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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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We summarize the influence of polymer coatings on cathode particles for electrochemical energy storage applications. We report on the effect of different polymer types, their properties, and their influence on thermo-electro-chemical behavior.
This project aims to design cost-effective thermal/environmental barrier coatings (TEBC) based on high entropy rare earth disilicates to protect SiC-based ceramic matrix composites from chemical and thermal attack for better performance of components in the hot section of gas turbine engines. To accelerate the alloy design, we utilize first-principles density functional theory (DFT) together with combinatorial chemistry methodology to predict key properties including phase stability, apparent bulk coefficient of thermal expansion (ABCTE), intrinsic lattice thermal conductivity, and temperature-dependent elastic constants. Specifically, this project focuses on β-RE2Si2O7 (RE=Yb, Y, Er, Lu, La, Ce,) with β-Yb2Si2O7 and β-Y2Si2O7 as the benchmark. Our DFT calculations predict that Er1/4Lu1/4Y3/4Yb3/4Si2O7 and Er1/2Lu1/2Y1/2Yb1/2Si2O7 have ultralow lattice thermal conductivity < 0.23 W/m/K at 1500 K and a good match of average ABCTE (5.1 - 5.2×10-6 K-1) with SiC. Owing to the low cost and abundant supply of Ce and La, the A- and G-La2Si2O7/Ce2Si2O7 disilicates are also studied. Our study shows that G-phase Ce2Si2O7 has an ultralow thermal conductivity (0.26 W/m/K at 1500 K) and the apparent bulk ABCTE (≈6.9×10-6 K-1) slightly higher than SiC, demonstrating great potential as low-cost high-performance T/EBC. However, La2Si2O7 and Ce2Si2O7 undergo an A-phase to G-phase polymorphic transition at around 1470 K.
Steel pipelines are a safe, reliable, and affordable way to transport natural gas. However, the presence of impurities (e.g., water, carbon dioxide, and hydrogen sulfide) in the natural gas can cause internal corrosion, which can lead to pipeline leaks and failure. This paper reports on field tests of an innovative self-healing, corrosion-resistant, metallic coating developed at the National Energy Technology Laboratory (NETL) for protecting the interior surfaces of pipelines.
High-entropy oxides (HEOs) composed of multiple metal elements have attracted great attention as anode materials for lithium-ion batteries (LIBs) due to the synergistic effects of various metal species. However, the practical applications of HEOs are still plagued by poor conductivity, unstable solid electrolyte interphase (SEI) and poor cycling stability. In this work, nanosized (FeCoNiCrMn) 3 O 4 HEO (NHEO) is prepared successfully by the NaCl-assisted mechanical ball-milling strategy. Novelly, polyacrylonitrile (PAN) is used as the binder and then in situ thermochemically cyclized to construct a cyclized PAN (cPAN) outer layer onto NHEO (NHEO-cPAN). The in situ formed cPAN coating not only improves the electrical conductivity, but also reinforces the structural and interfacial stability, and thereby, the resulted NHEO-cPAN electrode exhibits significantly enhanced rate and cyclic performance. Specifically, NHEO-PAN500 electrode delivers a high reversible capacity of 560 mAh g –1 at 5 A g –1 and a high-capacity retention of 83% over 800 cycles at 3 A g –1 . Furthermore, the structural evolution and electrochemical behavior of NHEO-PAN electrode during discharge/charge is systematically investigated by operando X-ray diffraction, in situ impedance spectroscopy and ex situ high-resolution transmission electron microscopy. Therefore, this work provides new insights into the engineering of electrode and interphase for high-performance HEO electrode materials, potentially enlightening the practical applications of HEO-based LIBs.
