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DOE OSTI2026

Tuning Thermal Stability through Dopant Size in Chemically Doped DPP–Thiophene Polymers

Molecular doping of conjugated polymers (CPs) is a key strategy for improving the performance of organic electronics devices, particularly thermoelectrics. Doped donor–acceptor (D–A) conjugated polymers, characterized by a tunable energy gap between the Fermi level and the transport band, show great promise in achieving high electrical conductivity (σ) while preserving a favorable Seebeck coefficient (S). Despite the promising performance enhancement of chemically doped D–A polymers, their thermal stability remains largely underexplored, a crucial consideration for the long-term operation of organic thermoelectric devices. In this study, we investigated the dopant size-dependent thermal stability of a diketopyrrolopyrrole-thiophene (DPP-T) D–A copolymer, utilizing two p-dopants: 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F 4 TCNQ) and Mo(tfd-CO 2 Me) 3 . Temperature-dependent UV–vis–NIR spectroscopy revealed that DPP-T/F 4 TCNQ is more prone to dedoping under a high temperature thermal stress than DPP-T/Mo(tfd-CO 2 Me) 3 . Although the F 4 TCNQ doped polymer shows higher initial in-plane conductivity than its Mo(tfd-CO 2 Me) 3 counterpart, it undergoes a conductivity loss of more than an order of magnitude after annealing at 120 °C for 30 min. In contrast, the in-plane conductivity of DPP-T/Mo(tfd-CO 2 Me) 3 remains stable under the same thermal conditions. Thermogravimetric analysis ruled out dopant sublimation as a primary contributor to dedoping, leading us to attribute the conductivity loss in F 4 TCNQ-doped DPP-T to dopant phase separation and migration. This observation was further confirmed by X-ray scattering studies and nanoscale infrared microscopy and spectroscopy studies. This work could provide further insights into the thermal stability of doped conjugated polymers and suggests that incorporating bulkier dopants is an effective strategy to enhance the thermal robustness of doped DPP-type systems.

Conjugated polymers↗

DOE OSTI2024

Review of the second charged-particle transport coefficient code comparison workshop

We report the results of the second charged-particle transport coefficient code comparison workshop, which was held in Livermore, California on 24–27 July 2023. This workshop gathered theoretical, computational, and experimental scientists to assess the state of computational and experimental techniques for understanding charged-particle transport coefficients relevant to high-energy-density plasma science. Data for electronic and ionic transport coefficients, namely, the direct current electrical conductivity, electron thermal conductivity, ion shear viscosity, and ion thermal conductivity were computed and compared for multiple plasma conditions. Additional comparisons were carried out for electron–ion properties such as the electron–ion equilibration time and alpha particle stopping power. Overall, 39 participants submitted calculated results from 18 independent approaches, spanning methods from parameterized semi-empirical models to time-dependent density functional theory. In the cases studied here, we find significant differences—several orders of magnitude—between approaches, particularly at lower temperatures, and smaller differences—roughly a factor of five—among first-principles models. We investigate the origins of these differences through comparisons of underlying predictions of ionic and electronic structure. The results of this workshop help to identify plasma conditions where computationally inexpensive approaches are accurate, where computationally expensive models are required, and where experimental measurements will have high impact.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS2014

A Revised Calibration Function and Results for the Phoenix Mission TECP Relative Humidity Sensor

