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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Remarkable enhancement in thermal conductivity of stainless-steel leveraging metal composite via laser powder bed fusion: 316L-Cu composite

This work aimed to significantly enhance the thermal conductivity of the SS matrix by fabricating a metal composite SS-Cu system utilizing a laser powder bed fusion process. The impact of process parameters on the microstructure of SS-Cu samples is investigated. Here, the processing and post-processing factors that influence the effective thermal conductivity of the metal composite SS-Cu system are discussed. Then, the effective thermal conductivity and mechanical properties of the SS-Cu composite are measured at room temperature and operating temperature of 300 °C. The optimized laser powder bed fusion parameters led to low Marangoni convection, high cooling rate, greater macro-segregation, and higher thermal conductivity values albeit at the cost of ductility in SS-Cu metal composite likely due to the presence of the unmelted powder particles. As-printed SS-60 vol % Cu and annealed SS-60 vol % Cu had 2.5X and 6.6X thermal conductivity enhancement, respectively. During annealing, phase separation, partial melting of Cu, and formation of a continuous network of Cu surrounding SS play a key role in enhancing the thermal conductivity of the SS-Cu metal composite structure.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Accelerated computation of lattice thermal conductivity using neural network interatomic potentials

We report with the development of the density functional theory (DFT) and ever-increasing computational capacity, an accurate prediction of lattice thermal conductivity based on the Boltzmann transport theory becomes computationally feasible, contributing to a fundamental understanding of thermal conductivity as well as a choice of the optimal materials for specific applications. However, steep costs in evaluating third-order force constants limit the theoretical investigation to crystals with high symmetry and few atoms in the unit cell. Currently, machine learning potentials are garnering attention as a computationally efficient high-fidelity model of DFT, and several studies have demonstrated that the lattice thermal conductivity could be computed accurately via the machine learning potentials. However, test materials were mostly crystals with high symmetries, and the applicability of machine learning potentials to a wide range of materials has yet to be demonstrated. Furthermore, establishing a standard training set that provides consistent accuracy and computational efficiencies across a wide range of materials would be useful. To address these issues, herein we compute lattice thermal conductivities at 300 K using neural network interatomic potentials. As test materials, we select 25 materials with diverse symmetries and a wide range of lattice thermal conductivities between 10 -1 and 10 3 Wm -1 K -1 . Among various choices of training sets, we find that molecular dynamics trajectories at 50–700 K consistently provide results at par with DFT for the test materials. In contrast to pure DFT approaches, the computational cost in the present approach is uniform over the test materials, yielding a speed gain of 2–10 folds. When a smaller reduced training set is used, the relative efficiency increases by up to ~50 folds without sacrificing accuracy significantly. The current work will broaden the application scope of machine learning potentials by establishing a robust framework for accurately computing lattice thermal conductivity with machine learning potentials.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Thermal conductivity measurement using modulated photothermal radiometry for nitrate and chloride molten salts

Molten salts are being used or explored for thermal energy storage and conversion systems in concentrating solar power and nuclear power plants. Thermal conductivity of molten salts is an important thermophysical property dictating the performance and cost of these systems, but its accurate measurement has been challenging, as evidenced by wide scattering of existing data in literature. The corrosive and conducting nature of these fluids also leads to time consuming sample preparation processes of many contact-based measurements. Here, in this work, we report the measurement of thermal conductivity of molten salts using a modulated photothermal radiometry (MPR) technique, which is a laser-based, non-contact, frequency-domain method adopted for molten salts for the first time. By unitizing the advantages of front side sensing of frequency-domain measurements and the vertical holder orientation, the technique can minimize the natural convection and salt creeping effects, thus yielding accurate molten salt thermal conductivity . The MPR technique is first calibrated using standard molten materials including paraffin wax and sulfur. It is then applied on measuring pure nitrate salts (NaNO 3 and KNO 3 ), solar salt (NaNO 3 –KNO 3 mixture), and chloride salt (NaCl–KCl–MgCl 2 ). The measurement results are compared with data from literature, especially those obtained from laser flash analysis (LFA). Our results demonstrate that the MPR is a convenient and reliable technique of measuring thermal conductivity of molten salts. Accurate thermal conductivity data of molten salts will be valuable in developing the next-generation high-temperature thermal energy storage and conversion systems.

