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At least 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Using Data-Science Approaches to Unravel Insights for Enhanced Transport of Lithium Ions in Single-Ion Conducting Polymer Electrolytes

Solid polymer electrolytes have yet to achieve the desired ionic conductivity (>1 mS/cm) near room temperature required for many applications. This target implies the need to reduce the effective energy barriers for ion transport in polymer electrolytes to around 20 kJ/mol. In this work, we combine information extracted from existing experimental results with theoretical calculations to provide insights into ion transport in single-ion conductors (SICs) with a focus on lithium ion SICs. Through the analysis of temperature-dependent ionic conductivity data obtained from the literature, we evaluate different methods of extracting energy barriers for lithium transport. The traditional Arrhenius fit to the temperature-dependent ionic conductivity data indicates that the Meyer–Neldel rule holds for SICs. However, the values of the fitting parameters remain unphysical. Our modified approach based on recent work (Macromolecules 2023, 56, 15, 6051), which incorporates a fixed pre-exponential factor, reveals that the energy barriers exhibit temperature dependence over a wide range of temperatures. Using this approach, we identify anions leading to the energy barriers <30 kJ/mol, which include trifluoromethane sulfonimide (TFSI), fluoromethane sulfonimide (FSI), and boron-based organic anions. In our efforts to design the next generation of anions, which can exhibit the energy barriers <20 kJ/mol, we have performed density functional theory (DFT) based calculations to connect the chemical structures of boron-based anions via the binding energy of cation (lithium)-anion pairs with the experimentally derived effective energy barriers for ion hopping. Not only have we identified a correlation between the binding energy and the energy barriers, but we also propose a strategy to design new boron-based anions by using the correlation. This combined approach involving experiments and theoretical calculations is capable of facilitating the identification of promising new anions, which can exhibit ionic conductivity >1 mS/cm near room temperature, thereby expediting the development of novel superionic single-ion conducting polymer electrolytes.

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

Origins of Enhanced Ion Transport in Nanostructured Anion-Conducting Polyelectrolytes

Ion-conducting polymer chemistry and microstructure profoundly impact membrane water uptake and ionic conductivity. Water uptake strongly impacts ionic conductivity; yet excess water uptake compromises ion-exchange membrane mechanical properties. Although nanophase separation has been proposed to overcome this trade-off, it is unclear how polymer backbone architecture governs ionic nanostructure and its subsequent impact on water uptake and conductivity. Here, we integrate experiments and molecular dynamics simulations to elucidate the role of backbone chemistry in governing ionic nanostructure, hydration behavior, and ion transport in anion-conducting polyelectrolytes (ACPs). We systematically investigate hydrocarbon polynorbornene (PNB)-based ACPs with three distinct backbone architectures: vinyl-addition polymerization (VAP), ring-opening metathesis polymerization (ROMP), and hydrogenated ROMP. While maintaining comparable ion exchange capacities (IECs) and identical side-chain chemistry, we isolate the effects of backbone structure. We show that nanophase-separated ionic nanostructures originate in the dry state and evolve upon hydration through heterogeneous water uptake, with water preferentially partitioning into ion-rich domains. This nanophase separation arises from a delicate interplay between ionic segregation propensity and the entropic barrier imposed by backbone stiffness. Specifically, flexible backbones intensify attractive ion–ion interactions by reducing the entropic penalty for backbone deformation, promoting nanophase separation, while rigid backbones suppress ionic nanostructure formation. Nanophase-separated ion domains locally concentrate water upon hydration, which in turn enables the connectivity required for fast transport at lower water concentration values. Furthermore, these findings demonstrate that backbone chemistry can be tuned as a design lever to promote nanophase separation and enhance ion transport without excessive water uptake.

Anions↗
DOE OSTI2025

Revisiting the Relationship Between Induced Polarization and Surface Conductivity: Ratios From Laboratory to Field

Abstract Among the subsurface geophysical methods used in the critical zone investigations, induced polarization (IP) shows great vitality thanks to its unique ability to assess porosity via bulk conduction and estimate permeability through surface conduction and/or polarization. However, such an advantageous separation between bulk and surface is mostly implemented by multi‐salinity experiments in the laboratory, which is incredibly difficult to realize in the field. One promising approach to address such an obstinate issue is to gauge the surface conductivity ( σ s ) from the quadrature conductivity ( σ ″) or normalized chargeability ( M n ) with the ratios between ( l = σ ″/ σ s , l mn = M n / σ s ). While these ratios are known not to be universal, the underlying principles are not fully understood and relevant theoretical studies are rare, which makes quantitative IP applications difficult. Here we scrutinize the conduction and polarization mechanisms of geomaterials and pinpoint that the two ratios are inherently functions of salinities and frequencies rather than only determined by the properties of the electrical double layer (EDL), hence representative samples from the investigated field must be calibrated in the laboratory and a characteristic frequency should be chosen for their usage. Besides the macro‐scale ratios l and l mn , we define two micro‐scale ratios χ and χ mn directly from the EDL, such that the new ratios exclude the effect of salinity and frequency and offer the opportunity to characterize and monitor changes of the EDL. Our study demonstrates that the existing macro‐scale ratios converge toward the values of novel micro‐scale ratios at high water salinity.

