhibited a 15% improvement in composite κ at comparable loading levels of hBN relative to mono-polymer material systems. On the other hand, PI/PPSU/hBN composites exhibited lower dielectric strengths than either neat polymer/hBN composite. A trade-off between maximizing material κ and resultant processing and dielectric performances may exist when using a double percolation approach for thermoplastic composites.

Witold K. Fuchs↗
NASA NTRS2009

Lunar Module Wiring Design Considerations and Failure Modes

This slide presentation reviews the considerations for the design of wiring for the Lunar Module. Included are a review of the choice of conductors and insulations, the wire splicing (i.e., crimping, and soldering), the wire connectors, and the fabrication of the wire harnesses. The problems in fabrication include the wires being the wrong length, the damage due to the sharp edges, the requried use of temproary protective covers and inadequate training. The problems in the wire harness installation include damge from sharp eges, work on adjacent harnesses, connector damage, and breaking wires. Engineering suggestions from the Apollo-era in reference to the conductors that are reviewed include: the use of plated conductors, and the use of alloys for stronger wiring. In refernce to insulation, the suggestions from Apollo era include the use of polymer tape-wrap wire insulation due to the light weight, however, other types of modern insulation might be more cost-effective. In reference to wire splices and terminal boards the suggestions from the Apollo Era include the use of crimp splices as superior to solder splices, joining multiple wire to a common point using modular plug-ins might be more reliable, but are heavier than crimp splicing. For connectors, the lessons from the Apollo era indicate that a rear environmental seal that does not require additional potting is preferred, and pins should be crimped or welded to the incoming wires and be removable from the rear of the connector.

Interbartolo, Michael↗
NASA NTRS2005

NASA Tech Briefs, September 2005

Topivs include: Diamond-Coated Carbon Nanotubes for Efficient Field Emission; Improved Anode Coatings for Direct Methanol Fuel Cells; Advanced Ablative Insulators and Methods of Making Them; PETIs as High-Temperature Resin-Transfer-Molding Materials; Stable Polyimides for Terrestrial and Space Uses; Low-Density, Aerogel-Filled Thermal-Insulation Tiles; High-Performance Polymers Having Low Melt Viscosities; Nonflammable, Hydrophobic Aerogel Composites for Insulation; Front-Side Microstrip Line Feeding a Raised Antenna Patch; Medium-Frequency Pseudonoise Georadar; Facilitating Navigation Through Large Archives; Program for Weibull Analysis of Fatigue Data; Comprehensive Micromechanics-Analysis Code - Version 4.0; Component-Based Visualization System; Software for Engineering Simulations of a Spacecraft; LabVIEW Interface for PCI-SpaceWire Interface Card; Path Following with Slip Compensation for a Mars Rover; International Space Station Electric Power System Performance Code-SPACE; Software for Automation of Real-Time Agents, Version 2; Software for Optimizing Plans Involving Interdependent Goals; Computing Gravitational Fields of Finite-Sized Bodies; Custom Sky-Image Mosaics from NASA's Information Power Grid; ANTLR Tree Grammar Generator and Extensions; Generic Kalman Filter Software; Alignment Stage for a Cryogenic Dilatometer; Rugged Iris Mechanism; Treatments To Produce Stabilized Aluminum Mirrors for Cryogenic Uses; Making AlNx Tunnel Barriers Using a Low-Energy Nitrogen-Ion Beam; Making Wide-IF SIS Mixers with Suspended Metal-Beam Leads; Sol-Gel Glass Holographic Light-Shaping Diffusers; Automated Counting of Particles To Quantify Cleanliness; Phase Correction for GPS Antenna with Nonunique Phase Center; Compact Infrasonic Windscreen; Broadband External-Cavity Diode Laser; High-Efficiency Solar Cells Using Photonic-Bandgap Materials; Generating Solid Models from Topographical Data; Computationally Lightweight Air-Traffic-Control Simulation; Spool Valve for Switching Air Flows Between Two Beds; Partial Model of Insulator/ Insulator Contact Charging; Asymmetric Electrostatic Radiation Shielding for Spacecraft; and Reusable Hybrid Propellant Modules for Outer-Space Transport.