Pebble bed reactors (PBRs) can improve the safety and economics of the nuclear energy production. PBRs rely on TRIstructural-ISOtropic (TRISO) fuel pebbles for enhanced fission product retention. Accurate characterization of individual fuel pebbles would enable the validation of computational models, efficient use of TRISO fuel, and improve fuel accountability. Here, we have developed and tested a new neutron multiplicity counter (NMC) based on 192 boron coated straw (BCS) detectors optimized for 235 U assay in TRISO fuel. The new design yielded a singles and doubles neutron detection efficiency of 4.71% and 0.174%, respectively, and a die-away time of 16.7 μs. The NMC has a low intrinsic gamma-ray detection efficiency of 8.71 x 10 –8 at an exposure rate of 80.3 mR/h. In simulation, a high-efficiency version of the NMC encompassing 396 straws was able to estimate the 235 U in a pebble with a relative uncertainty and error both below 2% in 100 s.
Development of low-cost advanced thermal/environmental barrier coating (T/EBC) materials with acceptable thermal and mechanical properties is essential for safeguarding ceramic composites substrate against thermal and chemical degradation, thereby enhancing the efficiency of components in the high-temperature section of gas turbine engines. To this end, here we employed density functional theory-based approaches to predict the thermodynamic, mechanical, and thermal properties of rare earth disilicates based on abundant rare earth elements, namely La 2 Si 2 O 7 and Ce 2 Si 2 O 7 , as potential alternatives to the current-state-of-the-art ytterbium disilicate EBCs that uses expensive and scarce element Yb. The present study predicts that G-phase Ce 2 Si 2 O 7 has an ultralow thermal conductivity (0.26 W/m/K at 1500 K) and the apparent bulk coefficient of thermal expansion (ABCTE) (≈6.9x10 -6 K -1 ) slightly higher than SiC, demonstrating great potential as low-cost high-performance T/EBC. However, La 2 Si 2 O 7 and Ce 2 Si 2 O 7 undergo an A- to G-phase polymorphic transition at around 1470 K, resulting in significant changes to crystal structure and lattice parameters, and accordingly CTE and lattice thermal conductivity.
Here, hot corrosion behaviour of a β-NiAl coating induced by Na 2 SO 4 , K 2 SO 4 , and Na 2 SO 4 -K 2 SO 4 deposits was investigated at 700 °C in air + 300 ppm SO 2 . To provide an insight into the corrosion mechanisms, phase equilibria of the Na 2 SO 4 -K 2 SO 4 -NiO-SO 3 system were calculated using an in-house developed thermodynamic database. The attack rates and morphologies could be correlated with the deposit compositions and their reactions with oxides. K 2 SO 4 and Na 2 SO 4 -K 2 SO 4 deposits are more corrosive than Na 2 SO 4 . This is attributed to a reduction of the melting temperature of the deposit and the formation of Ni-containing mixed sulphate phases in the presence of K 2 SO 4 .
The effect of MgSO 4 addition on alkali sulphates induced hot corrosion of a β-NiAl coating was studied by performing a series of tests with deposits of Na 2 SO 4 , Na 2 SO 4 -20 %K 2 SO 4 and Na 2 SO 4 -12 %K 2 SO 4 -35 %MgSO 4 (mol.% for all) at 700 °C in air with addition of SO 2 . For elucidating the observed corrosion phenomena, various salt-oxide/NiAl powder mixtures were exposed to the same hot corrosion test conditions. Two pseudo-binary phase diagrams of the Na, K, Mg-sulphate systems were calculated using an in-house developed thermodynamic database. Addition of MgSO 4 to Na 2 SO 4 -20 %K 2 SO 4 deposit salt inhibited the hot corrosion attack during 24 h exposure, which is related to consumption of aggressive K 2 SO 4 by the formation of solid K 2 Mg 2 (SO 4 ) 3 . However, extending the exposure with Na 2 SO 4 -12 %K 2 SO 4 -35 %MgSO 4 deposit to 100 h resulted in severe corrosion attack. The latter observation is explained by a reaction between K 2 Mg 2 (SO 4 ) 3 and NiAl causing formation of a Mg, Ni and Al containing spinel accompanied by release of the aggressive K 2 SO 4 into the liquid phase.
