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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 1,801 records · Page 100
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Selective catalytic reduction of NOx with NH3 over a Cu-SSZ-13 catalyst prepared by a solid state ion exchange method

A novel solid state method was developed to synthesize Cu-SSZ-13 catalysts with excellent NH3-SCR performance and durable hydrothermal stability. After the solid state ion exchange (SSIE) process, the SSZ framework structure and surface area was maintained. In-situ DRIFTS and NH3-TPD experiments provide evidence that isolated Cu ions were successfully exchanged into the pores, which are the active centers for the NH3-SCR reaction.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2019

Machine Learning for Computational Heterogeneous Catalysis

Abstract Big data and artificial intelligence has revolutionized science in almost every field – from economics to physics. In the area of materials science and computational heterogeneous catalysis, this revolution has led to the development of scientific data repositories, as well as data mining and machine learning tools to investigate the vast materials space. The goal of using these tools is to establish a deeper understanding of the relations between materials properties and activity, selectivity and stability – the important figures of merit in catalysis. Based on these insights, catalyst design principles can be established, which hopefully lead us to discover highly efficient catalysts to solve pressing issues for a sustainable future and the synthesis of highly functional materials, chemicals and pharmaceuticals. The inherent complexity of catalytic reactions quests for machine learning methods to efficiently navigate through the high‐dimensional hyper‐surfaces in structure optimization problems to determine relevant chemical structures and transition states. In this review, we show how cutting edge data infrastructures and machine learning methods are being used to address problems in computational heterogeneous catalysis.

Schlexer Lamoureux, Philomena↗
DOE OSTI2016

Altered Anterior-Posterior Connectivity Through the Arcuate Fasciculus in Temporal Lobe Epilepsy

How the interactions between cortices through a specific white matter pathway change during cognitive processing in patients with epilepsy remains unclear. Here, we used surface-based structural connectivity analysis to examine the change in structural connectivity with Broca’s area/the right Broca’s homologue in the lateral temporal and inferior parietal cortices through the arcuate fasciculus (AF) in 17 patients with left temporal lobe epilepsy (TLE) compared with 17 healthy controls. Then, we investigated its functional relevance to the changes in task-related responses and task-modulated functional connectivity with Broca’s area/the right Broca’s homologue during a semantic classification task of a single word. The structural connectivity through the AF pathway and task-modulated functional connectivity with Broca’s area decreased in the left midtemporal cortex. Furthermore, task-related response decreased in the left mid temporal cortex that overlapped with the region showing a decrease in the structural connectivity. In contrast, the region showing an increase in the structural connectivity through the AF overlapped with the regions showing an increase in task-modulated functional connectivity in the left inferior parietal cortex. These structural and functional changes in the overlapping regions were correlated. The results suggest that the change in the structural connectivity through the left frontal–temporal AF pathway underlies the altered functional networks between the frontal and temporal cortices during the language-related processing in patients with left TLE. The left frontal–parietal AF pathway might be employed to connect anterior and posterior brain regions during language processing and compensate for the compromised left frontal–temporal AF pathway.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

Preparation of porous Si and TiO 2 nanofibres using a sulphur-templating method for lithium storage

We prepared highly porous Si/TiO 2 composite nanofibres using a unique sulphur-templating method combined with electrospinning. The structure, morphology, surface area, phase and composition of these nanofibres were characterized using Raman spectroscopy, scanning electron microscopy, powder X-ray diffraction, surface area analyser and thermogravimetric analyser. The specific surface area of Si/TiO 2 porous NFs is as large as 387m 2 g -1 , whose silicon capacity can be maintained above 1580mAhg -1 in 180 cycles.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Core–Multishell-Structured Digital-Gradient Cathode Materials with Enhanced Mechanical and Electrochemical Durability

Ni-rich cathode materials provide high energy density, but their structural and surface instability limits their cyclability and thermal stability. As one of the approaches to mitigate this problem, cathode materials comprising Ni-rich high-capacity core wrapped in Mn-rich multiple shells are produced successfully. In contrast to the conventional batch-type process for concentration-gradient materials, a digital-gradient cascade coprecipitation process described here achieves the improvements in productivity and quality consistency needed to move toward large-scale manufacturing. The core-multishell cathode materials produced in this manner not only have longer cycle life and improved rate performance compared to homogeneous Ni-rich cathode materials having the same overall composition, but also show remarkably enhanced thermal stability and low impedance growth characteristics. In a novel attempt to determine the correlation between the mechanical properties of the core-multishell cathode particles and their electrochemical cyclabilities, their breaking force and elasticity were successfully measured using a statistical approach, which indicates that a cathode particle with stable surface composition as well as high breaking force has improved capacity retention and durability. These results guide the realization of long life and high thermal stability in Ni-rich cathode materials through heterogeneous particle engineering.