Source record↗
DOE OSTI2021

Quantifying Properties for a Mechanistic, Predictive Understanding of Aqueous Impact on Aging of Medium and Low Voltage AC and DC Cabling in Nuclear Power Plants

To address the gap in knowledge in understanding degradation in relevant service conditions, this project aimed to develop a mechanistic, predictive model of medium and low voltage cable failure based on the primary environmental degradation parameters of aqueous immersion time, temperature, and the oxidation extent. To do so, we took a two-fold approach toward evaluating degradation as related to the aqueous condition. First, we evaluated the chemical, mechanical, and electrical properties of polymers that comprise the cabling insulation under varied aqueous conditions at different temperatures. Secondly, we evaluated the performance of insulation materials under similar accelerated aging conditions in addition to the dielectric breakdown of the cabling under submersion conditions. Thermal oxidation and immersion of LDPE thin films were done using a Parr vessel and the extent of oxidation was monitored using the carbonyl index from ATR-FTIR spectrum, a ratio quantifying the carbonyl functionality produced on the LDPE film surface. Increasing the temperature, oxidation time, and oxygen pressure increased the water-vapor permeability and the carbonyl content. Thermogravimetric analysis of the films confirmed that there is indeed an initial weight loss of the smaller molecular weight molecules and volatiles. At higher temperatures, there is a secondary mass loss. Up to 70°C, the mass loss curves were similar until 80°C, when the aged films decreased at a much greater rate with respect to increasing temperature. This was seen in the 10, 50, 90% weight loss temperatures. The mechanical properties of sheet PP and HDPE as well as injection molded LDPE, HDPE, HDPP dog bones were plotted with respect to the time spent in the Parr vessel during thermal oxidation. For the sheet PP and HDPE, the UTS and the modulus of elasticity decreased while the elongation increased. The injection-molded LDPE, HDPE, and HDPP dog bones experienced a similar trend where the changes in the properties were within experimental uncertainty. This analysis of LDPE in dry and immersive oxygen-rich environments is an important baseline for future experiments looking at other degradation mechanisms. A predictive aging model for low-density polyethylene insulative cable housings was developed. This model revealed a combination of physical and chemical processes which lead to an increase in permeability and a decrease in strength of the insulator. In creating this predictive model, a gap of knowledge in the literature was revealed in two areas: understanding how the crystallinity of a polymer changes with time and visualizing the predicted pores formed through the insulator which leads to failure. Developing and using an adapted ATR-FTIR method, crystallinity was monitored and compared to bulk crystallinity found via DSC. Inhomogeneity in crystallinity changes were observed but the FTIR method but was found to be less reliable. Pore visualization was found utilizing electrical impedance spectroscopy saturated aged polyethylene films with synthesized citrate-capped gold nanoparticles, and chloroauric acid precursor. results indicate a decreasing impedance of the polyethylene films caused by the transport of ions through the film. SEM imaging was then performed for elemental analysis of the films and counter electrodes for the presence of ions. Chloride and gold ions were detected; however, no nanoparticles were found. This gives an estimated pore size of at least 0.3 nm through the aged film. Cyclic submergence of polyethylene and polypropylene in aqueous solutions of copper sulfate and Harrison’s solution were examined. It was discovered that aging in these mixed conditions and at 90°C did cause a small, yet significant increase to tensile strength for both unaged polyethylene and polypropylene. The PE and PP in cycled and submerged conditions did not have tensile strengths significantly different from dry-aged after 16 weeks. For both solutions, it was determined that capacitance increases with both water tree depth and cable temperature and is relatively independent of changing water tree AR. As for resistance, there is no apparent change between depth percentages of 10 and 80 for both solutions. This is because the water tree has not yet entered the conductor and thus there is no shorting current flowing through the tree yet. Between 80 and 100% water tree depth, it is observed that for both solutions there is a rapid decrease in resistance because the tree is now impacting the conductor shield and allowing shorting current to flow through it. The relationship between resistance and temperature was found to be inversed. As temperature increases, resistance decreases for both water tree solutions with distilled water having the most apparent difference across the range of temperatures simulated. With regards to water tree AR, resistance was found to be relatively independent at depth percentages of 10, 50, and 70, but there was some relationship at 100% depth for both solutions. At this depth, as water tree AR increased, resistance was found to also increase. Through the examination of voltage and electric field distribution plots, it was confirmed for EPR cables that increasing water tree depth leads to increasing distortion. The increase in shorting current at 100% depth for aqueous copper sulfate compared to distilled water was also visualized. Lastly, the relationship between shorting current and temperature for narrow water trees was visualized and validated using the distribution plots. This study has led to a better understanding of the effect of cable temperature, water tree solution, and geometry of the tree region on cable degradation. Furthermore, this study has documented simulation results of water tree degradation in EPR MV cables, which had been previously lacking in information. Future work in this area will add frequency into the mix and examine what effect it has on the rate of cable degradation as a result of water treeing. To compliment the work being carried by UMD on different polymer chemistries, harvested medium voltage (MV) cables were selected for accelerated aging study at ORNL. These medium voltage cables are representative of the vintages and materials that are currently in use at existing nuclear power plants (NPPs). These cables were immersed in water at 90°C and energized for a period of two years at elevated voltage. Partial discharge was measured during this period of time to track potential degradation. Unfortunately, due to the absence of failure, the extent of integration between the UMD techniques and the harvested MV insulation was limited. However, based on the findings and from the UMD research in the previous sections on polyethylene and polypropylene, follow-on characterization for harvested MV cable insulation should focus on sample preparation to take advantage of the UMD techniques to better understand mechanistic degradation in MV cable insulations. This would include: 1.) Utilization of solutions and impedance measurement insulation to track permeability in harvested and accelerated aging insulation samples, 2.) Adaptation of gold nanoparticle synthesis for electrical impedance spectroscopy with supporting SEM characterization to study pore formation in harvested and accelerated aged insulation samples, & 3.) ATR-FTIR crystallinity with multiple temperature dependent harvested MV cable insulation under different air and submerged accelerated aging. In addition, low voltage dielectric spectroscopy and high voltage dissipation factor, tan δ, could be implemented as a condition monitoring tool for harvested MV cable insulation in submerged environments.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS1988

