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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Fast charging of Li-ion cells: Effect of separator membranes and mapping of “safe lines” to avoid Li plating

An experimental method is introduced that uses microprobe Li/Cu reference electrodes to map "safe" charging regimes to avoid Li metal plating on graphite anodes at rates to 8C. With this method, a Li-ion cell closely approaches the Li plating condition but avoids descending into this regime. This "safe" approach is used to demonstrate effects of the microporous separator on Li plating in cells consisting of a layered nickel-manganese -cobalt oxide cathode and graphite anode. We argue that most of the difference in behaviors for different separators arises from time delayed Li + ion percolation through the membrane. In conclusion, our study suggests that explicitly treating kinetics of phase transitions in the lithiated graphite anode is essential for electrochemical models predicting "safe" lines for fast charging cells.

25 ENERGY STORAGE↗
DOE OSTI2016

Structural and magnetotransport properties of the Y doped A-site deficient double layered manganites La{sub 1.2−x}□{sub 0.2}Y{sub x}Ca{sub 1.6}Mn{sub 2}O{sub 7}

We present structural, magnetic and electrical properties of the polycrystalline A-site-deficient yttrium doped double layered manganites La{sub 1.2−x}□{sub 0.2}Y{sub x}Ca{sub 1.6}Mn{sub 2}O{sub 7} (x=0.2, 0.3 and 0.4) prepared by a solid state reaction method. The samples crystallize in the tetragonal structure with the space group I4/mmm. Doping with Y decreases the cell parameters and causes a decrease of the metal-insulator transition temperature. The same evolution with doping is also seen for the deduced Curie temperature from susceptibility curves which present a clear paramagnetic-ferromagnetic transition. The significant positive intrinsic magnetoresistance, shown in all samples, reaches 85% at 122 K under 7 T for 0.3 doped sample and can be attributed to the suppression of spin fluctuations via aligning the spins under external magnetic field, while the extrinsic one is attributed to the inter-grain spin-polarized tunneling across the grain boundaries. The simulation of the resistivity curves in the entire temperature range show that the percolation model is suitable to fit our results. The applied magnetic field increases the density of states near the Fermi level, which is in accordance with the observed decrease of resistivity. - Graphical abstract: Resistivity and magnetoresistance of La{sub 1.2−x}□{sub 0.2}Y{sub x}Ca{sub 1.6}Mn{sub 2}O{sub 7} (x=0.2, 0.3, 0.4). Solid lines correspond to the fitting results. Display Omitted.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Nanoscale interlayer defects in iron arsenides

Using a local real-space microscopy probe, we investigate evidence of nanoscale interlayer defects along the c-crystallographic direction in BaFe 2 As 2 (‘122’) based iron-arsenide superconductors. We find ordered 122 atomic arrangements within the ab -plane, and within regions of ~10 to 20 nm size perpendicular to this plane. While the FeAs substructure is very rigid, Ba ions are relatively weakly bound and can be displaced from the 122, forming stacking faults resulting in the physical separation of the 122 between adjacent ordered domains. The evidence for interlayer defects between the FeAs superconducting planes gives perspective on the minimal connection between interlayer chemical disorder and high-temperature superconductivity. Specifically, the Cooper pairs may be finding a way around such localized interlayer defects through a percolative path of the ordered layered 122 lattice that may not affect T c .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Digital image analysis to quantify carbide networks in ultrahigh carbon steels

A method has been developed and demonstrated to quantify the degree of carbide network connectivity in ultrahigh carbon steels through digital image processing and analysis of experimental micrographs. It was shown that the network connectivity and carbon content can be correlated to toughness for various ultrahigh carbon steel specimens. The image analysis approach first involved segmenting the carbide network and pearlite matrix into binary contrast representations via a grayscale intensity thresholding operation. Next, the carbide network pixels were skeletonized and parceled into braches and nodes, allowing the determination of a connectivity index for the carbide network. Intermediate image processing steps to remove noise and fill voids in the network are also detailed. The connectivity indexes of scanning electron micrographs were consistent in both secondary and backscattered electron imaging modes, as well as across two different (50 × and 100 ×) magnifications. Results from ultrahigh carbon steels reported here along with other results from the literature generally showed lower connectivity indexes correlated with higher Charpy impact energy (toughness). A deviation from this trend was observed at higher connectivity indexes, consistent with a percolation threshold for crack propagation across the carbide network. - Highlights: • A method for carbide network analysis in steels is proposed and demonstrated. • ImageJ method extracts a network connectivity index from micrographs. • Connectivity index consistent in different imaging conditions and magnifications. • Impact energy may plateau when a critical network connectivity is exceeded.