Qi, Youzheng [Earth and Environmental Sciences Are↗
DOE OSTI2026

Complex Electrical Conductivity of a Single‐Fractured Rock: Fracture‐and‐Matrix Coupling Mechanism and Aperture Size Predictions

Fractured rocks play a crucial role in myriad natural and engineered systems, including Earth's critical zone, oil/gas/geothermal reservoirs, and geological CO 2 /H 2 /waste storage systems. While complex electrical conductivity is extensively used to estimate the pore and grain sizes of conventional porous rocks and soils, it is rarely used to predict the aperture size of fractured rocks and this remains poorly understood. Here, integrating theory, simulations, and experiments, we show that under external fields, fractured rocks follow the fracture-and-matrix coupling to make the bulk complex conductivity non-linear with respect to water conductivity. We find that the relaxation time and quadrature conductivity for porous media do not apply to fractured rocks, but, instead, reasonably accurate predictions of aperture size can be made based on the true formation factor. This study unravels the fundamental mechanism governing conduction and polarization of fractured rocks and paves the way for the non-invasive investigation of global fractured rocks.

58 GEOSCIENCES↗
DOE OSTI2025

Conduction band convergence and local structure distortion for superior thermoelectric performance of GaSb-doped n-type PbSe thermoelectrics

Achieving high-stability thermoelectric materials with excellent average power factor and figure of merit is crucial for maximizing the output power density and conversion efficiency of thermoelectric devices. In this study, GaSb is added to PbSe as an n-type dopant to form stable solid solutions. Doping with GaSb flattens the conduction band and reduces the energy difference between the Σ and L conduction bands, thereby significantly improving the Seebeck coefficient. Herein, the Ga and Sb atoms co-occupy the vacant Pb sites, unlike in the case of traditional single-element doping, as is verified by density functional theory calculations. The resultant structural distortion is confirmed via transmission electron microscopy. This local structure distortion caused by GaSb doping reduces the lattice thermal conductivity. Consequently, the Pb 0.99875 (GaSb) 0.00125 Se sample exhibits a record-high average power factor of ~22.37 μW cm −1 K −2 and a high average figure of merit of ~0.94 in the temperature range of 300‒873 K. Furthermore, the introduction of interstitial Cu and discordant Zn atoms further reduces the lattice thermal conductivity. The Pb 0.99875 (GaSb) 0.00125 Zn 0.01 Se 1.01 -0.3%Cu sample exhibits a low lattice thermal conductivity of ~0.4 W m −1 K −1 at 873 K and a record-high average figure of merit of ~1.01 in the temperature range of 300‒873 K.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Generalized Hall conductivities in local commuting projector models: Generalized symmetries and protected surface modes

Hall conductivities are important characterizations of phases of matter. It is known that nonzero Hall conductivities are difficult to realize in local commuting projector lattice models due to no-go theorems in (2+1)⁢D. In this work we construct local commuting projector models in (2+1)⁢D and (3+1)⁢D with nonzero generalized Hall conductivities for ordinary and higher-form continuous symmetries on tensor product Hilbert space of finite local dimension. The model is given by a standard ℤ 𝑁 toric code, but the symmetries do not admit expression in terms of on-site charge operators. The symmetry do not have local charges or currents on the lattice in the absence of boundaries, but there is still a notion of Hall conductivities that coincide with the continuum field theories. We construct protected gapless boundaries of the lattice models using modified Villain formalism. The generalized Hall conductivities are computed by surface currents as well as bulk flux insertion and many-body Chern number.

Anomalies↗
DOE OSTI2024

Exploring Mixed Ionic–Electronic-Conducting PVA/PEDOT:PSS Hydrogels as Channel Materials for Organic Electrochemical Transistors

Here, we report the preparation and evaluation of PVA/PEDOT:PSS-conducting hydrogels working as channel materials for OECT applications, focusing on the understanding of their charge transport and transfer properties. Our conducting hydrogels are based on crosslinked PVA with PEDOT:PSS interacting via hydrogen bonding and exhibit an excellent swelling ratio of ~180–200% w/w. Our electrochemical impedance studies indicate that the charge transport and transfer processes at the channel material based on conducting hydrogels are not trivial compared to conducting polymeric films. The most relevant feature is that the ionic transport through the swollen hydrogel is clearly different from the transport through the solution, and the charge transfer and diffusion processes govern the low-frequency regime. In addition, we have performed in operando Raman spectroscopy analyses in the OECT devices supported by first-principle computational simulations corroborating the doping/de-doping processes under different applied gate voltages. The maximum transconductance (gm~1.05 μS) and maximum volumetric capacitance (C*~2.3 F.cm -3 ) values indicate that these conducting hydrogels can be promising candidates as channel materials for OECT devices.