Offering an independent humidity management method for buildings, desiccant-coated heat exchangers (DCHXs) are deemed a promising approach to improve the overall energy efficiency of air conditioning (AC) systems. State-of-the-art DCHXs, however, are bound with conventional HX topologies either providing limited desiccant-air interfacial areas or introducing excessive pressure drop penalties. In this paper a novel 3D-printed DCHX concept inspired by the bronchi arrangement of a human lung is introduced to address the shortcomings inherent in existing DCHX designs. The proposed lung-inspired DCHX utilizes two intertwined bicontinuous flow networks enabling highly efficient heat and mass transfer characteristics for augmented adsorption and regeneration processes at low pressure drop penalties. While the first network evenly distributes an incoming air stream through the entire volume of the lung-inspired DCHX, the second network volumetrically splits a cooling water stream within and through the first network. Effects of various parameters including air flow rate, outdoor air humidity ratio, and regeneration temperature on dehumidification performance and energy efficiency of the proposed lung-inspired DCHX were investigated. Experimental results indicated the proposed lung-inspired 3D-printed DCHX outperforms existing DCHX systems by demonstrating an excellent balance between a high volumetric adsorption rate and a low pressure drop penalty. The volumetric adsorption rate of the proposed lung-inspired DCHX technology is 54.8 g/m 3 -s, a more than two-fold improvement compared with state-of-the-art DCHX systems. Additionally, the lung-inspired DCHX offers high thermal energy efficiency of 56% at a low regeneration temperature of 40 °C. Therefore, the proposed lung-inspired 3D-printed DCHX offers a new solid-desiccant-based air dehumidification pathway for next-generation high-performance AC systems.
Bipolar Plates (BPP) are important components of proton exchange membrane fuel cell (PEMFC) stacks. In the development of innovative fuel cell designs, it is advantageous to use aluminum for these applications, however, this material lacks the necessary corrosion resistance. Since the performance of PEMFC stacks depends on BPP properties, in particular, corrosion resistance, depositing titanium nitride (TiN) thin films onto aluminum substrates may improve their efficiency and durability. Present work focuses on improving corrosion resistance and hydrophobicity of TiN/Ti by using N graded films deposited onto aluminum substrates (AA-1100) by grid-assisted magnetron sputtering (GAMS). Electrochemical impedance spectroscopy (EIS) with potentiodynamic and potentiostatic polarization are used to investigate the performance of the substrate/film system at room temperature and 70 oC, thus simulating a prototypic PEMFC electrolyte environment. Electrochemical test results showed that graded TiN films improved corrosion resistance when compared with both the homogeneous films and the AA1100 uncoated substrate. Furthermore, contact angle results reveal improved hydrophobicity for both homogeneous and graded TiN coatings when compared with the AA1100 substrate.
To achieve large-scale application of proton exchange membrane electrolyzer cells (PEMECs) for hydrogen production, it is highly desirable to reduce the manufacturing cost while enhancing cell performance. In the PEMPECs, a catalyst-coated membrane (CCM) is the vital component where electrochemical reactions and mass transport mainly occur. The fabrication methods and catalyst layer (CL) structure can significantly affect the cell performance. Herein, for the first time, a comparative study of CCM fabrications with decal transfer and direct spray deposition methods have been conducted by both ex-situ materials characterization and in-situ performance testing in PEMECs. It is found CCMs that are fabricated with a direct spray deposition method display enhanced cell performance compared to CCMs fabricated with a decal transfer method, mainly due to the largely reduced ohmic resistance and improved mass transport. More importantly, cell performance can be greatly enhanced by simply regulating the Nafion ionomer content at the anode CL. The optimal Nafion ionomer content of 10 wt% gives the best cell performance at 80 °C with a low cell voltage of 1.887 V at 2 A cm -2 , outperforming the commercial CCM and most other previous publications. Our study provides a valuable guidance for fabrication and optimization of CCMs with significantly enhanced performance and reduced cost for practical application of the PEMECs.
