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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Scaling of ionic conductance in a fluctuating single-layer nanoporous membrane

Abstract Single-layer membranes have emerged as promising candidates for applications requiring high transport rates due to their low resistance to molecular transport. Owing to their atomically thin structure, these membranes experience significant microscopic fluctuations, emphasizing the need to explore their impact on ion transport processes. In this study, we investigate the effects of membrane fluctuations on the elementary scaling behavior of ion conductance $$G$$ G as a function of ion concentration $$c_{0}$$ c 0 , represented as $$G = \beta c_{0}^{\alpha }$$ G = β c 0 α , using molecular dynamics simulations. Our findings reveal that membrane fluctuations not only alter the conductance coefficient $$\beta$$ β but also the power-law exponent $$\alpha$$ α . We identify two distinct frequency regimes of membrane fluctuations, GHz-scale and THz-scale fluctuations, and examine their roles in conductance scaling. Furthermore, we demonstrate that the alteration of conductance scaling arises from the non-linearity between ion conductance and membrane shape. This work provides a fundamental understanding of ion transport in fluctuating membranes.

42 ENGINEERING↗
DOE OSTI2020

Role of phosphate source in improving the proton conductivity of tin pyrophosphate and its composite electrolytes

Metal pyrophosphates (MPPs) in general, and tin pyrophosphate (TPP) in particular, have received significant interest in the last decade due to their potential as proton conductors for electrolyte application in intermediate temperature (IT)-fuel cells. However, for MPP based electrolytes, despite high reported proton conductivities, achieving good fuel cell performance and high open circuit voltage (OCV) remains a challenge with synthesis methods playing a crucial role in determining the final proton conductivity. Here we report the role of phosphate precursor in determining the TPP proton conductivity by examining five different precursors: (1) phosphoric acid (TPP-PA), (2) ammonium hydroxide + phosphoric acid (TPP-NH 4 OH), (3) diammonium phosphate (TPP-DAP), (4) tetramethylammonium sulphate + phosphoric acid (TPP-TMAP), and (5) tetrabutylammonium phosphate (TPP-TBAP), where a maximum conductivity of 88 mS cm -1 at 200 °C was obtained for TPP prepared from the TBAP precursor. TPP prepared from all of the different precursors formed the crystalline cubic Pa-3 with combining macron] phase after sintering at 650 °C for 2.5 hours. Furthermore, TPP-TBAP/Nafion® composite membranes prepared with a 90 : 10 ratio exhibited an OCV of 0.98 V and produced a maximum peak power density (PPD) of 630 mW cm -2 at an operating temperature of 220 °C. Our results demonstrate the significant impact of the TPP precursor on proton conductivity and fuel cell performance.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Critical role of acceptor dopants in designing highly stable and compatible proton-conducting electrolytes for reversible solid oxide cells

Proton-conducting electrolytes are receiving increasing attention due to their high ionic conductivity at intermediate temperatures, enabling the operation of solid oxide cells with high energy efficiency at low cost. However, the effect of B-site dopants on the properties of doped barium hafnate-cerate electrolyte materials, especially in single cells under operating conditions, has not been systematically studied. Here we report our findings in the development of a series of proton-conducting electrolytes with a general formula of BaHf 0.1 Ce 0.7 R 0.2 O 3–δ (BHCR172, R = Yb, Er, Y, Gd, Sm). Here, the results reveal that electrical conductivity, ionic transference number, chemical stability against steam and CO 2 , and compatibility with NiO during sintering are all closely correlated with the dopant size. In particular, the reaction with NiO is found to strongly affect the properties of the electrolytes and hence cell performance. Among all tested compositions, BaHf 0.1 Ce 0.7 Yb 0.2 O 3–δ (BHCYb172) shows excellent chemical stability and minimal reactivity towards NiO, as predicted from density functional theory (DFT)-based calculations and confirmed by experimental results. In addition, proton-conducting reversible solid oxide cells (P-ReSOCs) based on the optimized electrolyte composition, BHCYb172, demonstrate exceptional performance and stability, achieving a remarkable peak power density of 1.74 W cm –2 (O 2 as the oxidant) at 600 °C in the fuel cell mode and a high current density of 2.0 A cm –2 at 1.3 V and 600 °C in the steam electrolysis mode while maintaining excellent durability for over 1000 h.