36 MATERIALS SCIENCE↗
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.↗
NASA NTRS1971

Thermal conductivity and electrical resistivity of porous material

Thermal conductivity and electrical resistivity of porous materials, including 304L stainless steel Rigimesh, 304L stainless steel sintered spherical powders, and OFHC sintered spherical powders at different porosities and temperatures are reported and correlated. It was found that the thermal conductivity and electrical resistivity can be related to the solid material properties and the porosity of the porous matrix regardless of the matrix structure. It was also found that the Wiedermann-Franz-Lorenz relationship is valid for the porous materials under consideration. For high conductivity materials, the Lorenz constant and the lattice component of conductivity depend on the material and are independent of the porosity. For low conductivity, the lattice component depends on the porosity as well.

Koh, J. C. Y.↗
NASA NTRS1972

Thermal conductivity of austenitic stainless steel, SRM 735, from 5 to 280 K

Thermal conductivity and electrical resistivity measurements were conducted on two lots of an austenitic stainless steel. Electrical resistivity measurements were performed on the second lot, both before and after the material was hot-swaged and reannealed to a size 1/10 the original diameter. These measurements indicate that this steel can be swaged and reannealed without an appreciable change in thermal conductivity. Electrical resistivity measurements as well as direct thermal conductivity measurements on several specimens from both lots indicate a material variability in these lots of less than 1% in thermal conductivity.

Hust, J. G.↗
NASA NTRS1972

Electrical conductivity and velocity of highly ionized plasma flows - Theory and experiment.

Use of an immersible, three-coil, magnetic-induction probe, previously tested in a low-density supersonic argon jet, to measure electrical conductivity and velocity profiles of a highly ionized high-density nitrogen jet in the continuum flow regime where effects due to probe bow shocks and boundary layers might not be negligible. Measured centerline values of electrical conductivity and velocity were compared with predictions based on a theoretical analysis previously developed to study the gas as it expanded adiabatically and inviscidly from an equilibrium sonic state to the nozzle exit. The resulting numerical exit plane values for electron density and electron temperature were then substituted into the Spitzer-Haerm conductivity formula to compute a theoretical conductivity which agreed within 40% of the measured conductivity, while the calculated and experimental velocity values differed by as much as 50%. The lack of agreement was attributed to the possible use of invalid assumptions and boundary conditions in the computer analysis or to the unknown effects of shocks on the probe data.

Vendell, E. W.↗
NASA NTRS1972

Ultraviolet and charged particle irradiation of proposed solar cell coverslide materials and conductive coatings for the Helios spacecraft

Coverslide materials consisting of Corning 7940 fused silica, multilayers of titanium and manganese oxides (blue reflector), and indium oxide (conductive-coating) were exposed to 16 UVSC up to 800 EUVSH in vacuum. Slight changes in optical transmittance and optical absorptance were found in the (200-360) millimicron regions of the fused silica and conductive coating respectively. Exposure to 4 KeV protons and 4.5 KeV electrons in vacuum, produced decreases of several percent in transmittance, (200-360) millimicron region in the fused silicas after total fluxes less or = 10 to the 14th power particles/sq cm. Sheet resistance of the conductive coating increased above 1.0 kilo-ohm/square after a total flux less or = 10 to the 14th power particles/sq cm. Solar cells with coverglasses utilizing the indium oxide conductive coating were exposed to 1 Mev electrons and 1 Mev protons in air and in vacuum. Total fluxes ranged from 10 to the 11th power particles/sq cm to 10 to the 15th power particle/sq cm. There was no appreciable degradation in the resistance of the conductive coating during or after these tests.

Fry, J.↗
NASA NTRS1973

Apollo 15 measurement of lunar surface brightness temperatures - Thermal conductivity of the upper 1.5 meters of regolith.

In situ measurements of lunar surface brightness temperatures made as a part of the Apollo Lunar Surface Experiments Package at the Apollo 15 Hadley Rille landing site are reported. Data derived from five thermocouples of the Heat Flow Experiment, which are lying on or just above the surface, are used to examine the thermal properties of the upper 15 cm of the lunar regolith using eclipse and nighttime cool-down temperatures. Application of finite-difference techniques in modeling the lunar soil shows that the thermocouple data are best fit by a model consisting of a low-density and low-thermal conductivity surface layer approximately 2 cm thick overlying a region increasing in conductivity and density with depth. Conductivities on the order of 0.00001 W per cm per deg K are postulated for the upper layer, with conductivity increasing to the order of 0.0001 W per cm per deg K at depths exceeding 20 cm. An increase in mean temperature with depth indicates that the ratio of radiative to conductive transfer at 350 K is 2.7 for at least the upper few centimeters of lunar soil; this value is nearly twice that measured for returned lunar fines.

