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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

Abruptness of Cascade Failures in Power Grids

Electric power-systems are one of the most important critical infrastructures. In recent years, they have been exposed to extreme stress due to the increasing demand, the introduction of distributed renewable energy sources, and the development of extensive interconnections. We investigate the phenomenon of abrupt breakdown of an electric power-system under two scenarios: load growth (mimicking the ever-increasing customer demand) and power fluctuations (mimicking the effects of renewable sources). Our results on real, realistic and synthetic networks indicate that increasing the system size causes breakdowns to become more abrupt; in fact, mapping the system to a solvable statistical-physics model indicates the occurrence of a first order transition in the large size limit. Such an enhancement for the systemic risk failures (black-outs) with increasing network size is an effect that should be considered in the current projects aiming to integrate national power-grids into ‘‘super-grids’’.

42 ENGINEERING↗
DOE OSTI2014

Mesoporous CNT@TiO2-C Nanocable with Extremely Durable High Rate Capability for Lithium-Ion Battery Anodes

A well-designed nanostructure CNT@TiO2-C with fine anatase TiO2 particle (, 8 nm), good electronic conducting network (inner CNT core and outer carbon layer), and mesoporous structure was prepared by a simple and green one-pot hydrothermal reaction. The utilization of glucose in the hydrothermal process not only solves the interfacial incompatibility between CNTs and titanate sol and controls the nucleation and growth of TiO2 particles, but also introduces a uniform, glucose-derived, carbon-layer on the TiO2 particles. The nanosized TiO2 particle, high conducting network, and interconnected nanopores of the CNT@TiO2-C nanocable greatly improve its electrochemical performances, especially rate capability. The CNT@TiO2-C nanocables show remarkable rate capability with reversible charge capacity of 297, 240, 210,178 and 127 mAh g21 at 1C, 5C, 10C, 20C and 50C, respectively, as well as excellent high rate cycling stability with capacity retention of 87% after 2000 cycles at 50C.

BATTERIES↗
DOE OSTI2015

Designing Dual-functionalized Gels for Self-reconfiguration and Autonomous Motion

Human motion is enabled by the concerted expansion and contraction of interconnected muscles that are powered by inherent biochemical reactions. One of the challenges in the field of biomimicry is eliciting this form of motion from purely synthetic materials, which typically do not generate internalized reactions to drive mechanical action. Moreover, for practical applications, this bio-inspired motion must be readily controllable. Herein, we develop a computational model to design a new class of polymer gels where structural reconfigurations and internalized reactions are intimately linked to produce autonomous motion, which can be directed with light. These gels contain both spirobenzopyran (SP) chromophores and the ruthenium catalysts that drive the oscillatory Belousov-Zhabotinsky (BZ) reaction. Importantly, both the SP moieties and the BZ reaction are photosensitive. When these dual-functionalized gels are exposed to non-uniform illumination, the localized contraction of the gel (due to the SP moieties) in the presence of traveling chemical waves (due to the BZ reaction) leads to new forms of spontaneous, self-sustained movement, which cannot be achieved by either of the mono-functionalized networks.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Self-organization of network dynamics into local quantized states

Self-organization and pattern formation in network-organized systems emerges from the collective activation and interaction of many interconnected units. A striking feature of these non-equilibrium structures is that they are often localized and robust: only a small subset of the nodes, or cell assembly, is activated. Understanding the role of cell assemblies as basic functional units in neural networks and socio-technical systems emerges as a fundamental challenge in network theory. A key open question is how these elementary building blocks emerge, and how they operate, linking structure and function in complex networks. Here we show that a network analogue of the Swift-Hohenberg continuum model—a minimal-ingredients model of nodal activation and interaction within a complex network—is able to produce a complex suite of localized patterns. Thus, the spontaneous formation of robust operational cell assemblies in complex networks can be explained as the result of self-organization, even in the absence of synaptic reinforcements.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

Low-power light guiding and localization in optoplasmonic chains obtained by directed self-assembly

Here, optoplasmonic structures contain plasmonic components embedded in a defined photonic environment to create synergistic interactions between photonic and plasmonic components. Here, we show that chains of optical microspheres containing gold nanoparticles in their evanescent field combine the light guiding properties of a microsphere chain with the light localizing properties of a plasmonic nanoantenna. We implement these materials through template guided self-assembly and investigate their fundamental electromagnetic working principles through combination of electromagnetic simulations and experimental characterization. We demonstrate that optoplasmonic chains implemented by directed self-assembly achieve a significant reduction in guiding losses when compared with conventional plasmonic waveguides and, at the same time, retain the light localizing properties of plasmonic antennas at pre-defined locations. The results reinforce the potential of optoplasmonic structures for realizing low-loss optical interconnects with high bandwidth.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Addition of P3HT-grafted Silica nanoparticles improves bulk-heterojunction morphology in P3HT-PCBM blends