36 MATERIALS SCIENCE↗
DOE OSTI2018

A comparison of Ti-6Al-4V in-situ alloying in Selective Laser Melting using simply-mixed and satellited powder blend feedstocks

Highlights: • Satelliting mixing is proposed for preparing powder feedstocks for AM. • Satelliting allows the creation of blended feedstocks of improved homogeneity. • Sample homogeneity is affected by particle size distribution and powder mixing technique. - Abstract: In-situ alloying within laser powder-bed fusion, specifically Selective Laser Melting (SLM), has been investigated for the formulation of novel alloys from elemental powders to extend the benefits offered by these technologies. Inadequate preparation of the powder feedstock prior to in-situ alloying can yield inhomogeneous microstructures, often deteriorating the mechanical performance of the deposited parts. The present work was designed to assess the use of the ‘satelliting’ method to create powder feedstocks for in-situ laser powder-bed fusion. The research was carried out on Ti-6Al-4V. Ti-6Al-4V feedstocks obtained by mixing or satelliting elemental powders were investigated and compared to a reference pre-alloyed material. The processability of the different feedstocks was assessed by comparing the microstructure of the deposits originating from the different powder blends. Results show that the powder percolation and particle size distribution of the feedstocks translate in deposited microstructures exhibiting different porosity, elemental segregation, and average grain size, revealing the impact of the powder blend characteristics on the laser energy absorbance and solidification of the alloy. This study provides fundamental insights of how to formulate powder feedstock and aims to support future research activities on the design and development of new alloys for use in powder-based additive manufacturing.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Tracking nickel oxide reduction in solid oxide cells via ex-situ ptychographic nano-tomography

In solid oxide cell (SOC) electrodes, nickel oxide reduction is a fundamental step occurring during the initial stages of cell operation. The reduction procedure is considered to be crucial in producing the final fuel electrode microstructure. This work studies the reduction reaction occurring in a SOC fuel electrode by means of X-ray ptychographic nanotomography. The same microstructure is analyzed in its pristine state and after 1 h of reduction at 850 °C, in dry hydrogen. The microstructure evolution is discussed in terms of changes in volume fractions, surface areas, and connectivity of the different constituent materials. The pore network in the unreduced cermet is revealed to be fully isolated, implying that reduction proceeds inwards from the edges of the sample towards the center. For the given experimental conditions we report that reduction is complete after 1 h of treatment but the resulting nickel network is not yet percolated and detached from the yttria-stabilized zirconia.

25 ENERGY STORAGE↗
DOE OSTI2023

Two-dimensional patterning of mesoscale fibers using acoustophoresis

The performance of functional composites can rely critically on the arrangement of secondary phases; for example, patterned networks of conductive particles can impart anisotropic thermal, electric or ionic conductivity while preserving flexibility in the matrix. We demonstrate the use of standing acoustic waves to generate periodic patterns of short fibers. We extend the range of possible patterns with the first demonstration of both rectangular grids and arrays of octagons interspersed with rectangles. These newly demonstrated patterns are rationalized using theoretical models of acoustic forces and torques on fibers that account for two-dimensional spatial variations arising from applied acoustic fields. The models enable simulations of fiber motion, which are used to (i) map out final fiber positions as a function of initial position and orientation, and (ii) corroborate experiments visualizing fiber motion and final patterns. This approach provides a fast and accurate way to predict emergent fiber patterns as a function of excitation modality and fiber length. The theory and experiments clearly indicate strong coupling between the length of the fibers and the spacing of the acoustic nodes. Furthermore, this coupling is used to estimate reductions in percolation thresholds associated with the ratio of fiber length and acoustic wavelength.