The original calibration function of the R(sub H) sensor on the Phoenix Thermal and Electrical Conductivity Sensor (TECP) has been revised in order to extend the range of the valid calibration, and to improve accuracy. The original function returned non-physical R(sub H) values at the lowest temperatures. To resolve this, and because the original calibration was performed against a pair of hygrometers that measured frost point (T(sub f)), the revised calibration equation is also cast in terms of frost point. Because of the complexity of maintaining very low temperatures and high R(sub H) in the laboratory, no calibration data exists at T is greater than 203K. However, sensor response during the mission was smooth and continuous down to 181 K. Therefore we have opted to include flight data in the calibration data set; selection was limited to data acquired during periods when the atmosphere is known to have been saturated. T(sub f) remained below 210 K throughout the mission(P is greater than 0.75 Pa). R(sub H), conversely, ranged from 1 to well under 0.01 diurnally, due to approximately 50 K temperature variations. To first order, both vapor pressure and its variance are greater during daylight hours. Variance in overnight humidity is almost entirely explained by temperature, while atmospheric turbulence contributes substantial variance to daytime humidity. Likewise, data gathered with the TECP aloft reflect higher H2O abundances than at the surface, as well as greater variance. There is evidence for saturation of the atmosphere overnight throughout much of the mission. In virtually every overnight observation, once the atmosphere cooled to T(sub f), water vapor begins to decrease, and tracks air temperature. There is no evidence for substantial decreases in water vapor prior to saturation, as expected for adsorptive exchange. Likewise, there is no evidence of local control of vapor by phases such as perchlorate hydrates hydrated minerals. The daytime average H2O pressure does not change substantially over the course of the mission, although the H2O column abundance varies by a factor of 2. Column abundances calculated from TECP data are lower than orbital measurements if one assumes that H2O is uniformly mixed through a single scale height. These results argue that the vertical distribution of H2O begins to change well in advance of surface concentrations as northern autumn approaches.

Phoenix Thermal and Electrical Conductivity Sensor↗

NASA NTRS1971

Room temperature measurements of electrical resistivity and thermal conductivity of various graphites

Room temperature thermal conductivity measurements were completed on 10 graphite samples selected from the lot of 120 to uniformly span the range of electrical resistivity values. From these data and other measurements a thermal conductivity-electrical conductivity correlation was established to predict room temperature thermal conductivity values for the graphite samples. The correlation, expressed by a parabolic equation, represents available thermal and electrical conductivity data to about + or - 8%.

Mcelroy, D. L.↗

DOE OSTI2026

Meteorological and Soil Data from Ecohydrology Sensor Towers at Pump House and Snodgrass Mountain in East River Watershed, Colorado, 2019-2025