We present molecular dynamics simulations of a ternary blend of P3HT, PCBM and P3HT-grafted silica nanoparticles (SiNP) for applications in polymer-based solar cells. Using coarse-grained models, we study the effect of SiNP on the spatial arrangement of PCBM in P3HT. Our results suggest that addition of SiNP not only alters the morphology of PCBM clusters but also improves the crystallinity of P3HT. We exploit the property of grafted SiNP to self-assemble into a variety of anisotropic structures and the tendency of PCBM to preferentially adhere to SiNP surface, due to favorable interactions, to achieve morphologies with desirable characteristics for the active layer, including domain size, crystallinity of P3HT, and elimination of isolated islands of PCBM. As the concentration of SiNP increases, the number of isolated PCBM molecules decreases, which in turn improves the crystallinity of P3HT domains. We also observe that by tuning the grafting parameters of SiNP, it is possible to achieve structures ranging from cylindrical to sheets to highly interconnected network of strings. The changes brought about by addition of SiNP shows a promising potential to improve the performance of these materials when used as active layers in organic photovoltaics.

42 ENGINEERING↗
DOE OSTI2016

Electrohydrodynamic-assisted Assembly of Hierarchically Structured, 3D Crumpled Nanostructures for Efficient Solar Conversions

The tantalizing prospect of harnessing the unique properties of graphene crumpled nanostructures continues to fuel tremendous interest in energy storage and harvesting applications. However, the paper ball-like, hard texture, and closed-sphere morphology of current 3D graphitic nanostructure production not only constricts the conductive pathways but also limits the accessible surface area. Here, we report new insights into electrohydrodynamically-generated droplets as colloidal nanoreactors in that the stimuli-responsive nature of reduced graphene oxide can lead to the formation of crumpled nanostructures with a combination of open structures and doubly curved, saddle-shaped edges. In particular, the crumpled nanostructures dynamically adapt to non-spherical, polyhedral shapes under continuous deposition, ultimately assembling into foam-like microstructures with a highly accessible surface area and spatially interconnected transport pathways. The implementation of such crumpled nanostructures as three-dimensional rear contacts for solar conversion applications realize benefits of a high aspect ratio, electrically addressable and energetically favorable interfaces, and substantial enhancement of both short-circuit currents and fill-factors compared to those made of planar graphene counterparts. Further, the 3D crumpled nanostructures may shed lights onto the development of effective electrocatalytic electrodes due to their open structure that simultaneously allows for efficient water flow and hydrogen escape.

25 ENERGY STORAGE↗
DOE OSTI2013

Understanding the origin of high-rate intercalation pseudocapacitance in Nb 2 O 5 crystals

Pseudocapacitors aim to maintain the high power density of supercapacitors while increasing the energy density towards those of energy dense storage systems such as lithium ion batteries. Recently discovered intercalation pseudocapacitors (e.g. Nb 2 O 5 ) are particularly interesting because their performance is seemingly not limited by surface reactions or structures, but instead determined by the bulk crystalline structure of the material. We study ordered polymorphs of Nb 2 O 5 and detail the mechanism for the intrinsic high rates and energy density observed for this class of materials. We find that the intercalating atom (lithium) forms a solid solution adsorbing at specific sites in a network of quasi-2D NbO x faces with x {1.3, 1.67, or 2}, donating electrons locally to its neighboring atoms, reducing niobium. Open channels in the structure have low diffusion barriers for ions to migrate between these sites (Eb 0.28 0.44 eV) comparable to high-performance solid electrolytes. Using a combination of complementary theoretical methods we rationalize this effect in Li x Nb 2 O 5 for a wide range of compositions (x) and at finite temperatures. Multiple adsorption sites per unit-cell with similar adsorption energies and local charge transfer result in high capacity and energy density, while the interconnected open channels lead to low cost diffusion pathways between these sites, resulting in high power density. The nano-porous structure exhibiting local chemistry in a crystalline framework is the origin of high-rate pseudocapacitance in this new class of intercalation pseudocapacitor materials. As a result, this new insight provides guidance for improving the performance of this family of materials.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Ion transport and softening in a polymerized ionic liquid