14 SOLAR ENERGY↗
DOE OSTI2024

Thermal conductivity suppression in uranium-doped thorium dioxide due to phonon-spin interactions

In this work, impact of low level of uranium (U) atom substitution on thermal conductivity of thorium dioxide (ThO 2 ) is investigated. ThO 2 is an electronic insulator with a wide optical band-gap and no unpaired electrons whose thermal transport is governed by phonons. U-substitution introduces unpaired f-electrons resulting in paramagnetic behavior of U-ThO 2 at room temperature, which significantly suppresses its thermal conductivity. A single crystal of U-ThO 2 with graded composition of U is grown using a hydrothermal synthesis method, and thermal conductivity measurements are performed in regions with uniform composition of U at levels of 0%, 6%, 9% and 16%. Measured thermal conductivity profiles over 77–300 K temperature range are analyzed using an analytical expression for phonon-mediated thermal transport based on Klemens-Callaway model. Temperature dependent thermal conductivity is found to deviate significantly from the Rayleigh scattering trend expected for a simple substitutional point defect with a small perturbation to mass and interatomic forces. With the resonant scattering term, observed large suppression of thermal conductivity at low temperatures can be closely reproduced. Additionally, the extracted phonon-spin coupling constants imply a nonlinear relation of phonon-spin interaction intensity with respect to U doping percentage. Our study reveals how phonon-spin scattering contributed by unpaired f-electrons in U atoms influences thermal transport in the U-ThO 2 system.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Enhancing thermal conductivity of UO 2 with the addition of UB 2 via conventional sintering techniques

We report that uranium dioxide has been the primary fuel type used in light water reactors for more than 40 years and proven to be reliable and robust. However, the Fukushima-Daiichi nuclear accident has motivated new work evaluating fuels with characteristics promoting accident tolerance, including enhanced thermal conductivity. Recently, additives have been investigated to increase thermal conductivity, but research has been largely focused on non-fissile additions. This study investigated the use of fissile additives to not only increase the thermal conductivity but also increase the uranium loading. Uranium diboride was chosen as the additive for this study due to its promising corrosion behavior as well as its significantly higher thermal conductivity at 573 K (25 Wm -1 K -1 ) when compared to UO 2 (7 Wm -1 K -1 ). Uranium diboride powder was fabricated via the arc melting technique and a ball milling process prior to mixing with UO 2 in a 90/10 wt% UO 2 /UB 2 ratio. Green bodies were made using a uniaxial die and subjected to a traditional pressureless sintering technique at 2073 K in argon. Sintered samples were analyzed via laser flash analysis for thermal diffusivity and differential scanning calorimetry for specific heat capacity in order to calculate thermal conductivity. The samples displayed an increase of 36-55% in thermal conductivity between 323 K and 1273 K when compared to the benchmark samples (pure UO 2 ) as reported in open literature.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Design concept of co-ionic conducting solid oxide electrolyte for stable operation in a cell-imbalanced fuel cell stack

A bilayer composite electrolyte comprising BaCe 0.85 Y 0.15 O 3-d (BCY15) – Gd 0.2 Ce 0.8 O 2-d (GDC20) at the anode side and BaZr 0.85 Y 0.15 O 3-d (BZY15) – Nd 0.1 Ce 0.9 O 2-d (NDC10) at the cathode side is designed for improving the stability of co-ionic conducting solid oxide fuel cells (SOFCs) in a cell imbalanced stack. Contrary to the single layer structured SOFCs, the bi-layer cell stably operates without electrode delamination under negative voltage conditions. We measure local internal p O 2 values using embedded Pt probes. Based on these values, local electronic conduction is estimated in combination with four probe DC conductivity measurements. It is found that n-type conductivity (~10 –3 Scm –1 ) and p-type conductivity (10 –5 –10 –4 Scm –1 ) are developed in the BCY15-GDC20 near the anode side and in the BZY15-NDC10 near the cathode side, respectively. Finally, the results indicate that local electronic conduction in electrolyte regions near both the anode and cathode interfaces is a crucial factor for the durability of co-ionic SOFCs under negative voltage operation. We therefore suggest the bi-layer configuration as a practical solution to protect co-ionic SOFCs in a cell-imbalanced stack.