This data package includes hourly meteorological and soil sensor data at eight ecohydrology monitoring sites in East River Watershed, Colorado as part of the Watershed Function Scientific Focus Area (WFSFA) research led by Lawrence Berkeley National Lab (LBNL). Four field sites were located on the hillslope of East River (ER) near Pump House (PH) at Mount Crested Butte (ER-PHS1 to 4), and the other four are in the Snodgrass Mountain (SG) area (SG-EHS5 to 8). In terms of vegetation cover, three sites are in montane grasslands (ER-PHS1, ER-PHS2, and SG-EHS5), three are below evergreen conifer canopy (ER-PHS3, SG-EHS6, and SG-EHS7), and two are below deciduous aspen canopy (ER-PHS4 and SG-EHS8). The monitoring period began in October 2019 at the East River sites, in October 2020 at SG-EHS5 and SG-EHS6, and in October 2021 at SG-EHS7 and SG-EHS8. In September 2024, all four East River sites were fully retired. The four Snodgrass Mountain sites remain active. Each site is equipped with a comprehensive suite of meteorological sensors on a tripod and soil sensors that measure weather, energy fluxes, and soil variables. This data package includes measurements from ten different types of sensors and up to thirteen individual sensors per site, including (1) a weather station (measurement height ranges from 2.8~3.8 meters (m) above ground), (2) a quantum sensor for photosynthetic active radiation (PAR) (2.4~3.3m), (3) a net radiometer (1.7~2.1m), (4) an infrared radiometer (1.6~2.2m), (5) a sonic distance sensor (1.5~1.9m), (6) a soil carbon dioxide (CO2) flux chamber (0m), (7) a soil heat flux plate (-0.05m below ground), (8) a soil oxygen sensor (-0.3m), (9) a soil water potential sensor (-0.3m), and (10) soil water content sensors at 3~4 depths (-1.15 ~ -0.1m). A total of twenty-three variables is reported in this data package, including (1) atmospheric variables: air temperature (TA), atmospheric pressure (PA), vapor pressure (VP), and vapor pressure deficit (VPD), (2) precipitation variables: rain precipitation (P) and snow depth (D_SNOW), (3) energy fluxes variables: four-component net radiation (NETRAD) (shortwave/longwave incoming/outgoing radiation, SW_IN, SW_OUT, LW_IN, LW_OUT), photosynthetic photon flux density (PPFD), and soil heat flux (G), (4) soil variables: soil water content (SWC), soil water potential (SWP), soil temperature (TS), soil bulk electrical conductivity (COND_SOIL), and soil gaseous oxygen concentration (O2_SOIL), (5) wind variables: two-dimensional wind speed (WS), gust speed (WS_MAX), and wind direction (WD), and (6) surface variables: surface infrared temperature (T_CANOPY) and soil CO2 flux (CO2_SOIL). Please see the Methods section for data processing and QA/QC steps taken to generate the hourly datasets. The following files are included in this data package (notes on version: v{x}-{y}, where x is the metadata version, and y is the data version, when applicable): (1) “metadata_site_v{x}-{y}.csv” - a site metadata file that summarizes location information of all sites, including site ID, description, coordinates, timeframe, elevation, and vegetation cover, (2) “metadata_instrument_v{x}-{y}.csv” - an instrument metadata file that summarizes sensor information of all sites, including sensor manufacturer and model, measurement height, and sampling and averaging interval of all variables, (3) "data_{SITE_ID}_v{x}-{y}.csv" - eight data files that contain hourly data of each site indicated by {SITE_ID} in the filename, (4) “/figure/data_{SITE_ID}_v{x}-{y}.png" - eight figures that help visualize data of each site indicated by {SITE_ID} in the filename, (5) “/photo/*” - photos of each site indicated by {SITE_ID} in the filename, and (6) four file level metadata (flmd.csv) and data dictionary (*_dd.csv) files that summarize file, header, column, and variable information of all files. Notes: (1) Measurement height: Each variable name is followed by conventional positional qualifiers “H_V_R”, where H indicates the relative horizontal positions of that specific variable, V the vertical positions, and R the replicates. In this data package, only the vertical qualifier V varies, and V increases from the highest vertical position (V=1) to the lowest. Variables with the same qualifier are not necessarily measured by the same sensor, and the same variable with the same qualifier across different sites are not necessarily measured at the same height. Please refer to “metadata_instrument.csv” for the sensor information and measurement heights, and whether a variable is measured below the canopy. (2) Variable availability: Snow depth is not available at ER-PHS3 and SG-EHS7. SWC, soil temperature, and soil bulk EC at the deepest depth (<-1m) are not available at SG-EHS6 and SG-EHS7. The missing value code for numeric variables is -9999, except for SWP. For SWP, the missing value code is +9999, because SWP values are negative. (3) Sampling frequency: Please refer to “metadata_instrument.csv” for the increase of sampling frequency of some variables from 30-min to 1-min at ER-PHS1 to 4 in July 2020. (4) Sensors: While the methods of each sensor are not detailed, all sensors are commercially available, and their methods can be found in their manuals. Please refer to “metadata_instrument.csv” for the sensor manufacturer and model information. This work was supported by the Watershed Function Science Focus Area at Lawrence Berkeley National Laboratory funded by the US Department of Energy, Office of Science, Biological and Environmental Research under Contract No. DE-AC02-05CH11231.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Surface-Mediated Interconnections of Nanoparticles in Cellulosic Fibrous Materials toward 3D Sensors