This work investigates the influence of ballmilling (sometimes also referred to as jar roller milling) time on cathode catalyst layer (CL) inks and electrode properties using formulations and coating methods relevant for industrial manufacturing. Four CL inks with the same composition were milled for 24, 48, 72, or 96 h. Rheological investigation of these inks showed a reduction of elastic moduli and steady-shear viscosity with continuous ink milling, which is correlated to a decrease in particle-particle interactions as well as formation of smaller agglomerates. Optical microscopy (OM) analysis of the fabricated electrodes revealed a trend in surface crack formation; formulations milled for 24 h contained the lowest average surface crack area percentages of 0.370% at heavy-duty loadings of ~0.300 mg Pt cm -2 , compared to 2.418% for the ink milled for 96 h. Further characterization of the CL through transmission electron microscopy (TEM) imaging showed a decrease in the mean agglomerate and pore size with milling time. Furthermore, these smaller electrode features were consistent with reduced fracture resistance and, hence, development of larger stresses during drying. Our results highlight the need to consider ink processing as an important component in defect-free CL manufacturing.
Advanced cladding is critical for fast reactors with the adequate thermal conductivity, mechanical stability and radiation tolerance of the cladding base material, corrosion resistance and high temperature coolant compatibility of the cladding surface, and chemical stability of the cladding inner wall against fuel cladding chemical interaction (FCCI). The preliminary results of recent ion irradiation studies of two diffusion-couple samples of cerium (Ce)/oxide-dispersion strengthened steel (ODS) and Ce/TiN/ODS, irradiated with 80 MeV xenon (Xe) ions to 100 displacements per atom (dpa) at 500°C, are summarized. Significant Ce-Fe interaction occurred in the Ce/ODS sample, and no noticeable Ce-Fe interaction was found in the Ce/TiN/ODS sample. It shows the effectiveness of 1-µm TiN diffusion barrier coated by the pulsed laser deposition on suppressing Ce-Fe interaction, a major contributor to FCCI in cladding. Here, density function theory (DFT) calculations of the impurity diffusivities of Ce and Fe within the Ti sublattice of TiN were performed to assist a mechanistic understanding of the experimental results.
Since 2011, the U.S. Department of Energy has launched new research and development (R&D) programs for developing new accident tolerant fuels (ATFs). These new fuel concepts are expected to bring several advancements in terms of plant safety. However, development, licensing, as well as deployment of ATF require a substantial investment among fuel vendors, operating utilities, and regulatory authorities. For ATF to be economically feasible, credited safety benefits may be necessary to provide an economic incentive for transition of nuclear power plants from Zr/UO2-based fuel technologies to ATFs. As a result, it is essential to evaluate the economic viability of ATF by conducting a comprehensive safety benefits study informed by R&D and demonstration studies. In the present work, based on the best estimate plus uncertainty methodology, sensitivity analysis and uncertainty quantification for key safety quantities under LB-LOCA are performed for the Peach Bottom boiling water reactor (BWR) with GE14 nuclear fuel design adopting the ATF concepts. A coupled TRACE-DAKOTA analysis framework is adopted to perform the uncertainty quantification. Based on the computational results and obtained statistics, the coping time increase, fuel performance improvement as well as the most dominating phenomena during the accident for Cr-coated cladding are investigated in detail. Overall, the results obtained are useful for subsequent plant PRA study and support a move to more modernized performance-based regulatory requirements to realize plant economic benefits.