25 ENERGY STORAGE↗
DOE OSTI2012

Structure, thermal expansion and electrical conductivity of Nb-substituted LaCoO{sub 3}

The effect of Nb-substitution in LaCoO{sub 3} has been examined by evaluating the electrical conductivity, thermal expansion and crystal structure of the solid solutions LaCo{sub 1-x}Nb{sub x}O{sub 3} (x=0 to 1/3). It was demonstrated that Nb-substitution in LaCoO{sub 3} was mainly compensated by reduction of Co{sup 3+} to Co{sup 2+}, and that oxidation of Co{sup 2+} could destabilise the solid solution. The ambient crystal structure was shown to transform from rhombohedral R3{sup Macron }c perovskite (x=0) to orthorhombic Pbnm (x=0.15, 0.20) and finally to B-site ordered perovskite P2{sub 1}/n (x=0.25, 1/3) perovskite with increasing Nb-substitution. The thermal expansion of LaCo{sub 1-x}Nb{sub x}O{sub 3} was shown to be strongly depressed with increasing Nb-content, and significantly lower thermal expansion was observed for LaCo{sub 2/3}Nb{sub 1/3}O{sub 3} relative to LaCoO{sub 3}. The electrical conductivity was reduced with increasing Nb-content, and semi-conducting properties was demonstrated for LaCo{sub 1-x}Nb{sub x}O{sub 3} in contrast to the metallic behaviour of pure LaCoO{sub 3} at elevated temperature. The thermal expansion, electrical conductivity and the stability of the materials were discussed with emphasis on Co/Nb ordering, the oxidation state and spin transitions of Co. - Graphical abstract: Substitution of Nb in LaCoO{sub 3} increases the unit cell volume, reduces the symmetry of the unit cell and introduces cation ordering. The chemical substitution leads to suppression of the electronic conductivity and reduces the thermal expansion of the lattice. Highlights: Black-Right-Pointing-Pointer Cation ordering and crystal structure is reported for LaCo{sub x}Nb{sub 1-x}O{sub 3}. Black-Right-Pointing-Pointer Substitution of Nb in LaCoO{sub 3} is compensated by reduction of Co{sup 3+} to Co{sup 2+}. Black-Right-Pointing-Pointer Thermal expansion of LaCoO{sub 3} is reduced by Nb-substitution. Black-Right-Pointing-Pointer Electrical conductivity of LaCoO{sub 3} is reduced by Nb-substitution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Fergusonite-type CeNbO{sub 4+δ}: Single crystal growth, symmetry revision and conductivity

Large fergusonite-type (ABO{sub 4}, A=Ce, B=Nb) oxide crystals, a prototype electrolyte composition for solid oxide fuel cells (SOFC), were prepared for the first time in a floating zone mirror furnace under air or argon atmospheres. While CeNbO{sub 4} grown in air contained CeNbO{sub 4.08} as a minor impurity that compromised structural analysis, the argon atmosphere yielded a single phase crystal of monoclinic CeNbO{sub 4}, as confirmed by selected area electron diffraction, powder and single crystal X-ray diffraction. The structure was determined in the standard space group setting C12/c1 (No. 15), rather than the commonly adopted I12/a1. AC impedance spectroscopy conducted under argon found that stoichiometric CeNbO{sub 4} single crystals showed lower conductivity compared to CeNbO{sub 4+δ} confirming interstitial oxygen can penetrate through fergusonite and is responsible for the higher conductivity associated with these oxides. - Graphical abstract: Large fergusonite-type CeNbO{sub 4} crystals were prepared for the first time in a floating zone mirror furnace. Crystal growth in an argon atmosphere yielded a single phase monoclinic CeNbO4, as confirmed by selected area electron diffraction, powder and single crystal X-ray diffraction. The structure was determined in the standard space group setting C12/c1 (No. 15), rather than the commonly adopted I12/a1. AC impedance spectroscopy found CeNbO{sub 4} single crystals showed lower conductivity compared to CeNbO{sub 4+δ} confirming interstitial oxygen can penetrate through fergusonite and is responsible for the higher conductivity associated with these oxides. Highlights: • Preparation of single crystals of CeNbO{sub 4} using a floating zone mirror furnace. • Correction to the crystal symmetry of the monoclinic form of CeNbO{sub 4}. • Report the conductivity of a single crystal of CeNbO{sub 4}.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Synthesis and investigation of proton conductivity for intercalated kaolinite with 4-amidinopyridinium chloride