Polymerized ionic liquids (PolyILs) are promising materials for various solid state electronic applications such as dye-sensitized solar cells, lithium batteries, actuators, field-effect transistors, light emitting electrochemical cells, and electrochromic devices. However, fundamental understanding of interconnection between ionic transport and mechanical properties in PolyILs is far from complete. In this paper, local charge transport and structural changes in films of a PolyIL are studied using an integrated experiment-theory based approach. Experimental data for the kinetics of charging and steady state current–voltage relations can be explained by taking into account the dissociation of ions under an applied electric field (known as the Wien effect). Onsager's theory of the Wien effect coupled with the Poisson–Nernst–Planck formalism for the charge transport is found to be in excellent agreement with the experimental results. The agreement between the theory and experiments allows us to predict structural properties of the PolyIL films. We have observed significant softening of the PolyIL films beyond certain threshold voltages and formation of holes under a scanning probe microscopy (SPM) tip, through which an electric field was applied. Finally, the observed softening is explained by the theory of depression in glass transition temperature resulting from enhanced dissociation of ions with an increase in applied electric field.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Power generation from nanostructured PbTe-based thermoelectrics: comprehensive development from materials to modules

In this work, we demonstrate the use of high performance nanostructured PbTe-based materials in high conversion efficiency thermoelectric modules. We fabricated the samples of PbTe-2% MgTe doped with 4% Na and PbTe doped with 0.2% PbI2 with high thermoelectric figure of merit (ZT) and sintered them with Co-Fe diffusion barriers for use as p- and n-type thermoelectric legs, respectively. Transmission electron microscopy of the PbTe legs reveals two shapes of nanostructures, disk-like and spherical. The reduction in lattice thermal conductivity through nanostructuring gives a ZT of similar to 1.8 at 810 K for p-type PbTe and similar to 1.4 at 750 K for n-type PbTe. Nanostructured PbTe-based module and segmented-leg module using Bi2Te3 and nanostructured PbTe were fabricated and tested with hot-side temperatures up to 873 K in a vacuum. The maximum conversion efficiency of similar to 8.8% for a temperature difference (Delta T) of 570 K and B11% for a Delta T of 590 K have been demonstrated in the nanostructured PbTe-based module and segmented Bi2Te3/nanostructured PbTe module, respectively. Three-dimensional finite-element simulations predict that the maximum conversion efficiency of the nanostructured PbTe-based module and segmented Bi2Te3/nanostructured PbTe module reaches 12.2% for a Delta T of 570 K and 15.6% for a Delta T of 590 K respectively, which could be achieved if the electrical and thermal contact between the nanostructured PbTe legs and Cu interconnecting electrodes is further improved.

Hu, Xiaokai↗
DOE OSTI2015

Reductive deconstruction of organosolv lignin catalyzed by zeolite supported nickel nanoparticles

Mechanistic aspects of deconstruction and hydrodeoxygenation of organosolv lignin using supported Ni catalysts with (Ni/HZSM-5 and Ni/HBEA) and without Brønsted acid sites (Ni/SiO2) are reported. Lignin was deconstructed and converted to saturated cyclic hydrocarbons ranging from C5 to C14. In the one-stage reaction, full conversion with total yield of 70 ± 5 wt.% saturated hydrocarbons was achieved at 593 K and 20 bar H2. The organosolv lignin used consists of seven to eight monolignol subunits and has an average molecular weight of ca. 1200 g mol-1. The monolignols were mainly guaiacyl, syringyl and phenylcoumaran, randomly interconnected through β-O-4, 4-O-5, β-1, 5-5’ and β-β ether bonds. In situ IR spectroscopy was used to follow the changes in lignin constituents during reaction. The proposed reaction pathways for the catalytic transformation of this organosolv lignin to alkanes start with the hydrogenolysis of aryl alkyl ether bonds, followed by hydrogenation of the aromatic compounds on Ni to cyclic alcohols. Oxygen is removed from the alcohols via dehydration on Brønsted acid sites to yield cyclic alkenes that are further hydrogenated to alkanes. Formation of condensation products may occur via intermolecular recombination of aromatic monomers or alkylation of aromatic compounds by alkenes. The financial support from TUM-PNNL cooperation project “Development of new methods for in situ characterization in liquid phase reactions” (CN-177939) is highly appreciated. The work by S.K., H.S., and J.A.L was partially supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences.