Fibrous materials serve as an intriguing class of 3D materials to meet the growing demands for flexible, foldable, biocompatible, biodegradable, dis- posable, inexpensive, and wearable sensors and the rising desires for higher sensitivity, greater miniaturization, lower cost, and better wearability. The use of such materials for the creation of a fibrous sensor substrate that interfaces with a sensing film in 3D with the transducing electronics is however difficult by conventional photolithographic methods. Here, a highly effective pathway featuring surface-mediated interconnection (SMI) of metal nanoclusters (NCs) and nanoparticles (NPs) in fibrous materials at ambient conditions is demon- strated for fabricating fibrous sensor substrates or platforms. Bimodally distrib- uted gold–copper alloy NCs and NPs are used as a model system to demonstrate the semiconductive-to-metallic conductivity transition, quantized capacitive charging, and anisotropic conductivity characteristics. Upon coupling SMI of NCs/NPs as electrically conductive microelectrodes and surface-mediated assembly (SMA) of the NCs/NPs as chemically sensitive interfaces, the resulting fibrous chemiresistors function as sensitive and selective sensors for gaseous and vaporous analytes. Finally, this new SMI–SMA strategy has significant implications for manufacturing high-performance fibrous platforms to meet the growing demands of the advanced multifunctional sensors and biosensors.

36 MATERIALS SCIENCE↗

NASA NTRS1991

Measuring Electrical Resistivity Of Compacted Powder

Slightly modified micrometer used in conjunction with special cup to measure electrical resistance of specimen of powder as function of packing fraction. Powder pressed between anvils of micrometer, which make electrical contact with specimen. Device used in manufacturing batteries to determine effective electrical conductivities of powders loaded into plastic sheets to make battery substrates. Coupled with good mathematical description of expected conductivity of particulate composite as function of packing density. Also serves as tool for evaluating conductivity of dispersed phase, as well as evaluating electrical resistances of interparticle contacts.

Shlichta, Paul J.↗

NASA NTRS2000

Micromechanical and Electrical Properties of Monolithic Aluminum Nitride at High Temperatures

Micromechanical spectroscopy of aluminum nitride reveals it to possess extremely low background internal friction at less than 1x10(exp-4) logarithmic decrement (log dec) from 20 to 1200 T. Two mechanical loss peaks were observed, the first at 350 C approximating a single Debye peak with a peak height of 60x10(exp-4) log dec. The second peak was seen at 950 'C with a peak height of 20x 10' log dec and extended from 200 to over 1200 C. These micromechanical observations manifested themselves in the electrical behavior of these materials. Electrical conduction processes were predominately intrinsic. Both mechanical and electrical relaxations appear to be thermally activated processes, with activation energies of 0.78 and 1.32 eV respectively.

Goldsby, Jon C.↗

NASA NTRS2001

Micromechanical and Electrical Properties of Monolithic Aluminum Nitride at High Temperatures

Micromechanical spectroscopy of aluminum nitride reveals it to possess extremely low background internal friction at less than 1 x 10 (exp -4) logarithmic decrement (log dec.) from 20 to 1200 C. Two mechanical loss peaks were observed, the first at 350 C approximating a single Debye peak with a peak height of 60 x 10 (exp -4) log dec. The second peak was seen at 950 C with a peak height of 20 x 10 (exp -4) log dec. and extended from 200 to over 1200 C. These micromechanical observations manifested themselves in the electrical behavior of these materials. Electrical conduction processes were predominately intrinsic. Both mechanical and electrical relaxations appear to be thermally activated processes, with activation energies of 0.78 and 1.32 eV respectively.