The proton-conducting materials have potential application in devices such as fuel cells. In this study, a mineral kaolinite-based proton conducting material, kaolinite-4-amidinopyridinium hydrochloride (K-4-APy–HCl), was synthesized by the intercalated compound kaolinite-4-amidinopyridine (K-4-APy) adsorbing volatilizing HCl. The thermogravimetric analysis (TG), powder X-ray diffraction (PXRD) and IR spectrum confirmed the HCl successfully inserting into the interlayer space of kaolinite and the 4-aminopyridine being protonated. The intercalation efficiency is estimated to be ca. 85.6%. With respect to K-4-APy, the interlayer space expends by 1.53 Å. The thermal decomposition mechanism was studied by PXRD and TG techniques. The K-4-APy–HCl shows proton conductivity with σ=3.379×10{sup −8} S cm{sup −1} at 373 K and E{sub a}=1.159 eV in the anhydrous condition, which are comparable to MOFs-based proton conducting materials. - Graphical abstract: The intercalated hybrid of mineral kaolinite with 4-amidinopyridinium hydrochloride is prepared to use as proton conducting material. - Highlights: • A new strategy is proposed for preparation of kaolinite-based proton conductor. • Intercalatied hybrid was prepared by sequentially inserting 4-amidinopyridine and adsorbing HCl. • The proton conductivity of intercalated hybrid is comparable to MOFs-based proton-conductors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Sodium superionic conduction in tetragonal Na{sub 3}PS{sub 4}

Highlights: • Na{sub 3}PS{sub 4} base solid electrolytes were fabricated by various synthetic routes. • The formation of phases in Na{sub 3+5x}P{sub 1–x}S{sub 4} depends on reaction conditions. • Tetragonal phase III showed the highest conductivity of 3.39 × 10{sup -3} S cm{sup -1}at 25 °C. • Structural analysis revealed the 3D conduction pathway in the tetragonal phase III. • Na{sub 3}PS{sub 4} functions as a solid electrolyte in all-solid-state sodium batteries. - Abstract: Sodium superionic conductors are highly promising as solid electrolytes for all-solid-state sodium batteries, with the capacity to improve energy and power density of liquid-electrolyte-based batteries and to address their safety issues. However, the ionic conductivity of sodium electrolytes remains roughly one order of magnitude lower than that of lithium systems. Herein, we report a synthesis method for a sodium superionic conductor, tetragonal Na{sub 3}PS{sub 4}, with an ionic conductivity of 3.39 × 10{sup −3} Scm{sup −1} at 25 °C—the highest value yet reported among sulfide-type sodium conductors. The high conductivity is achieved through quenching from 700 °C, which introduces sodium vacancies, and annealing at 450 °C, which increases vacancies and expands lattice volume. The phase is comprised of a framework of isolated PS{sub 4} tetrahedra, with partial distribution of Na over 3D pathways. The high intrinsic conductivity together with low grain boundary contribution and soft mechanical properties make Na{sub 3}PS{sub 4} a promising candidate for sodium solid electrolytes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Effect of graphite morphology on the tensile strength and thermal conductivity of cast iron