25 ENERGY STORAGE↗
DOE OSTI2020

Multilayered microstructures with shape memory effects for vertical deployment

This paper presents a fabrication and characterization of multilayered microstructures with shape memory effects enabling large vertical deployment under electro-thermal actuation. Our previous research demonstrated vertical deployment of such microstructures by the effect of thermal mismatch. Development of equiatomic NiTi layers in the multilayered microstructure is investigated further for shape memory effects. Multilayered microstructures are built by sputtered NiTi layers and a lift-off process. Negative photoresist ma-N1420 enables clean lift-off of 500 nm thick NiTi layers by forming a significant undercut profile after development. The parametric study on co-sputter powers for Ti and Ni 50 Ti 50 targets suggests that 100 W RF on Ti target and 200 W DC on Ni 50 Ti 50 target can deposit Ni 49.62 Ti 50.38 layers. X-Ray Diffraction (XRD) and Atomic Force Microscopy (AFM) were used to study the crystal structures and surface topography of NiTi layers. XRD results of post-annealed Ni 49.62 Ti 50.38 layers show coexistence of austenite and martensitic phases at room temperature, suggesting that the transformation temperature of such NiTi layers should be approximate 20 °C. The surface topography of Ni 49.62 Ti 50.38 layers reveals substantial increase of surface roughness at ambient conditions after the annealing. Experimental verification of the multilayered microstructure for vertical deployment was carried out by Signatone Probe Station and Dual Scanning Electron Microscope/Focused Ion Beam (SEM/FIB) system. Finally, a vertical deployment of the two-dimensional (2D) multilayered microstructures for three-dimensional (3D) can be detected by applying a constant voltage of 0.04 V, and the expected 3D deployment displacement is enlarged from 2 μm to 10 μm by introducing the shape memory effect.

42 ENGINEERING↗
DOE OSTI2023

Microwave resonance enhanced CO 2 reduction using biochar

The conventional process for CO 2 conversion requires high energy and expensive catalysts, and shows poor product selectivity. Here, in this study, we address these challenges by investigating an environmentally friendly method for CO production through the variable frequency microwave-driven CO 2 Boudouard reaction over biochar. We hypothesized that tuning the microwave frequency to align with the dielectric properties of biochar, and thereby induce a resonance effect, could significantly enhance reaction efficiency. Experiments were conducted to explore the effect of microwave frequency on CO 2 conversion efficiency in the variable frequency microwave reactor operating within a frequency range of 2430–6000 MHz. Results reveal a significant resonance effect at 4225 MHz resulting in an outstanding CO 2 conversion of 96.3%, in sharp contrast to the complete absence of conversion observed at the conventional 2450 MHz. The resonance frequency not only facilitated exceptional conversion but also remarkably improved energy efficiency, yielding a productivity of 1427.5 µmol/kJ of CO. This represents a remarkable 474-fold increase compared to electrical heating. Furthermore, continuous microwave irradiation at this optimized frequency demonstrated remarkable stability and induced substantial enhancements in the pore structure and surface area of biochar. This innovative approach provides promising insights into sustainable and efficient CO production processes.

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

Biosynthesis, Microstructural Characterisations and Investigation of In-Vitro Mutagenic and Eco-Toxicological Response of a Novel Microbial Exopolysaccharide Based Biopolymer

A modified microbial polysaccharide based biopolymer has been investigated as a potential candidate towards development of sustainable biomaterials and bioplastics. An in-depth study was carried out to biosynthesize, characterize and assess any possible mutagenic potential and ecotoxicity of the microbial polysaccharide biopolymer. Microstructural investigations using confocal microscopy, Fourier transform (FT)-Raman depth profile mapping and scanning electron microscopy (SEM) of the biosynthetically modified polysaccharide revealed internal structural perturbations, as well as occlusion of granular pores by extraneous materials. The Raman 3D mapping depth profile along with time-of-flight (MALDI-TOF) mass spectrometry also indicated important structural and surface modifications, which could be correlated to the production of microbial exopolysaccharides and secondary metabolites. The study then looked into any possible genetic mutation and ecological risks associated with the biosynthetically modified polysaccharide through the investigation of genotoxicity and ecotoxicity. The genotoxicity study was carried out through bacterial reverse gene mutation (Ames) test by using two different strains (TA98 and TA100) of bacteria. The results did not indicate any mutagenic effect against either of the strains used for the biopolymer samples and was found to be genotoxically safe. Ecotoxicity tests, carried out using bioluminescent bacteria Vibrio fisheri further indicated no ecotoxicity within the given experimental conditions. The study measured the half maximal effective concentration (EC50) to cause a 50% decrease in the light output of the bacteria, a measure of ecotoxicological response of the biopolymer. Overall, results from this study indicated that the novel biopolymer was genotoxically and ecotoxically safe, which offers immense potential for future use of this biopolymer.