25 ENERGY STORAGE↗
DOE OSTI2013

Silver nanowire based flexible electrodes with improved properties: High conductivity, transparency, adhesion and low haze

Graphical abstract: This graphical abstract illustrates the schematic representation of the main drawbacks and rectifications for AgNWs based transparent electrodes. - Highlights: • Films exhibited low sheet resistance and optical properties with R{sub s} ≤ 30 Ω/□ and T ≥ 90%. • We decreased haze to 2% by controlling AgNWs length, diameter, and concentration. • We achieved good adhesion for AgNWs on PET film. • There is no significant change in resistance in the bending angle from 0° to 180°, and on twisting. - Abstract: Recent work has been focusing on solution processable transparent electrodes for various applications including solar cells and displays. As well as, the research aims majorly at silver nanowires (AgNWs) to replace ITO. We enhance the transparent electrode performance as a function of optical and mechanical properties with low sheet resistance, by controlling the AgNWs accept ratios, ink composition, and processing conditions. The nanowire network of transparent films agrees with the 2D percolation law. The film transmittance values at 550 nm are coping with a reference ITO film. Sheet resistance and haze values are suitable for flexible electronic applications. We fabricate transparent flexible film using a low-cost processing technique.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Enhanced performance of P3HT/(PCBM:ZnO:TiO{sub 2}) blend based hybrid organic solar cells

Highlights: • We fabricated hybrid bulk heterojunction organic solar cells. • TiO{sub 2} and ZnO nanoparticles replace PCBM with fixed amount of P3HT in active layer • PCE was significantly improved by the introduction of TiO{sub 2} and ZnO. • A possible route toward low-cost OPV. • To the best of my knowledge, this work is the first time going to report. - Abstract: Quaternary blend hybrid organic solar cells enjoy both an increased light absorption range and an easy method to fabricate because of the simple structure. In this study effects of mixing inorganic metal oxides (ZnO and TiO{sub 2}) nanoparticles to the active layer of organic photovoltaics devices were investigated. The active layer primarily consists of various ratios of electron donor poly (3-hexylthiophene) (P3HT) and an electron acceptor [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) together with nanostructured ZnO and TiO{sub 2} dispersed in chlorobenzene (CB) and 1,2-dichlorobenzene (DCB). The ratio of PCBM to nanoparticles was varied keeping the ratio of P3HT to acceptor material constant. Mixing of nanoparticle plays a significant role in the resulting power conversion efficiency (PCE) of the devices. An increased PCE for ZnO/TiO{sub 2} doped devices can be attributed to increased absorption in the visible region and enhanced charge collection due to the percolation networks formed by metal oxides nanoparticles.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Gamma ray irradiation-induced variations in structure and optical properties of cerium/titanium-doped oxyfluoride transparent glass-ceramics

Highlights: • CeO{sub 2} favors CaF{sub 2} crystallization while TiO{sub 2} suppresses CaF{sub 2} crystallization. • Doping TiO{sub 2} helps reduce intrinsic coloring caused by CeO{sub 2}. • Doping CeO{sub 2} and/or TiO{sub 2} improves defects saturation over irradiation does. • Doping CeO{sub 2} allows lower radiation induced absorption coefficient than co-doping CeO{sub 2}/TiO{sub 2}. - Abstract: CeO{sub 2}/TiO{sub 2}-doped oxyfluoride transparent glass ceramics with a composition of 45SiO{sub 2}–20Al{sub 2}O{sub 3}–10CaO–25CaF{sub 2} were synthesized and irradiated by gamma ray. The effects of CeO{sub 2}/TiO{sub 2} on the structure and optical properties of the samples before and after irradiation were investigated. Doping with CeO{sub 2} causes network depolymerization and conversion of [AlO{sub 6}] to [AlO{sub 4}], enlarging the percolation region and promoting CaF{sub 2} crystallization. Co-doping with CeO{sub 2}/TiO{sub 2} helps reduce the intrinsic coloring of transparent glass ceramics containing only CeO{sub 2}, and the addition of TiO{sub 2} enhances network interconnectivity, suppressing CaF{sub 2} crystallization. Doping with CeO{sub 2} and/or TiO{sub 2} improves the structural stability of transparent glass ceramics upon irradiation and maintains the optical band gap and Urbach energy constant due to the defect saturation over the irradiation dose. Doping solely with CeO{sub 2} allows for a lower radiation-induced absorption coefficient than co-doping CeO{sub 2}/TiO{sub 2} because of the enhanced crystallization induced by CeO{sub 2} and balanceable light absorption of polyvalent cerium ions.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Effect of stoichiometry and hydration level on water domain size and transport in poly(aryl piperidinium) alkaline anion-exchange membranes