Highlights: • The graphite morphology is characterized from 3D structure using X–ray tomography. • The size, distribution, shape and interconnectivity of graphite are estimated. • The influences of graphite morphology on tensile properties and thermal conductivity are evaluated. • The mechanism of tensile strength and the model of thermal conductivity are discussed. - Abstract: Graphite morphology is a very important parameter affecting the properties of cast iron. In this study, the graphite morphology was characterized using both 3D and 2D structures. The experimental results revealed that when the graphite was less spheroidal, the graphite had greater interconnectivity in the 3D structure of the cast iron. The size, distribution, volume fraction, and shape of the graphite were estimated. Moreover, the influences of the graphite's morphology, size, and distribution on the tensile property and thermal conductivity at different temperatures were estimated. The experimental results revealed that with an increase in temperature, the thermal conductivity initially increased, and then decreased, whereas the tensile strength decreased slightly at first, and then decreased rapidly. In addition, with an increase in the percentage of compacted graphite, the tensile strength decreased and the thermal conductivity increased. The fracture surfaces of tensile specimens were also estimated. Finally, the mechanism of tensile strength and the model of thermal conductivity were investigated.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Synthesis, thermal expansion and high-temperature electrical conductivity of Co-doped (Y,Ca)FeO{sub 3−δ} with orthorhombic perovskite structure

Highlights: • (Y,Ca)(Fe,Co)O{sub 3−δ} was prepared via citrate-based route with annealing at 1150–1200 °C. • Y{sub 0.9}Ca{sub 0.1}Fe{sub 0.8}Co{sub 0.2}O{sub 3−δ} demonstrates low thermal expansion coefficient of 11.9 ppm K{sup −1}. • Oxides do not react with YSZ and GDC up to 1000 °C and 1100 °C, respectively. • Compounds demonstrate higher electrical conductivity in comparison with Y{sub 0.9}Ca{sub 0.1}FeO{sub 3}. • Pr-doped (Y,Ca)(Fe,Co)O{sub 3−δ} demonstrate both higher electrical conductivity and TEC. - Abstract: Orthorhombic perovskites Y{sub 1−x}Ca{sub x}Fe{sub 1−y}Co{sub y}O{sub 3−δ} (0.1 ≤ x ≤ 0.2, 0.1 ≤ y ≤ 0.2 and x = 0.1, y = 0.3) were synthesized in air by the citrate route at 1150–1300 °C. High-temperature X-ray powder diffraction (HT XRPD) data for Y{sub 0.9}Ca{sub 0.1}Fe{sub 0.8}Co{sub 0.2}O{sub 3−δ} at 25–800 °C showed no phase transition with calculated thermal expansion coefficient (TEC) of 11.9 ppm K{sup −1}. High-temperature electrical conductivity measurements revealed almost composition independent conductivity values of 22–27 S/cm at 900 °C. No chemical interaction of Y{sub 0.8}Ca{sub 0.2}Fe{sub 0.9}Co{sub 0.1}O{sub 3−δ} with (Zr,Y)O{sub 2−x} (YSZ) or (Ce,Gd)O{sub 2−x} (GDC) was observed up to 1000 °C and 1100 °C, respectively. Partial replacement of Y by Pr according to formula Y{sub 0.8−z}Pr{sub z}Ca{sub 0.2}Fe{sub 0.7}Co{sub 0.3}O{sub 3−δ}, 0.1 ≤ z ≤ 0.35, leads to an increase of both electrical conductivity up to 50 S/cm (z = 0.3) at 900 °C and dilatometry measured TEC up to 15.1 ppm K{sup −1}. Moderate values of electrical conductivity in combination with low TEC and stability towards chemical interaction with typical SOFC electrolytes make Co-doped Y{sub 1−x}Ca{sub x}FeO{sub 3−δ} promissing cathode materials for intermediate temperature solid oxide fuel cells (IT-SOFC)