Anaerobic fungi (Neocallimastigomycetes) found in the guts of herbivores are biomass deconstruction specialists with a remarkable ability to extract sugars from recalcitrant plant material. Anaerobic fungi, as well as many species of anaerobic bacteria, deploy multi-enzyme complexes called cellulosomes, which modularly tether together hydrolytic enzymes, to accelerate biomass hydrolysis. While the majority of genomically encoded cellulosomal genes in Neocallimastigomycetes are biomass degrading enzymes, the second largest family of cellulosomal genes encode spore coat CotH domains, whose contribution to fungal cellulosome and/or cellular function is unknown. Structural bioinformatics of CotH proteins from the anaerobic fungus Piromyces finnis shows anaerobic fungal CotH domains conserve key ATP and Mg 2+ binding motifs from bacterial Bacillus CotH proteins known to act as protein kinases. Experimental characterization further demonstrates ATP hydrolysis activity in the presence and absence of substrate from two cellulosomal P. finnis CotH proteins when recombinantly produced in E. coli. These results present foundational evidence for CotH activity in anaerobic fungi and provide a path towards elucidating the functional contribution of this protein family to fungal cellulosome assembly and activity.
Thermal insulation materials are crucial to improve the energy performance of buildings and industrial applications. We report an approach to create hermetically vacuum-sealed silica-based hollow microspheres that can lower the thermal conductivity of closed-cell insulation materials. The wall structure of these hollow microspheres includes a reticulated network of pores or channels that extend through the thickness of the wall. When a thin layer of glass material is applied to the wall exterior, followed by a vacuum-assisted thermal treatment process, the coated microsphere surfaces display a highly dense conformal coverage and near-complete elimination of surface porosity. The sealing efficiency of these microspheres is verified by trapping argon within their cavities as well as through evacuating their hollow cores. Notably, incorporating the evacuated microspheres into a polymer matrix resulted in ~27% enhancement in its thermal insulation performance and no notable loss of performance was observed following three months of exposure to ambient conditions. Thus, we believe that the present study offers a commercially viable strategy that opens the door to applications of such inorganic hollow particles in areas ranging from vacuum-based thermal insulation systems to catalysis, separation technologies, and medical fields.
Silicon (Si) is a promising anode material for high-energy-density lithium-ion batteries (LIBs), but its short calendar life and poor cycling performance prevent its large-scale adoption. Introducing magnesium (Mg) salt into the electrolyte has been recently shown to form a ternary Li–Mg–Si Zintl phase upon lithiation of Si and improve the cycling performance. However, the ternary Zintl phase formation mechanism and its impact on the solid electrolyte interphase (SEI) are not yet well understood. In this work, we demonstrate the formation of a ternary Li–Mg–Si Zintl phase by Mg coating of the Si anode, where Mg diffuses into the Si film upon deposition and intermixes further during the lithiation process. The presence of the Zintl phase improves the interface stability, alters the nature of the SEI, and enhances the cycling performance of the Si anode. This study provides insights into the formation mechanism of the ternary Zintl phase and guidelines for the future design of Si anodes.
Recently, γ-LiAlO 2 has attracted considerable attention as a coating in Li-ion battery electrodes. However, its potential as a Li + ceramic electrolyte is limited due to its poor ionic conductivity (<10 –10 S cm –1 ). Here, we demonstrate an effective method of processing LiAlO 2 membranes (<50 μm) using nanopowders (NPs) produced via liquid-feed flame spray pyrolysis (LF-FSP). Here, membranes consisting of selected mixtures of lithium aluminate polymorphs and Li contents were processed by conventional tape casting of NPs followed by thermocompression of the green films (100 °C/10 kpsi/10 min). The sintered green films (1100 °C/2 h/air) present a mixture of LiAlO 2 (~72 wt %) and LiAl 5 O 8 (~27 wt %) phases, offering ionic conductivities (>10 –6 S cm –1 ) at ambient with an activation energy of 0.5 eV. This greatly increases their potential utility as ceramic electrolytes for all-solid-state batteries, which could simplify battery designs, significantly reduce costs, and increase their safety. Furthermore, a solid-state Li/Li 3.1 AlO 2 /Li symmetric cell was assembled and galvanostatically cycled at 0.375 mA cm –2 current density, exhibiting a transference number ≈ 1.