Kasakov, Stanislav↗
DOE OSTI2015

Modular microfluidics for point-of-care protein purifications

Biochemical separations are the heart of diagnostic assays and purification methods for biologics. On-chip miniaturization and modularization of separation procedures will enable the development of customized, portable devices for personalized health-care diagnostics and point-of-use production of treatments. In this report, we describe the design and fabrication of miniature ion exchange, size exclusion and affinity chromatography modules for on-chip clean-up of recombinantly-produced proteins. Our results demonstrate that these common separations techniques can be implemented in microfluidic modules with performance comparable to conventional approaches. We introduce embedded 3-D microfluidic interconnects for integrating micro-scale separation modules that can be arranged and reconfigured to suit a variety of fluidic operations or biochemical processes. In conclusion, we demonstrate the utility of the modular approach with a platform for the enrichment of enhanced green fluorescent protein (eGFP) from Escherichia coli lysate through integrated affinity and size-exclusion chromatography modules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Robust Ag nanoplate ink for flexible electronics packaging

Nanoinks are currently a topic of heightened interest with respect to low temperature bonding processes and printable electronics. We have developed an innovative polyvinylpyrrolidone (PVP)-stabilized Ag nanoplate ink amenable to very strong low temperature packaging, and investigated the relationship between bonding strength and electrical conductivity post-bonding. PVP shell plastic deformations observed in failure microcracks with the formation of PVP nanofibers, revealed bonding strength at low temperatures (<250 °C) was primarily due to adhesive bonding. Here, it is found that, utilizing photonic sintering, ~70 °C reduction of transformation temperature from adhesive to metallic bonding was achieved compared to that of thermal sintering. A numerical simulation was developed to better understand the influences of the light-induced heat generation, which demonstrated near-infrared light can facilitate sintering. Bonding strengths of 27 MPa were achieved at room temperatures, and 29.4 MPa at 210 °C with photonic sintering. Moreover, the anisotropic resistivity was observed with different thermal dependences. Furthermore, these results demonstrate Ag nanoplate inks have potential for low temperature 3D interconnections in lead-free microcircuits, flexible electronic packaging, and diverse sensing applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

High rate sodium ion battery anodes from block copolymer templated mesoporous nickel–cobalt carbonates and oxides

In this work, micelle-templated ordered mesoporous nickel–cobalt carbonates and oxides are fabricated using a metal nitrate–citric acid strategy, which avoids the hydrolysis and aging requirements associated with sol–gel chemistry. A series of mesoporous Ni x Co (3– x ) (CO 3 ) y and Ni x Co (3– x ) O 4 films with varying Ni–Co compositions and 14 ± 4 nm mesopores are fabricated with the same block copolymer template. AFM and GISAXS analysis indicates that the mesostructure is maintained through the formation of the carbonate and oxide, while GIXD profiles confirm formation of pure spinel phases of semi-crystalline Ni x Co (3– x ) O 4 . The micelle templated mesopores are interconnected and provide transport paths for the electrolyte to minimize the solid-state diffusion requirements associated with battery electrodes. These materials exhibit good performance as sodium ion battery anodes even at high current densities of 4 A g –1 . Amongst the mixed-metal oxides, Ni 2 CoO 4 exhibits the highest specific capacity of 239 mA h g –1 after galvanostatic cycling at a current density of 1 A g –1 for 10 cycles. We attribute the superior performance of Ni 2 CoO 4 at high rates to the high surface area and short ion-diffusion paths of the nanoporous anode architecture, while the higher nickel content in the mixed metal oxide provides enhanced stability during oxide formation along with enhanced electronic conductivity, leading to improved cycling stability of the anode. This micelle template metal nitrate–citric acid method enables new possibilities for fabricating variety of ordered mesoporous mixed-metal carbonates and oxides that could be used in a wide range of applications.