Evaluation of flammability for cable-like polymers

A new test method is developed for the flammability of insulated electric cables as well as polymers formed in the cables. The rate of downward flame spread along the polymer surface is measured by a technique in which the flame is stopped at a particular position by winding up the cable at the same speed as the flame spreading rate, with external preheating by an electric furnace having oxidative gas flow. The polymer burns continuously without change of flame condition and the rate is obtained from the winding speed of the cable. A flame spread equation relates the flame spreading rate (V) of the cable-like polymer to O concentration (Yo) and the atmosphere, the preheating temperature, and the pyrolysis temperature for polymer burning. Plotting log V vs. log Yo for experimental results allows evaluation of the flammability of polymers, with discrimination between the effects of O concentration, heating temperature, and specimen shape. Results with various types of PVC electrical cable indicated the validity of the method. Application of the method to the cables in groups showed a flame retardation behavior different from the case of a single cable, in a atmosphere of high O concentration.

Mikado, Tuneo↗
NASA NTRS2019

Internal Electrostatic Discharge Testing of Inert Solid Rocket Motor Materials

Jupiter’s moon Europa is believed to have a global liquid-water ocean beneath its icy surface. As such, it is a highly interesting destination for explorers seeking signs of life outside of Earth. This interest has given rise to the Europa Lander Mission [Hand, et al., 2017]. The central goal of the Europa Lander Mission is to place a stationary lander on Europa and make surface and sub-surface measurements, dramatically improving understanding of this Jovian moon, and potentially detecting signs of life.Placing a lander on Europa will require multiple spacecraft elements deployed across a multi-year mission timeline. Some of the key elements include: a large payload capacity rocket, such as the Space Launch System (SLS), capable of providing direct Jupiter orbit insertion; a solar-powered carrier; a de-orbit system; a sky crane landing system; and, of course, the surface lander. A noteworthy fact is that the current design requires a large solid rocket motor to provide the necessary braking thrust for the de-orbit stage. While solid rocket motors have been used extensively by NASA during launch, in-space use has been limited. In addition to the normal challenges associated with a long-distance planetary mission, the Europa Lander Mission must also contend with the high-radiation environment associated with the Jovian system. The size of Jupiter, combined with its magnetic field strength, and rotation speed, result in a harsh radiation environment composed of high energy charged particles (ions and electrons) as well as high-temperature plasmas [de Soria-Santacruz Pich, 2016]. Due to this high-radiation environment, each component of the Europa Lander spacecraft must be evaluated to determine its radiation dose tolerance and its likelihood for experiencing electrostatic charging (and discharging). In general, metal components in a Jovian environment do not pose a concern for radiation degradation; in fact, metal structures and closeouts can act as radiation shielding for the more sensitive components. Charging of a metal component is only an issue if the component is not properly grounded to the spacecraft chassis. However, electrically insulating materials, such as polymers, are subject to radiation degradation as well as surface and internal charging, and therefore require extra scrutiny. The focus of this paper will be on the insulating materials that are commonly used inside solid rocket motors. The special application of a solid rocket motor used in space after a relatively long duration flight, combined with the high energy electron environment in the Jovian system, raises concerns about the possibility of significant charging and discharging leading to reduced performance.