Goldsby, Jon C.↗

NASA NTRSDate not supplied

Technology Assessment for Producing Propellant From Lunar Water

Introduction: The presence of water ice in permanently shadowed regions (PSRs) on the lunar surface may enable a sustained human presence on the Moon with minimal need for consumables. One of the most valuable uses of lunar water is to produce rocket propellant. A sustained human presence on the Moon will re-quire frequent launches from the lunar surface, and each launch will require tons of propellant. However, many other volatiles are likely to be present in the areas where lunar water is stable1. Producing propellant from lunar water in-situ will require the separation and purification of water before it can be electrolyzed into oxygen and hydrogen gas. The Resource Exploration and Science of OUR Cosmic Environment (RESOURCE) project, funded by the Solar System Exploration Research Virtual Institute (SSERVI) program, includes a task to demonstrate the end-to-end process of water extraction, capture, purification and electrolysis to produce pure/dry oxygen gas sourced from an icy regolith mixture. Water Purification: The requirements for water purity are driven by the type of water electrolyzer used. For example, the water electrolyzer currently used on the International Space Station is based on proton ex-change membrane (PEM) technology. PEM-based electrolyzers require water to be ultrapure and deionized (>10 MegaOhm-cm) so that electrical conductivity is limited to the membranes themselves, where electrical current is used to convert H2O into H2 and O2.. A practical first step toward purifying water that is sourced from a lunar PSR is to use freeze distillation to separate water from other volatiles2. A sub-micronic filter can also be used to ensure that a minimal amount of dust is present in any lunar water that is captured. The combination of freeze distillation and sub-micronic filtration will result in relatively pure water but would require a deionization step if being fed into a PEM electrolyzer. Water Electrolysis: An alternative to PEM electrolysis is to use a Solid Oxide Electrolyzer (SOE). This technology operates at a much higher operating temperature (~800oC) and has a limited pressure range but does not require water to be ultrapure and deionized. Another advantage of SOE technology is that it produces pure dry oxygen gas without the need of an additional drying step. PEM electrolyzers produce humid oxygen gas and the humidity must be removed prior to liquefaction. Assessment: In order to compare PEM and SOE technologies side-by-side, they must be compared at a system level that includes water purification and gas drying steps. Engineers at the Johnson Space Center up-dated and utilized a detailed In-Situ Resource Utilization (ISRU) system model to compare and select the best option for the RESOURCE project which will conclude with a laboratory demonstration of the process of producing pure/dry oxygen from an icy regolith mixture in 2025.

A.J. Paz↗

NASA NTRSDate not supplied

Technology Assessment for Producing Propellant From Lunar Water

ISRU↗

NASA NTRS1992

Role of dielectric constant in electrohydrodynamics of conducting fluids

Electrohydrodynamic (EHD) flows are driven by the interaction of an electric field with variations in electric conductivity or dielectric constant. In reported EHD experiments on the deformation of drops of immiscible dielectric fluids, the role of conductivity has tended to overshadow the role of dielectric constant. Often, large conductivity contrasts were convenient because the conductivities of the dielectric fluid were relatively uncertain. As a result, the observed effects were always qualitatively the same as if there had been no contrast in dielectric constant. Our early experiments studying the EHC deformations of cylindrical streams readily showed the conductivity effect but the dielectric constant effect was not discernible. We have modified our flow chamber and improved our method of observation and can now see an unequivocal dielectric constant effect which is in agreement with the prior theory. In this paper we first give a brief description of the physics of charge buildup at the interface of an immersed spherical drop or flowing cylindrical sample stream and then show how these charge distributions lead to interface distortions and accompanying viscous flows which constitute EHD. We next review theory and experiment describing the deformation of spherical drops. We show that in the reported drop deformation experiments, the contrast in dielectric constant was never sufficient to reverse the deformation due to the conductivity contrast. We review our work describing the deformation of a cylindrical stream of one fluid flowing in a parallel flow of another, and we compare the deformation equations with those for spherical drops. Finally, we show a definite experimental dielectric constant effect for cylindrical stream of aqueous polystyrene latex suspension. The dielectric constant varies with the frequency of the imposed electric field, and the associated EHD flow change is very apparent.

Rhodes, Percy H.↗

NASA NTRS1990

Electric and thermal conductivities of quenched neutron star crusts

The electric and thermal conductivities in the outer crustal matter of a neutron star quenched into a solid state by cooling are estimated using a Monte Carlo simulation of freezing transition for dense plasmas. The conductivities are calculated by the precise evaluation of the scattering integrals, using the procedure of Ichimaru et al. (1983) and Iyetomi and Ichimaru (1983). The results predict the conductivities lower, by a factor of about 3, than those with the single-phonon approximation.