Keihm, S. J.↗
NASA NTRS1973

Reliability and effective thermal conductivity of three metallic-ceramic composite insulating coatings on cooled hydrogen-oxygen rockets

An experimental investigation of the structural integrity and effective thermal conductivity of three metallic-ceramic composite coatings was conducted. These coatings were plasma sprayed onto the combustion side of water-cooled, 12.7-centimeter throat diameter, hydrogen-oxygen rocket thrust chambers operating at 2.07 to 4.14 meganewtons per square meter chamber pressure. The metallic-ceramic composites functioned for six to 17 cycles and for as long as 213 seconds of rocket operations and could have probably provided their insulating properties for many additional cycles. The effective thermal conductivity of all the coatings was in the range of 0.7472 to 4.483 w/(m)(K), which makes the coatings a very effective thermal barrier. Photomicrographic studies of cross-sectioned coolant tubes seem to indicate that the effective thermal conductivity of the coatings is controlled by contact resistance between the particles, as a result of the spraying process, and not the thermal conductivity of the bulk materials.

Price, H. G., Jr.↗
NASA NTRS1974

Temperature dependence of electrical conductivity and lunar temperatures

Metallic conduction mechanicsms are probably not important in lunar materials because of the small amounts of free metal and metallic oxides present. This is confirmed by the extremely low conductivities measured to date and the fact that the conductivity increases with temperature. The major conduction mechanicsm appears to be ionic. This conduction mechanism is very strongly controlled by temperature, by deviations from stoichiometry, by electric field strengths, and by oxygen fugacity.

Olhoeft, G. R.↗
NASA NTRS1974

Incoherent scatter measurements of E region conductivities and currents in the auroral zone

Data taken by incoherent scatter radar have been used to investigate ionospheric conductivities and electrical currents. During quiet days, the conductivities appear to vary in a way consistent with ionization arising from solar EUV radiation. In the evening hours, enhancements in the northward electric field are found to precede small increases in the conductivities. Strong enhancements of the Hall conductivity relative to the Pedersen conductivity occur during negative bays when the electric field is in a southwestward direction. The ionospheric currents calculated in the geomagnetic east-west direction are in good agreement with the H component measured by a nearby magnetometer; this result indicates that the current causing the ground level magnetic fluctuations is a broad horizontal sheet current. The north-south ionospheric current, however, consistently disagrees with the observed D component in a manner that cannot easily be explained unless currents parallel to the earth's magnetic field are present.

Brekke, A.↗
NASA NTRS1974

Electrical conductivity of lunar surface rocks - Laboratory measurements and implications for lunar interior temperatures

Results are reported for laboratory measurements of the dc and low-frequency ac electrical conductivity of three lunar rocks with ferrous iron contents of 5 to 26 wt %. The measurements were made at temperatures ranging from 20 to 1000 C, and Mossbauer spectroscopy was used to determine the dependence of electrical conductivity on furnace atmosphere. It is found that the magnitude of electrical conductivity generally increases with increasing iron content. A comparison of the data on these samples with data on terrestrial olivines and pyroxenes shows that the electrical conductivity of anhydrous silicate minerals is influenced primarily by the concentration, oxidation state, and distribution of iron, while the silicate crystal structure is only of secondary importance. Lunar interior temperatures are deduced from experimental lunar conductivity profiles, and the resulting temperature-depth profiles are found to be consistent with those calculated for two different lunar evolutionary models as well as with various experimental constraints.

Schwerer, F. C.↗
NASA NTRS1977

Spectroscopic determination of electrical conductivity in an MHD duct from absolute intensity measurements

Measurements of the electrical conductivity in the NASA Lewis cesium seeded, H2-O2 MHD duct made by applying a voltage across the channel from one end electrode to the other, measuring the current, and using the inner electrodes as probes to monitor the voltage distribution along the channel were found to be in good agreement with theory except at low combustion pressures and/or high ratios of seed/oxygen mass flows. To corroborate these measurements and to analyze the possibility of nonuniform seed injection as a cause of the above deviations, a spectroscopic investigation of the plasma conductivity was undertaken. Radial profiles of emission coefficient were obtained from measured transverse profiles of the absolute integrated intensity by Abel inversion. Radial profiles of electrical conductivity were then obtained under two different assumptions. In the first the Cs seed fraction is assumed uniform and equal to the measured flow rate at the time when the temperature and conductivity were obtained. In the second method the local temperature and pressure are taken to be those given by a one-dimensional channel calculation including heat transfer and friction. The results of the two methods are compared to the previously measured conductivity.

Wang, S. Y.↗