Schneider, Todd A.↗
NASA NTRS1984

Electrical research on solar cells and photovoltaic materials

The flat-plate solar cell array program which increases the service lifetime of the photovoltaic modules used for terrestrial energy applications is discussed. The current-voltage response characteristics of the solar cells encapsulated in the modules degrade with service time and this degradation places a limitation on the useful lifetime of the modules. The most desirable flat-plate array system involves solar cells consisting of highly polarizable materials with similar electrochemical potentials where the cells are encapsulated in polymers in which ionic concentrations and mobilities are negligibly small. Another possible mechanism limiting the service lifetime of the photovoltaic modules is the gradual loss of the electrical insulation characteristics of the polymer pottant due to water absorption or due to polymer degradation from light or heat effects. The mechanical properties of various polymer pottant materials and of electrochemical corrosion mechanisms in solar cell material are as follows: (1) electrical and ionic resistivity; (2) water absorption kinetics and water solubility limits; and (3) corrosion characterization of various metallization systems used in solar cell construction.

Orehotsky, J.↗
DOE OSTI2025

Experimental characterization and potential energy savings of insulated cladding for U.S. residential buildings

This study evaluates a novel insulated cladding composed of foamed cement and vinyl siding that is designed as a retrofit product to enhance thermal performance in U.S. residential buildings. Experimental measurements showed that foamed cement exhibits a thermal conductivity of 0.0334–0.0365 W/m-K (R-value of 4.0–4.3 °F⋅ft 2 ⋅h/BTU), which is significantly higher than that of conventional fiber cement boards. Although mechanical testing confirmed the material’s brittleness and low strength, it also indicated its suitability for nonstructural insulation applications. Water vapor permeability testing demonstrated effective moisture resistance with the polymer coating. To evaluate the insulated cladding’s energy performance, we used the U.S. Department of Energy’s prototype single-family building model and simulated across 50 locations spanning 16 International Energy Conservation Code climate zones. The R-7 (R-value of 7 °F⋅ft 2 ⋅h/BTU per inch) retrofit cladding resulted in heating energy savings up to 275 therms (Fairbanks, AK) and cooling energy savings up to 1,547 kWh (Phoenix, AZ). The energy cost savings varied by region, but the highest annual cost savings ($\$$434/year) were observed in Santa Maria, CA, and the highest annual cost savings percentage (37 %) were noted in Monterey, CA. On a national scale, the insulated retrofit provided an average annual energy cost reduction of 16 %, highlighting the cladding system’s broad applicability and financial viability.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Presynthetic Redox Gated Metal-to-Insulator Transition and Photothermoelectric Properties in Nickel Tetrathiafulvalene-Tetrathiolate Coordination Polymers

Photothermoelectric (PTE) materials are promising candidates for solar energy harvesting and photodetection applications, especially for near-infrared (NIR) wavelengths. Although the processability and tunability of organic materials are highly advantageous, examples of organic PTE materials are comparatively rare and their PTE performance is typically limited by poor photothermal (PT) conversion. Here, we report the use of redox-active Sn complexes of tetrathiafulvalene-tetrathiolate (TTFtt) as transmetalating agents for the synthesis of presynthetically redox tuned NiTTFtt materials. Unlike the neutral material NiTTFtt, which exhibits n-type glassy-metallic conductivity, the reduced materials Li 1.2 Ni 0.4 [NiTTFtt] and [Li(THF) 1.5 ] 1.2 Ni 0.4 [NiTTFtt] (THF = tetrahydrofuran) display physical characteristics more consistent with p-type semiconductors. The broad spectral absorption and electrically conducting nature of these TTFtt-based materials enable highly efficient NIR-thermal conversion and good PTE performance. Furthermore, in contrast to conventional PTE composites, these NiTTFtt coordination polymers are notable as single-component PTE materials. As a result, the presynthetically tuned metal-to-insulator transition in these NiTTFtt systems directly modulates their PT and PTE properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2011