36 MATERIALS SCIENCE↗
DOE OSTI2016

Impedance spectroscopy and conduction mechanism of LiAlP{sub 2}O{sub 7} material

Highlights: • X-ray diffraction analysis reveals the structure for LiAlP{sub 2}O{sub 7} compound. • Modulus study confirmed the grain relaxation. • The equivalent circuit consists of parallel combination of (R{sub g}//CPE{sub g}) series for region I and (R{sub g}//CPE{sub g}) series with CPE{sub e} for region II. • The conductivity is due to CBH model for region I and NSPT model for region II. - Abstract: LiAlP{sub 2}O{sub 7} compound has been obtained by standard solid-state reaction technique and found to crystallize in the monoclinic system with P2{sub 1/a} space group. The impedance plots are well fitted to two equivalent circuit models. The dc conductivity follows Arrhenius behavior with two different activation energies Ea(I) = 0.84 eV for T < 610 K and Ea(II) = 0.93 eV for T > 610 K. Actually, the values of activation energies obtained from the dc conductivity and the relaxation frequency are similar, and hence the transport in the titled compound can be described through a hopping mechanism, dominated by the motion of Li{sup +} ions. Besides, the frequency dependence of the conductivity is interpreted in terms of Jonscher’s law. The NSPT model and the CBH model is the most applicable conduction mechanism in region (I) and (II), respectively. The ion transport is due to the hopping of Li{sup +} ions along [100] tunnels direction. The conduction mechanism is studied with the help of Elliot’s theory, and the Elliot’s parameters are determined.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Seebeck coefficient and thermal conductivity of doped armchair graphene nanoribbon in the presence of magnetic field

Highlights: • Theoretical calculation of Seebeck coefficient and thermal conductivity of electrons on grapheme nanoribbon. • The investigation of the effect of magnetic field and ribbon width on temperature dependence of thermoelectric properties of nanoribbon. • The study of thermopower as a function of magnetic field and temperature. - Abstract: We address the thermal conductivity and Seebeck coefficient of armchair graphene nanoribbon within tight binding model Hamiltonian in the presence of magnetic field. The possible effects of ribbon width, magnetic field chemical potential on thermoelectric properties are investigated. Green's function approach has been employed in order to calculate transport coefficients of the system. We have also found the temperature dependence of the thermal conductivity for various ribbon widths and chemical potentials. Our results show a peak appears in temperature dependence of thermal conductivity of insulator nanoribbon for low magnetic fields. Upon increasing magnetic field, thermal conductivity shows a monotonic decreasing behavior and peak disappears. Our results show the increase of chemical potential causes to decreasing behavior for thermal conductivity. Moreover we study the effects of magnetic field on temperature behavior of thermopower of insulator graphene nanoribbon in details.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Alternating current conduction mechanisms of RbMgPO4 compound

Highlights: • Two displacive reversible phase transitions located at T{sub 1} = 442/432 K and T{sub 2} = 460/445 K (heating/cooling). • The temperature dependence of conductivity was described in terms of Arrhenius relation. • The ac conductivity of this compound is proportional to ω{sup s} where the s values are between 0 and 2. • The (CBH) model was found to be the appropriate transport mechanism in RbMgPO{sub 4} compound. - Abstract: Rubidium magnesium monophosphate (RbMgPO{sub 4}) compound was prepared from highly pure constituents by solid state reaction. It was characterized by X-ray powder diffraction, IR, Raman, differential scanning calorimetry (DSC) and impedance spectroscopy. The infrared and Raman spectra were interpreted on the basis of PO{sub 4}{sup 3−} vibrations. DSC revealed two displacive and reversible phase transitions at T{sub 1} = 442/432 K and T{sub 2} = 460/445 K (heating/cooling). The electrical conductivity was measured in the frequency and temperature range 200 Hz-5 MHz and 423 K–523 K, respectively. The obtained results were analysed by fitting the experimental data to an equivalent circuit model. The temperature dependence of alternating and direct current conductivities (σ{sub ac}, σ{sub dc}) confirms the observed transitions in the calorimetric study; they were described in terms of Arrhenius relation. The activation energy’s values were determined in each phase. The AC conductivity behavior is ensured by a single process defined as a hopping transport mechanism. The conductivity frequency dependence was interpreted using the correlated barrier-hopping model (CBH) in all phases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Heat transfer coefficients of moving particle beds from flow-dependent thermal conductivity and near-wall resistance