Alkaline water electrolysis holds promise in decarbonizing the global economy by enabling renewable hydrogen production with non-precious group metal catalysts. Anion exchange membranes are an important component of alkaline water electrolyzers and would ideally be durable while allowing for high hydroxide conductivity. The poly(aryl piperidinium) (PAP) class of polymers has attracted recent interest due to their good mechanical robustness and high ionic conductivity. Here, in this work, we perform atomistic molecular dynamics (MD) simulations of several PAP polymers at experimentally relevant hydration levels and polymer ion exchange capacities (IECs) to gain nanoscale insight into their properties and to help elucidate the trade-offs that result from tuning the IECs through the polymer stoichiometry. Our MD-predicted macroscopic polymer properties were found to be in good agreement with experimentally available polymer swelling ratios, water-occupied volumes, X-ray scattering, and ionic conductivities. The models show that for hydration levels greater than 8H 2 O per cation a single water cluster will form that percolates through the system. The growth in water cluster size results in large polymer swelling, the creation of larger channels with widths of 7 Å or larger, and nanophase separation between the hydrophilic domains and the polymer with characteristic length scales of approximately 20–30 Å. The experimentally observed lack of a strong X-ray scattering peak at low wavevectors can be explained by a cancellation between the polymer-polymer/water-water and polymer-water correlations and not a loss in nanophase separation. The overlap in coordination environments of the hydroxide oxygen and polymer nitrogen atoms implies that vehicular diffusion between cationic groups could play a role in hydroxide transport. The polymers' hydroxide and water diffusion constants increase by approximately an order of magnitude between hydration levels of 8 and 20H 2 O per cation. However, there are diminishing returns in hydroxide diffusion constant once the IEC exceeds 2.4 meq/g.

08 HYDROGEN↗
DOE OSTI2022

Reviving the rock-salt phases in Ni-rich layered cathodes by mechano-electrochemistry in all-solid-state batteries

The rock-salt phase (RSP) formed on the surface of Ni-rich layered cathodes in liquid-electrolyte lithium-ion batteries is conceived to be electrochemically "dead". Here we show massive RSP forms in the interior of LiNi x Mn y Co (1–x-y) O 2 (NMC) crystals in sulfide based all solid state batteries (ASSBs), but the RSP remains electrochemically active even after long cycles. The RSP and the layered structure constitute a two-phase mixture, a material architecture that is distinctly different from the RSP in liquid electrolytes. The tensioned layered phase affords an effective percolation channel into which lithium is squeezed out of the RSPs by compressive stress, rendering the RSPs electrochemically active. Consequently, the ASSBs with predominant RSP in the NMC cathode deliver remarkable long cycle life of 4000 cycles at high areal capacity of 4.3 mAh/cm 2 . Our study unveils distinct mechano-electrochemistry of RSPs in ASSBs that can be harnessed to enable high energy density and durable ASSBs.

25 ENERGY STORAGE↗
DOE OSTI2016

Mesons in strong magnetic fields: (I) General analyses

Here, we study properties of neutral and charged mesons in strong magnetic fields |eB| >> Λ 2 QCD with Λ QCD being the QCD renormalization scale. Assuming long-range interactions, we examine magnetic-field dependences of various quantities such as the constituent quark mass, chiral condensate, meson spectra, and meson wavefunctions by analyzing the Schwinger–Dyson and Bethe–Salpeter equations. Based on the density of states obtained from these analyses, we extend the hadron resonance gas (HRG) model to investigate thermodynamics at large B. As B increases the meson energy behaves as a slowly growing function of the meson's transverse momenta, and thus a large number of meson states is accommodated in the low energy domain; the density of states at low temperature is proportional to B 2 . This extended transverse phase space in the infrared regime significantly enhances the HRG pressure at finite temperature, so that the system reaches the percolation or chiral restoration regime at lower temperature compared to the case without a magnetic field; this simple picture would offer a gauge invariant and intuitive explanation of the inverse magnetic catalysis.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Investigating the impact of preparation routes on the properties of copper-decorated silicon particles as anode materials for lithium-ion batteries

In recent years, the calendar life of Si has been recognized as a significant issue that must be addressed prior to technology deployment: The carbon conductive additive is a potential source of parasitic side reactions. However, carbon remains essential due to the low electronic conductivity of Si. In this study, we investigate the use of Cu as a conductive additive and potential alternative to carbon. Some Cu-decorated silicon particles (Si Cu ) were prepared using physical vapor deposition (PVD) via sputtering and high-energy milling. Other Si Cu particles were prepared by using a solution method and examined briefly. The milling method caused Cu to appear as island-like features on the Si surface, whereas the PVD method initially produced similar island-like features that gradually developed into a continuous coating around the Si as sputtering time increased. Electrodes fabricated from Si Cu exhibited lower overall resistivity, demonstrating the beneficial effect of Cu in improving electronic percolation through the electrode. Electrochemical tests showed that the milled SiCu exhibited higher capacity retention, improved rate capability, and lower overpotential. Furthermore, Si Cu coupled with an NMC811 cathode exhibited lower leakage currents compared with the baseline silicon, indicating that incorporating Cu provided an additional advantage of minimizing parasitic currents in the cells.