36 MATERIALS SCIENCE↗
DOE OSTI2019

High Removal Capacity of Arsenic from Drinking Water Using Modified Magnetic Polyurethane Foam Nanocomposites

In this study, a novel polyurethane foam (PU) nanocomposite adsorbent based on silane-modified magnetic iron-oxide nanoparticles (Fe{sub 3}O{sub 4}@APTES) is synthesized via a low cost and simple in situ polymerization method for the removal of arsenic ions from aqueous solutions. The chemical structure and surface morphology of the prepared nanoparticles and adsorbent were characterized using Fourier transform infrared spectroscopy, attenuated total reflection, scanning electron microscopy, transmission electron microscopy, and energy-dispersive X-ray spectroscopy. Inductively coupled plasma mass spectrometry was used to measure the arsenic concentration of the treated solutions. Sorption isotherms models were applied to determine the adsorption mechanism and modeling parameters. The removal capacity of the modified PU foam was at its highest during a contact time of four hours which resulted in a removal capacity of 95%. Kinetic studies were conducted to determine the adsorption capacity and the uptake rate of arsenic. A Pseudo-order model was found to be the best fit model for adsorption. The prepared adsorbent can be separated from the solution by using an external magnet field.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Monofilamentary In Situ Fe/MgB{sub 2} Superconducting Wires Fabricated by Pellet-in-Tube Method

Thin monofilamentary Fe/MgB{sub 2} superconducting wires without barriers are investigated by means of electrical transport measurements and surface and structural analysis methods. Small diameter wires are fabricated by pellet-in-tube method (PeIT) to obtain a high uniform initial filling density and heat treated as a function of various sintering temperatures and times. The results are discussed in terms of the grain connectivity, Fe{sub 2}B phase formation, and the relation between wire diameter and sintering conditions. We suggest that PeIT has a crucial importance to achieve homogeneous initial filling density, which leads to the fabrication of uniform long-length MgB{sub 2} wires.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Modified Magnetic and Electrical Properties of Perovskite-Spinel Multiferroic Composites

Multiferroic composite samples (1 − x) Bi{sub 0.9}Pr{sub 0.1}FeO{sub 3}–xNi{sub 0.5}Co{sub 0.5}Fe{sub 2}O{sub 4} for x = 0, 0.1, 0.2, 0.3, and 1.0 were synthesized by sol-gel auto-combustion method. Detailed investigations were made on the structural, magnetic, and electrical properties of these composites. The X-ray diffraction (XRD) patterns confirm the co-existence of perovskite BPFO and spinel ferrite NCFO without any impurity phase. The average particle size of BPFO and NCFO nanoparticles is nearly equal to 110 nm and 35 nm respectively which are confirmed by XRD and transmission electron microscopy (TEM) analysis. Structural and surface morphology are studied by scanning electron microscopy (SEM). The dielectric properties of the composites are also studied at room temperature. The saturation and remnant magnetization are found to increase with increase in NCFO weight percentage in the composites. The saturation magnetization (Ms) values are 3.38 emu/g, 8.65 emu/g, and 13.87 emu/g and coercivity (Hc) values are 936.52 Oe, 1058.12 Oe, and 1046.77 Oe for BPFO-NCFO 1, 2, and 3 composite samples respectively. The incorporation of BPFO and NCFO enhances the multiferroic properties in the present composite materials which are quite promising for applications point of view.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Graphene reinforced UHMWPE fibers

Thermoplastic polymers are increasingly used in electric vehicles, hydrogen fuel cell vehicles, and other decarbonization applications due to their lightweight and formability. Higher-strength polymers are needed to supplant metals in the vehicle structure, thereby reducing mass and improving efficiency. Ultra-high molecular weight polyethylene (UHMWPE) fibers possess one of the highest strength-to-weight ratios of technical polymers, and further improvement via reinforcement by nanofillers, such as graphene, will expand their performance envelope. Here, in this work, UHMWPE/graphene nanocomposite fibers were gel spun and characterized for their morphological, microstructural, thermal, and mechanical properties. The addition of a low fraction of graphene improved the tensile strength of the fibers by 25% and tensile modulus by 32%. Differential scanning calorimetry showed an increase in melting temperature and degree of crystallinity, which indicates improved coordination of the molecular chains induced by the addition of graphene. The reinforcement also affected the cross-sectional shape of the fibers; the aspect ratio of the fibers’ elliptical shape declined with increasing graphene content showing the skeletal effect of the graphene nanofillers in the polymer matrix. The reinforcing effect of graphene declined above a threshold concentration, and theoretical modeling was applied to demonstrate that increased agglomerates led to reduced properties. This work demonstrates a simple, effective method to produce graphene-reinforced UHMWPE fibers and lays a foundation for understanding the potential for leveraging graphene to form ultra-high-performance nanocomposite fibers for myriad engineering applications.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Thermal Annealing Effect on Structure and Properties of Tungsten Surface Irradiated with High Fluence and Low Energy Alpha-Particles