Accurate determination of heat transfer coefficients for flowing packed particle beds is essential to the design of particle heat exchangers and other thermal and thermochemical equipment. While such dense granular flows mostly fall into the well-known plug-flow regime, the discrete nature of granular materials alters the thermal transport processes in both the near-wall and bulk regions of flowing particle beds from their stationary counterparts. As a result, heat transfer correlations based on the stationary particle bed thermal conductivity could be inadequate for flowing particles in a heat exchanger. Most earlier works have achieved a reasonable agreement with experiments by treating granular heat transfer media as a plug-flow continuum with a near-wall thermal resistance in series. However, the thermal conductivity values of the continuum were often obtained from measurements on stationary beds owing to the difficulty of flowing bed measurements. In this work, it was found that the properties of a stationary bed are highly sensitive to the method of particle packing and there is a decrease in the particle bed thermal conductivity and increase in the near-wall thermal resistance, measured as an effective air gap thickness, on the onset of particle flow. These variations in thermal conductivity of stationary and flowing particle beds can lead to errors in heat transfer coefficient calculations. Therefore, the heat transfer coefficients for granular flows were calculated using experimentally determined flowing particle bed thermal conductivity and near-wall air gap for ceramic particles – CARBO CP 40/100 (mean diameter = 275 µm), HSP 40/70 (404 µm) and HSP 16/30 (956 µm); at velocities of 5–15 mm·s –1 ; and temperatures of 300–650 °C. The thermal conductivity and air gap values for CP 40/100 and HSP 40/70 were further used to calculate heat transfer coefficients across different particle bed temperatures and velocities for different parallel-plate heat exchanger dimensions. Furthermore, these calculations, which show good agreement with measured HTC values reported in literature, can be used as a guide for heat exchanger designs. Graphical abstract

14 SOLAR ENERGY↗
DOE OSTI2019

Reduced de-doping and enhanced electrical conductivity of polyaniline filled phenol-divinylbenzene composite for potential lightning strike protection application

In this study, phenolic resin was mixed with a cross-linking agent divinylbenzene (DVB) to prepare a polyaniline-based electrically-conductive thermosetting polymer composite. It has been shown that this Phenol-DVB mixture can undergo cationic polymerization in the presence of the dodecylbenzene sulfonic acid (DBSA)-doped polyaniline (PANI). Composites with different weight ratios of phenolic resin and DVB were mixed with a fixed weight of DBSA-PANI (i.e. 30 wt. %). Increasing the phenol content in the resin system was found to improve the electrical conductivity of the composite to almost 2700%. This improvement has been assigned to the reduced de-doping of polyaniline in phenol-DVB resin. Active sites of phenol effectively attached to the β carbon of DVB and reduced the proton subtracting species of DVB, leading to reduced de-doping of PANI. This behavior was studied through various characterization techniques including differential scanning calorimetry (DSC), FT-IR spectroscopy and Scanning Electron Microscopy (SEM). Electrical conductivity measurement, mechanical properties, and in-situ electrical conductivity measurements were performed to find the optimized properties of the composite. Optimized composites prepared with the composition of 30 wt. % DBSA-PANI and 70 wt. % of phenol-DVB (50 wt. % each), have shown electrical conductivity of 0.20 S/cm and a flexural modulus of 2.1 GPa, which is a significant improvement in the flexural properties of polymer based-thermosetting composites with similar electrical conductivity. Lastly, this material can be a potential candidate for the lightning strike protection of fiber reinforced plastics.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Advancing ionomer design to boost interfacial and thin-film proton conductivity via styrene-calix[4]arene-based ionomers

Sub-micrometer-thick ion-conducting polymer (ionomer) layers often suffer from poor ionic conductivity at the substrate/catalyst interface. The weak proton conductivity makes the electrochemical reaction at the cathode of proton-exchange-membrane fuel cells sluggish. To address this, here we report on a class of polystyrene-based ionomers having sub-nanometer-sized, sulfonated macrocyclic calix[4]arene-based pendants (PS-calix). In films with thickness comparable to that of ionomer-based binder layers, the conductivity of PS-calix film (~41 mS/cm) is ~13 times higher than that of the current state-of-the-art ionomer, Nafion. We observe a similar improvement in proton conductivity when PS-calix interfaces with Pt nanoparticles, demonstrating the potential of PS-calix in catalyst ink. Leveraging a favorable interfacial chemical composition, PS-calix enhances proton conduction at the film-substrate interface, a shortcoming of Nafion. Moreover, the water in PS-calix films diffuses faster than bulk water and the water confined in Nafion films, suggesting an important role played by sub-nanometer-sized calix[4]arene cavities in creating unique water/ion transport pathways.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