25 ENERGY STORAGE↗
DOE OSTI2023

Axis dependent conduction polarity in the air-stable semiconductor, PdSe 2

Axis-dependent conduction polarity (ADCP) is a unique electronic phenomena in which the charge polarity of carrier conduction can differ from p-type to n-type depending on the direction of travel through the crystal. Most materials that exhibit ADCP are metals, and very few semiconducting materials exhibit this effect. Here, in this work, we establish that PdSe 2 , a ~0.5 eV band gap semiconductor that is air- and water-stable, exhibits ADCP, through the growth and characterization of the transport properties of crystals with extrinsic p- and n-type doping levels of Ir and Sb, respectively, in the 10 16 –10 18 cm –3 range. Electron doped PdSe 2 exhibits p-type conduction in the cross-plane direction and n-type conduction along the in-plane directions above an onset temperature of 100–200 K that varies with doping level. Lightly p-doped samples show p-type thermopower in all directions at low temperatures, but above ~360 K the in-plane thermopower turns negative. Density functional theory calculations indicate that the origin of ADCP arises from the complementary effective mass anisotropies in the valence and conduction bands in this material, which facilitate hole transport in the cross-plane direction, and electron transport along the in-plane directions. ADCP occurs at temperatures with sufficient thermal population of both carrier types to overcome the extrinsic doping levels to exploit the effective mass anisotropy. In total, the development of this stable semiconductor in which thermally or optically excited holes and electrons inherently migrate along different directions opens up numerous potential applications in a multitude of technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Intrinsic and extrinsic conduction contributions at nominally neutral domain walls in hexagonal manganites

Conductive and electrostatic atomic force microscopy (cAFM and EFM) are used to investigate the electric conduction at nominally neutral domain walls in hexagonal manganites. The EFM measurements reveal a propensity of mobile charge carriers to accumulate at the nominally neutral domain walls in ErMnO3, which is corroborated by cAFM scans showing locally enhanced direct current conductance. Our findings are explained based on the established segregation enthalpy profiles for oxygen vacancies and interstitials, providing a microscopic model for previous, seemingly disconnected observations ranging from insulating to conducting behavior. In addition, we observe variations in conductance between different nominally neutral walls that we attribute to deviations from the ideal charge-neutral structure within the bulk, leading to a superposition of extrinsic and intrinsic contributions. Our study clarifies the complex transport properties at nominally neutral domain walls in hexagonal manganites and establishes the possibility to tune their electronic response based on oxidation conditions, opening the door for domain-wall-based sensor technology.

Schultheiß, J. (ORCID:0000000173891295)↗
DOE OSTI2020

Investigation of magnetic noise from conductive shields in the 10–300 kHz frequency range

Here we present experimental and theoretical investigations of magnetic noise originating from radio-frequency (RF) conductive shields of flat geometry in the inductance-dominated impedance regime below 300 kHz. The measurement is based on a Q-factor determination of a coil that provides a sufficient sensitivity, placed at the position where the shield magnetic noise is measured. The theory is based on calculations of magnetic field and inductance of one or a few flat rings that emulate a conductive shield. The theoretical model is found to be in close agreement with experimental data. It can be used to predict the magnetic noise of a conductive shield with different thicknesses, conductivities, and temperatures at different distances for a wide range of frequencies. Although the model can be generalized for a more arbitrary shield geometry, in its presented form, it can be applied to the magnetic noise predictions when the shield surface curvature is not large. One important conclusion is that the RF conductive shield can generate the magnetic noise much lower than femtotesla, and, thus, it can be used in many precision experiments targeting minute high-frequency magnetic signals, such as detection of magnetic resonance imaging and nuclear quadrupole resonance signals and search for axion dark matter.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Measuring sub-surface spatially varying thermal conductivity of silicon implanted with krypton