The paper presents research into the surface morphology, helium cluster formation and mechanical properties of high-purity tungsten after the high fluence and low-energy helium ion implantation and subsequent annealing. Investigations are based on scanning electron and atomic force microscopy observations and thermal desorption measurements. Because of the local stresses appearing within the energy loss straggling of helium ions, atoms migrate at distances significantly increasing the ion projective range, and create mobile coalescence of helium atoms and immobile helium-vacancy clusters. The latter form helium bubbles in the energy loss straggling which cause the surface blistering. Local stresses induced by helium coalescence and helium-vacancy clusters beyond the energy loss straggling result in the material strengthening or hardness increase. Subsequent 600°С annealing provides the size growth of blisters on the metal surface irradiated with helium ions and high helium desorption due to the migration of mobile coalescence of helium atoms. With the increasing annealing temperature from 600 to 1000°С, the layer corresponding to the projective range of helium ions fully fractures due to the interstitial helium atoms releasing from immobile helium-vacancy clusters. After 1000°С annealing, the tungsten hardness returns to its initial value.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Improvement of Al/Steel Tungsten Inert Gas Welding–Brazing Joint by High-Energy Shot Peening

High-energy shot peening treatment was applied to improve the Al/steel tungsten inert gas welding–brazing lap joint. The mechanical properties and microstructure evolution of the joint were investigated. Results showed that the mechanical properties of weld were evidently reinforced due to microstructure transformation of joint surface layer. The grain structure in the joint surface layer was distorted and refined. Large compressive residual stress was introduced into the joint surface, and its hardness obviously increased due to strain hardening. When the peening pressure was 0.15 MPa, the tensile shear strength of the joint reached the maximum value (199.6 MPa), which was 16.5% higher than that of the as-welded joint.

36 MATERIALS SCIENCE↗
DOE OSTI2025

CO2-Utilization Facilitated by Solid Reaction Mediums—A Review

Abstract This short review examines solid reaction mediums—specifically oxygen, CO 2 , and carbon carriers—within the framework of Chemical Looping (CL) to illuminate various CO 2 utilization pathways. The thermodynamic consideration for carrier selection is first discussed. This is followed by a summary of the key carrier types investigated to date, with an emphasis on elucidating the roles of compositional, structural, and surface properties of the various carriers toward their reactive performances. Besides assessing the performances of various oxygen carriers, their long-term performance, potential deactivation mechanism in the presence of CO 2, and strategies for their reactivation are also discussed in the context of chemical looping dry reforming of methane (CLDRM). While relatively underexplored, the current status of development, advantages, and potential limitations of CO 2 carriers in sorbent looping dry reforming of methane (SLDRM) and carbon carriers in chemical looping methane cracking (CLMC) are also reviewed and discussed. Emerging topics such as combined carriers are also covered along with a perspective for future research directions. Overall, this review aims to offer insights into the sustainable use of CO 2 through chemical looping, emphasizing the potential of solid reaction mediums across different carriers and the challenges associated with these solid reaction mediums.

Iftikhar, Sherafghan↗
DOE OSTI2023

The Linkage Between Electro-Chemical Mechanical Instabilities in Battery Materials

Battery chemistry must be diversified to achieve a sustainable energy landscape by effectively utilizing renewable energy sources. Alkali metal-ion, all-solid-state, metal–air batteries, and multivalent batteries offer unique cost, safety, raw material abundance, energy, and power density solutions. However, realizing these “beyond Li-ion batteries” must uncover their working principles and performance & property relationships. In this aspect, mitigating chemo-mechanical instabilities in the structure and surface of the electrodes plays a crucial role in their performance. Unfortunately, the coupling between electrochemical and mechanical interactions is often poorly understood due to a lack of operando characterization. Here, this review article explains the working principles of curvature measurement and digital image correlation for measuring stress and strain generations in battery materials. We provided specific examples of how these operando mechanical measurements shed light on instabilities in alkali metal ion electrodes, solid electrolytes, Li-O 2 batteries, and aqueous Zn-ion batteries. Operando mechanical measurements offer an effective way to map changes in the physical fingerprint of the battery materials, therefore providing crucial information to elucidate instabilities in battery materials.

25 ENERGY STORAGE↗

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