PICA Variants with Improved Mechanical Properties

Phenolic Impregnated Carbon Ablator (PICA) is a member of the family of Lightweight Ceramic Ablators (LCAs) and was developed at NASA Ames Research Center as a thermal protection system (TPS) material for the Stardust mission probe that entered the Earth s atmosphere faster than any other probe or vehicle to date. PICA, carbon fiberform base and phenolic polymer, shows excellent thermal insulative properties at heating rates from about 250 W/sq cm to 1000 W/sq cm. The density of standard PICA - 0.26 g/cu cm to 0.28 g/cu cm - can be changed by changing the concentration of the phenolic resin. By adding polymers to the phenolic resin before curing it is possible to significantly improve the mechanical properties of PICA without significantly increasing the density.

Thornton, Jeremy↗
NASA NTRS1985

Dielectric material in the space environment

The irradiation encountered in space environments causes high insulation materials to discharge, either through electrical breakdown or surface voltage effect mechanisms. Attention is presently given to polymers which, serving as 'leaky' insulators, avoid this problem by means of conduction mechanisms that are acceptable in space applications. The class of conductive polymers encompasses polyvinylcarbazole, polyacrylonitrile, Kapton, and polythiazil. A testing procedure useful in the qualification of such polymers is outlined.

Frederickson, A. R.↗
NASA NTRS2009

Multiscale Computer Simulation of Tensile and Compressive Strain in Polymer- Coated Silica Aerogels

While the low thermal conductivities of silica aerogels have made them of interest to the aerospace community as lightweight thermal insulation, the application of conformal polymer coatings to these gels increases their strength significantly, making them potentially useful as structural materials as well. In this work we perform multiscale computer simulations to investigate the tensile and compressive strain behavior of silica and polymer-coated silica aerogels. Aerogels are made up of clusters of interconnected particles of amorphous silica of less than bulk density. We simulate gel nanostructure using a Diffusion Limited Cluster Aggregation (DLCA) procedure, which produces aggregates that exhibit fractal dimensions similar to those observed in real aerogels. We have previously found that model gels obtained via DLCA exhibited stress-strain curves characteristic of the experimentally observed brittle failure. However, the strain energetics near the expected point of failure were not consistent with such failure. This shortcoming may be due to the fact that the DLCA process produces model gels that are lacking in closed-loop substructures, compared with real gels. Our model gels therefore contain an excess of dangling strands, which tend to unravel under tensile strain, producing non-brittle failure. To address this problem, we have incorporated a modification to the DLCA algorithm that specifically produces closed loops in the model gels. We obtain the strain energetics of interparticle connections via atomistic molecular statics, and abstract the collective energy of the atomic bonds into a Morse potential scaled to describe gel particle interactions. Polymer coatings are similarly described. We apply repeated small uniaxial strains to DLCA clusters, and allow relaxation of the center eighty percent of the cluster between strains. The simulations produce energetics and stress-strain curves for looped and nonlooped clusters, for a variety of densities and interaction parameters.

Good, Brian↗
DOE OSTI2023

Mechanisms Controlling the Energy Barrier for Ion Hopping in Polymer Electrolytes

Here, the present work studies the mechanisms controlling the energy barrier for ion hopping in conducting polymers. Polymer electrolytes usually show Arrhenius-like temperature dependence of the conductivity relaxation time (characteristic time of local ion rearrangements) at temperatures below their glass transition T g . However, our analysis reveals that the Arrhenius fit of this regime leads to unphysically small prefactors, τ 0 $\ll$ 10 –13 s. Imposing a value of 10 –13 s for this parameter renders the fairly unexpected result that the energy barrier for charge transport in these polymers has strong temperature dependence even below T g . Our study also reveals significant temperature variations of the dielectric permittivity and the instantaneous shear modulus in the glassy state of these polymers. Using the Anderson and Stuart model, we demonstrate that these variations provide strong justifications for the temperature variation of energy barrier for ion hopping. Most importantly, the proposed approach reveals that the energy barrier controlling ion hopping in polymer electrolytes is significantly (~30–40%) lower than that estimated using traditional Arrhenius fit. These new insights call for revisions of many earlier results based on apparent Arrhenius fits, and the newly proposed approach can provide more accurate guidance for the design of solid-state electrolytes with enhanced ionic conductivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