The thermal properties of semiconductors following exposure to ion irradiation are of great interest for the cooling of electronic devices; however, gradients in composition and structure due to irradiation often make the measurement difficult. Furthermore, the nature of spatial variations in thermal resistances due to spatially varying ion irradiation damage is not well understood. In this work, we develop an advancement in the analysis of time-domain thermoreflectance to account for spatially varying thermal conductivity in a material resulting from a spatial distribution of defects. We then use this method to measure the near-surface (≲1 μm) thermal conductivity of silicon wafers irradiated with Kr + ions, which has an approximate Gaussian distribution centered 260 nm into the sample. Our numerical analysis presented here allows for the spatial gradient of thermal conductivity to be extracted via what is fundamentally a volumetric measurement technique. We validate our findings via transmission electron microscopy, which is able to confirm the spatial variation of the sub-surface silicon structure, and provide additional insight into the local structure resulting from the effects of ion bombardment. Thermal measurements found the ion stopping region to have a nearly 50x reduction in thermal conductivity as compared to pristine silicon, while TEM showed the region was not fully amorphized. Our results suggest this drastic reduction in silicon thermal conductivity is primarily driven by structural defects in crystalline regions along with boundary scattering between amorphous and crystalline regions, with a negligible contribution being due to implanted krypton ions themselves.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Thermal conductivity evaluation of ion irradiated Si 3 N 4 and ZrN ceramics using spatial domain thermoreflectance

Nitride ceramics have been investigated for different applications in the nuclear industry, such as space nuclear power, fusion reactor diagnostics and plasma heating, inert matrix fuels, and accident tolerant fuels. Although thermal conductivity remains one of the most important properties to track following irradiation, traditional techniques such as laser flash and xenon flash are limited to bulk sample characterization, which requires lengthy and cost-consuming neutron irradiation. This work used spatial domain thermoreflectance (SDTR) for the micrometer-scale measurement of thermal conductivity in 15 MeV Ni ion-irradiated silicon nitride and zirconium nitride from 1 to 50 dpa and 300 to 700 °C. Here, the SDTR-measured unirradiated thermal conductivity was found to be consistent with the published data on bulk samples. Electrically conductive ZrN exhibits modest reduction after irradiation which is minimal at the highest irradiation temperatures. In electrically insulating Si 3 N 4 , the reduction is more significant and unlike ZrN, the reduction remains significant even at a higher irradiation temperature. The thermal resistance evolution following irradiation was compared with lattice swelling, which was determined using grazing incidence x-ray diffraction, and radiation-induced defects were observed using transmission electron microscopy. A saturation value was observed between 15 and 50 dpa for thermal conductivity degradation in both nitride ceramics and a direct correlation with high-temperature defect recombination was observed, as well as the potential presence of additional carrier scattering mechanisms.

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 OSTI2020

Temperature and processing effects on lithium ion conductivity of solution‐deposited lithium zirconium phosphate (LiZr 2 P 3 O 12 ) thin films

Abstract Lithium zirconium phosphate (LiZr 2 P 3 O 12 ) thin films have been prepared on platinized silicon substrates via a chemical solution deposition approach with processing temperatures between 700°C and 775°C. Films that were subject to a single high‐temperature anneal were found to crystallize at temperatures above 725°C. Crystallization was observed in films annealed after each deposited layer at 700°C and above. In both cases, grain size was found to increase with annealing temperature. Ion conductivity was found to increase with annealing temperature in singly annealed films. In per‐layer annealed films ion conductivity was found to initially increase then decrease with increasing annealing temperature. A maximum ion conductivity of 1.6 × 10 −6 S/cm was observed for the singly annealed 775°C condition, while a maximum ion conductivity of 5.8 × 10 −7 S/cm was observed for the 725°C per‐layer annealed condition. These results are consistent with an increasing influence of cross‐plane, internal interface resistance and vapor phase carrier loss in the per‐layer annealed samples. This work demonstrates that post‐deposition processing methods can strongly affect the ion conducting properties of LiZr 2 P 3 O 12 thin films.