Ogata, Shuji↗

NASA NTRS2003

Conductance Oscillations in Squashed Carbon Nanotubes

A combination of molecular dynamics and electrical conductance calculations are used to probe the electromechanical properties of squashed metallic carbon nanotubes. We find that the conductance and bandgap of armchair nanotubes show oscillations upon squashing. The physical origin of these oscillations is attributed to interaction of carbon atoms with a fourth neighbor. Squashing of armchair and zigzag nanotubes ultimately leads to metallic behavior.

Mehrez, H.↗

DOE OSTI2021

3D printable feedstock inks for signal control or computation

A 3D printable feedstock ink is disclosed for use in a 3D printing process where the ink is flowed through a printing nozzle. The ink may be made up of a non-conductive flowable material and a plurality of chiplets contained in the non-conductive flowable material in random orientations. The chiplets may form a plurality of percolating chiplet networks within the non-conductive flowable material as ones of the chiplets contact one another. Each one of the chiplets has a predetermined circuit characteristic which is responsive to a predetermined electrical signal, and which becomes electrically conductive when the predetermined electrical signal is applied to the ink, to thus form at least one conductive signal path through the ink.

Murialdo, Maxwell↗

NASA NTRS2015

Electron Beam Irradiated Intercalated CNT Yarns For Aerospace Applications

Multi-walled CNT yarns have been experimentally and commercially created to yield lightweight, high conductivity fibers with good tensile properties for application as electrical wiring and multifunctional tendons. Multifunctional tendons are needed as the cable structures in tensegrity robots for use in planetary exploration. These lightweight robust tendons can provide mechanical strength for movement of the robot in addition to power distribution and data transmission. In aerospace vehicles, such as Orion, electrical wiring and harnessing mass can approach half of the avionics mass. Use of CNT yarns as electrical power and data cables could reduce mass of the wiring by thirty to seventy percent. These fibers have been intercalated with mixed halogens to increase their specific electrical conductivity to that near copper. This conductivity, combined with the superior strength and fatigue resistance makes it an attractive alternative to copper for wiring and multifunctional tendon applications. Electron beam irradiation has been shown to increase mechanical strength in pristine CNT fibers through increased cross-linking. Both pristine and intercalated CNT yarns have been irradiated using a 5-megavolt electron beam for various durations and the conductivities and tensile properties will be discussed. Structural information obtained using a field emission scanning electron microscope, energy dispersive X-ray spectroscopy (EDS), and Raman spectroscopy will correlate microstructural details with bulk properties.

electrical wiring↗

NASA NTRS1978

A facility for the simulation of environmental parameters and qualification of flight thermal coatings

There is a continuing interest and need for investigation and development of, various paints, coatings, multi-layer insulation, and electrically conductive paints and coatings used for thermal control and electrical discharge of spacecraft surfaces. Degradation of these surfaces by solar-wind energy particles and ultraviolet irradiation, as well as contamination by the outgassing of materials used in conjunction or close proximity to these surfaces, continues to be a matter of concern. The following is a description of a facility with the capability of evaluating the synergistic effects encountered in the space environment. Actual flight qualification programs are also described.

Paczkowski, F. N.↗

NASA NTRS1982

Rotary Transformer Seals Power In

Rotary transformer originally developed for spacecraft transfers electrical power from stationary primary winding to rotating secondary without sliding contacts and very little leakage of electromagnetic radiation. Transformer has two stationary primary windings connected in parallel. Secondary, mounted on a shaft that extends out of housing, rotates between two windings of primary. Shaft of secondary is composed of electrically conducting inner and outer parts separated by an insulator. Electrical contact is made from secondary winding, through shaft, to external leads.

Studer, P. A.↗