25 ENERGY STORAGE↗
DOE OSTI2020

Electrical injection and transport in Teflon-diluted hole transport materials

Diluting small molecule organic semiconductor hole transport materials with Teflon AF (TAF) dramatically increases their thermal/morphological stability while counterintuitively also increasing the current density in hole-only diodes. Here, we explore the origin of this current enhancement in co-evaporated blends of TAF and N,N'-Di(1-naphthyl)-N,N'-diphenyl-(1,1'-biphenyl)-4,4'-diamine (NPD) and find that it results from improved hole injection and not from a mobility enhancement due to semiconductor dilution effects. Whereas electroabsorption measurements indicate that an interface dipole shift of up to 0.5 eV (depending on TAF concentration) aides hole injection at the indium-tin-oxide anode, time-of-flight and temperature-dependent current-voltage measurements show that the mobility of 25 vol% TAF:NPD blends decreases by roughly an order of magnitude relative to neat NPD despite having slightly lower energetic disorder. For comparison, diluting with 25 vol% high density polyethylene achieves a similar reduction in energetic disorder but only decreases the mobility by a factor of two. Furthermore, these results highlight the tradeoff between reducing energetic disorder and frustrating percolation in diluted organic semiconductors, and represent a step toward thermally-evaporated polymer-small molecule composites that maintain high mobility while offering improved morphological stability and lower refractive index for organic light emitting diodes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Processable conductive graphene/polyethylene nanocomposites: Effects of graphene dispersion and polyethylene blending with oxidized polyethylene on rheology and microstructure

Poor dispersion of graphene in non-polar polymer matrices creates composites with limited applications. A method to improve the dispersion of graphene in polyethylene (PE) via blending PE with oxidized PE (OPE) is examined. Graphene was produced by simultaneous thermal exfoliation and reduction of graphite oxide. Nanocomposites of graphene with PE as well as graphene with PE/OPE-blends were prepared by solvent blending. Improved dispersion of graphene in PE/OPE blends substantially decreases percolation from both rheological (0.3 vol%) and electrical (0.13 vol%) measurements compared to neat PE nanocomposites (1 and 0.29 vol%), respectively. A universal Brownian dispersion of graphene in polymers was concluded similar to that of nanotubes, following the Doi-Edwards theory. Micromechanical models, such as Mori-Tanaka and Halpin-Tsai models, modeled the mechanical properties of the nanocomposites. The nanocomposites microstructure, studied by small angle x-ray scattering, confirmed better dispersion of graphene at lower loadings and the formation of surface fractals in the blend/graphene nanocomposites; whereas only mass fractals were observed in neat PE/graphene nanocomposites.

graphene↗
DOE OSTI2017

A pseudo-thermodynamic description of dispersion for nanocomposites

Dispersion in polymer nanocomposites is determined by the kinetics of mixing and chemical affinity. Compounds like reinforcing filler/elastomer blends display some similarity to colloidal solutions in that the filler particles are close to randomly dispersed through processing. It is attractive to apply a pseudo-thermodynamic approach taking advantage of this analogy between the kinetics of mixing for polymer compounds and thermally driven dispersion for colloids. In order to demonstrate this pseudo-thermodynamic approach, two polybutadienes and one polyisoprene were milled with three carbon blacks and two silicas. These samples were examined using small-angle x-ray scattering as a function of filler concentration to determine a pseudo-second order virial coefficient, A 2 , which is used as an indicator for compatibility of the filler and polymer. It is found that A 2 follows the expected behavior with lower values for smaller primary particles indicating that smaller particles are less compatible and more difficult to mix. The measured values of A 2 can be used to specify repulsive interaction potentials for coarse grain DPD simulations of filler/elastomer systems. In addition, new methods to quantify the filler percolation threshold and filler mesh size as a function of filler concentration are obtained. Moreover, the results represent a new approach to understanding and predicting compatibility in polymer nanocomposites based on a pseudo-thermodynamic approach.

36 MATERIALS SCIENCE↗