Brummel, Ian A.↗
DOE OSTI2020

Effect of Off-Stoichiometry on Electrical Conductivity in Ni-Fe and Mn-Co Spinel Systems

This study seeks to clarify the effects of off-stoichiometry on the electrical conductivity of spinels in the (Ni,Fe) 3 O 4 and (Mn,Co) 3 O 4 systems. Spinels with the compositions Ni x Fe 3–x O 4 (where x = 0.85, 0.875, 0.9, 1.0, 1.05, and 1.15) and Mn x Co 3–x O 4 (where x = 1.0, 1.2, 1.35, 1.5, 1.75, and 2.0) were prepared using conventional solid-state process. Electrical conductivity measurements were taken between 500 °C and 800 °C using the 4-point DC method. The conductivity in Ni-Fe spinels increased with increasing Fe content. Similarly, the conductivity of Mn-Co spinels increased drastically with increasing Co content. The coefficients of thermal expansion (CTEs) of these samples were also evaluated. All the (Ni,Fe) 3 O 4 spinels were found to exhibit excellent CTE matching with prospective stack components. However, thermal expansion characteristics were highly dependent on the composition in the (Mn,Co) 3 O 4 system, and only a narrow range of compositions was well-matched in CTE with prospective stack components. The significant effect of cation off-stoichiometry and sample preparation on the electrical behavior of spinels was discussed as a possible explanation for the large discrepancies in reported conductivity values for both systems.

08 HYDROGEN↗
DOE OSTI2023

Understanding Chemo-Mechanical Stability of Protonic Ceramic Cells Through Electronic Conduction in the BaCe 0.7 Zr 0.1 Y 0.1 Yb 0.1 O 3-δ Electrolyte

BaCe 0.7 Zr 0.1 Y 0.1 Yb 0.1 O 3-δ (BCZYYb) is a promising ceramic electrolyte for reversible protonic ceramic cells. It is reported that BCZYYb-based cells show excellent long-term durability, particularly in the electrolysis mode, in contrast to the cells based on the conventional electrolyte yttria-stabilized zirconia. In this study, we investigate the chemo-mechanical stability behavior (a low tendency of delamination) of the BCZYYb-based protonic ceramic cells in terms of local electronic conduction in the electrolyte. The local electronic conductivity of the BCZYYb electrolyte is determined using Pt-probe-embedded cells near each electrode interface. The BCZYYb electrolyte exhibits sufficient p-type conductivity (∼10 −3 S cm −1 ) near the oxygen electrode (corresponding p O 2 : 5.27–21 × 10 −2 atm) and n-type conductivity (∼10 −4 S cm −1 ) near the hydrogen electrode (corresponding p O 2 : 0.99–1.30 × 10 −24 atm) at 600 °C. A standard cell is prepared and tested over long-term in the fuel cell (at positive and negative voltages) and electrolysis modes. The cell exhibits stable performance without delamination or cracks in both operating modes, owing to local electronic conduction.

Electrochemistry↗
DOE OSTI2021

High Resolution Aerosol Jet Printed Components with Electrodeposition-Enhanced Conductance

Aerosol Jet Printing (AJP) is one technique of additive manufacturing used in the printing of electronics components. AJP enables the patterning of features at the ~10 μm–100 μm scale based on hardware and print parameters. Additionally, optimization of print conditions enables the printing of high-resolution features with linewidths approaching 10 μm. The aerosol jet printing of electronic parts can be limited by the conductivities which are achievable by Ag nanoparticle inks (typically 15%–25% of bulk Ag). For certain electronics applications, the increased conductivity produces unacceptable loses during operation and methods are needed to increase the conductance of the devices without sacrificing resolution. Here, we report on the AJP of inductor spirals conductor traces of linewidth 50 μm separated by 55 μm gaps. The conductivity of these features is enhanced by electrodeposition of Cu onto the Ag, resulting in a decrease in resistance of 35–45x. Impedance measurements demonstrate that the addition of Cu by electrodeposition to a 27-turn spiral inductor resulted in an inductance of 3.6 μH. Finally, we demonstrate the use of a lift-off process to produce free-standing, flexible, conductive films using AJP.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Superionic conduction using ion aggregates

Project objective: Engineer solid polymeric electrolytes with an optimized, self-assembled, ion network that conducts independently of polymer segmental dynamics. The goal of this project is to engineer an optimized, self-assembled ion aggregate network, by which we can incorporate an aggregate assisted, collective, superionic conduction paradigm into polymeric electrolytes. We do not seek to improve conductivity, although this is a likely result of our approach, but to propose systems in which collective motion is the main conduction mechanism. We believe that once such materials are identified, they will quickly become a subject of research in the solid polymer electrolyte community. With this in mind, we pursue three design strategies: increase ion content in PEG single ion conductors, use mixed anions (including divalent ions as crosslinkers), and introduce swelled polyanion/polycation complexes as a potential ion conducting material.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Carbon Fiber Reinforced Plastic with Substantially Improved Through-plane Thermal Conductivity