25 ENERGY STORAGE↗
DOE OSTI2015

Monolithic graded-refractive-index glass-based antireflective coatings. Broadband/omnidirectional light harvesting and self-cleaning characteristics

The design of multifunctional coatings impact impact the performance of many optical systems and components. Such coatings should be mechanically robust, and combine user-defined optical and wetting functions with scalable fabrication formulations. By taking cues from the properties of some natural biological structures, we report here the formation of low-refractive index antireflective glass films that embody omni-directional optical properties over a wide range of wavelengths, while also possessing specific wetting capabilities. The coatings comprise an interconnected network of nanoscale pores surrounded by a nanostructured silica framework. These structures result from a novel fabrication method that utilizes metastable spinodal phase separation in glass-based materials. The approach not only enables design of surface microstructures with graded-index antireflection characteristics, where the surface reflection is suppressed through optical impedance matching between interfaces, but also facilitates self-cleaning ability through modification of the surface chemistry. Based on near complete elimination of Fresnel reflections (yielding >95% transmission through a single-side coated glass) and corresponding increase in broadband transmission, the fabricated nanostructured surfaces are found to promote a general and an invaluable ~3–7% relative increase in current output of multiple direct/indirect bandgap photovoltaic cells. Moreover, these antireflective surfaces also demonstrate superior resistance against mechanical wear and abrasion. Unlike conventional counterparts, the present antireflective coatings are essentially monolithic, enabling simultaneous realization of graded index anti-reflectivity, self-cleaning capability, and mechanical stability within the same surface. Moreover, the concept represents a fundamental basis for development of advanced coated optical quality products, especially where environmental exposure is required.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Chemicals from lignin: an interplay of lignocellulose fractionation, depolymerisation, and upgrading

In pursuit of more sustainable and competitive biorefineries, the effective valorisation of lignin is key. An alluring opportunity is the exploitation of lignin as a resource for chemicals. Three technological biorefinery aspects will determine the realisation of a successful lignin-to-chemicals valorisation chain, namely (i) lignocellulose fractionation, (ii) lignin depolymerisation, and (iii) upgrading towards targeted chemicals. This review provides a summary and perspective of the extensive research that has been devoted to each of these three interconnected biorefinery aspects, ranging from industrially well-established techniques to the latest cutting edge innovations. To navigate the reader through the overwhelming collection of literature on each topic, distinct strategies/topics were delineated and summarised in comprehensive overview figures. Upon closer inspection, conceptual principles arise that rationalise the success of certain methodologies, and more importantly, can guide future research to further expand the portfolio of promising technologies. When targeting chemicals, a key objective during the fractionation and depolymerisation stage is to minimise lignin condensation (i.e. formation of resistive carbon–carbon linkages). During fractionation, this can be achieved by either (i) preserving the (native) lignin structure or (ii) by tolerating depolymerisation of the lignin polymer but preventing condensation through chemical quenching or physical removal of reactive intermediates. The latter strategy is also commonly applied in the lignin depolymerisation stage, while an alternative approach is to augment the relative rate of depolymerisation vs. condensation by enhancing the reactivity of the lignin structure towards depolymerisation. Finally, because depolymerised lignins often consist of a complex mixture of various compounds, upgrading of the raw product mixture through convergent transformations embodies a promising approach to decrease the complexity. This particular upgrading approach is termed funneling, and includes both chemocatalytic and biological strategies.

09 BIOMASS FUELS↗
DOE OSTI2017

A nickel-foam@carbon-shell with a pie-like architecture as an efficient polysulfide trap for high-energy Li–S batteries

A high-loading sulfur cathode is critical for establishing rechargeable lithium–sulfur (Li–S) batteries with the anticipated high energy density. However, its fabrication as well as realizing high electrochemical utilization and stability with high-loading sulfur cathodes is a daunting challenge. Here, we present a new pie-like electrode that consists of an electrocatalytic nickel-foam as a “filling” to adsorb and store polysulfide catholytes and an outer carbon shell as a “crust” for facilitating high-loading sulfur cathodes with superior electrochemical and structural stabilities. The inner electrocatalytic nickel-foam is configured to adsorb polysulfides and facilitate their redox reactions. The intertwined carbon shell assists to shield the polysulfides within the cathode region of the cell. Both the nickel-foam and the carbon shell have high conductivity and porous space, which serve simultaneously as interconnected current collectors to enhance the redox kinetics and as polysulfide reservoirs to confine the active material. The effectiveness of such a pie-like structure in improving the electrochemical efficiency enables the cathode to host an ultrahigh sulfur loading of 40 mg cm -2 and attain a high areal capacity of over 40 mA h cm -2 at a low electrolyte/sulfur (E/S) ratio of 7. The enhanced cyclability is reflected in a high reversible areal capacity approaching 30 mA h cm -2 at C/5 rate after 100 cycles and excellent rate capability up to 2C rate.

25 ENERGY STORAGE↗

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