Thermal conductivity of carbon fiber support structures that also serve as cooling substrates is of increasing importance for high energy physics detectors. One of the shortcomings of current carbon fiber laminates is that they exhibit excellent thermal conductivity of order several hundred W/(m*K) along the fiber direction, whereas the through plane thermal conductivity perpendicular to the fibers is orders of magnitude lower, and at about 1 W/(m*K) more in the range of thermal insulators. This proposal aims to significantly improve the through plane thermal conductivity, by at least a factor five, changing CFRP from being a thermal insulator to a thermal conductor in the through plane direction. Between June 2021 and December 2022, a total of 36 carbon fiber laminate test samples and two carbon loaded epoxy test samples were manufactured and analyzed for thermal performance. Unfortunately, the promising results obtained with a similar sample manufactured in 2017 were not reproduced. We believe this to be mainly due the excessive age of the carbon fiber prepreg material used for this SBIR - the same material batch, produced in 2015, was used in 2017 and in 2021/2022, i.e. the material was seven years old when the final samples were produced - , and to a lesser degree to the difference in pressure attainable with the 2017 and 2021/2022 laminate curing setups. While disappointing, the results are not completely discouraging, since for the samples with the highest compression the through-plane thermal conductivities plotted as a function of per-ply thickness extrapolate well to the data point from the 2017 sample.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Crystal Structure and Preparation of Li7La3Zr2O12 (LLZO) Solid-State Electrolyte and Doping Impacts on the Conductivity: An Overview

As an essential part of solid-state lithium-ion batteries, solid electrolytes are receiving increasing interest. Among all solid electrolytes, garnet-type Li7La3Zr2O12 (LLZO) has proven to be one of the most promising electrolytes because of its high ionic conductivity at room temperature, low activation energy, good chemical and electrochemical stability, and wide potential window. Since the first report of LLZO, extensive research has been done in both experimental investigations and theoretical simulations aiming to improve its performance and make LLZO a feasible solid electrolyte. These include developing different methods for the synthesis of LLZO, using different crucibles and different sintering temperatures to stabilize the crystal structure, and adopting different methods of cation doping to achieve more stable LLZO with a higher ionic conductivity and lower activation energy. It also includes intensive efforts made to reveal the mechanism of Li ion movement and understand its determination of the ionic conductivity of the material through molecular dynamic simulations. Nonetheless, more insightful study is expected in order to obtain LLZO with a higher ionic conductivity at room temperature and further improve chemical and electrochemical stability, while optimal multiple doping is thought to be a feasible and promising route. This review summarizes recent progress in the investigations of crystal structure and preparation of LLZO, and the impacts of doping on the lithium ionic conductivity of LLZO.

Raju, Md Mozammal (ORCID:0000000319040523)↗
DOE OSTI2023

Optimization of Conductive Fins to Minimize UO2 Fuel Temperature and Radial Temperature Gradient

To further the development of low-enriched uranium fuels, precedence has been placed on delivering the same amount of power while lowering the fuel temperature and radial temperature gradient. To address this, modeling efforts have resulted in a novel design featuring conductive fins of varying thermal conductivities and geometries inserted into the fuel matrix. These conductive inserts were not allowed to exceed 6% of the original fuel volume. This constraint was imposed due to other designs displacing 10% of fuel volume. A parametric study was performed that consisted of 2.56 million BISON simulations involving varying fin characteristics (i.e., fin thermal conductivity, number, and geometry) to determine the optimal geometric configuration for a desired amount of fuel volume displaced. The results from this study show that the thickness and length of each fin affect the fuel temperature and temperature gradient more than varying the number and thermal conductivity of the fins. The parametric study resulted in the development of an optimized combination to produce the lowest peak fuel temperature, lowest radial temperature gradient, and highest temperature reduction for the amount of original fuel volume displaced. The simulations presented in this work will eventually be compared with irradiation experiments of similar fuel designs at Idaho National Laboratory’s Advanced Test Reactor.

Paaren, Kyle M.↗
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↗