Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “DENSIFICATION”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Molecular dynamics study on the interfacial properties of mixtures of monomers of polyvinylpyrrolidone (PVP)-based battery binders on graphene and graphite surfaces

This study investigates the behavior of two different mixtures of monomers of polyvinylpyrrolidone (PVP)-based battery binders, polyvinylpyrrolidone:polyvinylidene difluoride (PVP:PVDF) and polyvinylpyrrolidone:polyacrylic acid (PVP:PAA), at graphene and graphite interfaces using classical molecular dynamics simulations. The aim is to identify the best performing monomer binder blend and carbon-based material for the design of battery-optimized energy devices. The PVP:PAA monomer binder blend and graphite are found to have the best interaction energies, densification upon adsorption, and more ordered structure. The adsorption of both monomer binder blends is strongly guided by the higher affinity of PVP and PAA monomeric molecules for the surfaces compared to PVDF. The structure of adsorbed layers of PVP:PVDF monomer binder blend on graphene and graphite develops more quickly than PVP:PAA, indicating faster kinetics. This study complements a previous density functional theory study recently reported by our group and contributes to a better understanding of the nanoscopic features of relevant interfacial regions involving mixtures of monomers of PVP-based battery binders and different carbon-based materials. In conclusion, the effect of a blend of commonly used monomer binders on carbon-based materials is essential for obtaining tightly bound anode and cathode active materials in lithium-ion batteries, which is crucial for designing battery-optimized energy devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Modulation of dielectric properties of hexagonal/cubic boron nitride composites

In this work, we synthesized mixed-phase hexagonal-boron nitride (h-BN)/cubic-BN (c-BN) composites with varying ratios and investigated their frequency and temperature-dependent dielectric properties. As the ratio of c-BN increased, we observed a corresponding increase in the dielectric constant of the composites. Furthermore, we used spark-plasma sintering (SPS) to treat the mixed-phase composite, which resulted in a phase transformation from mixed phase to pure h-BN phase. Remarkably, the composite exhibited an increase in dielectric constant after the SPS process, which can be attributed to the densification of the composite and the enhancement in grain size. Our approach presents a promising strategy for effectively modulating the dielectric properties of BN, which is crucial for advanced electronics.

Physics↗
DOE OSTI2019

Expeditious, scalable solution growth of metal oxide films by combustion blade coating for flexible electronics

Metal oxide (MO) semiconductor thin films prepared from solution typically require multiple hours of thermal annealing to achieve optimal lattice densification, efficient charge transport, and stable device operation, presenting a major barrier to roll-to-roll manufacturing. Here, we report a highly efficient, cofuel-assisted scalable combustion blade-coating (CBC) process for MO film growth, which involves introducing both a fluorinated fuel and a preannealing step to remove deleterious organic contaminants and promote complete combustion. Ultrafast reaction and metal–oxygen–metal (M-O-M) lattice condensation then occur within 10–60 s at 200–350 °C for representative MO semiconductor [indium oxide (In 2 O 3 ), indium-zinc oxide (IZO), indium-gallium-zinc oxide (IGZO)] and dielectric [aluminum oxide (Al 2 O 3 )] films. Furthermore, wafer-scale CBC fabrication of IGZO-Al 2 O 3 thin-film transistors (TFTs) (60-s annealing) with field-effect mobilities as high as ~25 cm 2 V –1 s –1 and negligible threshold voltage deterioration in a demanding 4,000-s bias stress test are realized. Combined with polymer dielectrics, the CBC-derived IGZO TFTs on polyimide substrates exhibit high flexibility when bent to a 3-mm radius, with performance bending stability over 1,000 cycles.

36 MATERIALS SCIENCE↗
DOE OSTI2020

How cholesterol stiffens unsaturated lipid membranes

Cholesterol is an integral component of eukaryotic cell membranes and a key molecule in controlling membrane fluidity, organization, and other physicochemical parameters. It also plays a regulatory function in antibiotic drug resistance and the immune response of cells against viruses, by stabilizing the membrane against structural damage. While it is well understood that, structurally, cholesterol exhibits a densification effect on fluid lipid membranes, its effects on membrane bending rigidity are assumed to be nonuniversal; i.e., cholesterol stiffens saturated lipid membranes, but has no stiffening effect on membranes populated by unsaturated lipids, such as 1,2-dioleoyl- sn -glycero-3-phosphocholine (DOPC). This observation presents a clear challenge to structure–property relationships and to our understanding of cholesterol-mediated biological functions. Here, using a comprehensive approach—combining neutron spin-echo (NSE) spectroscopy, solid-state deuterium NMR ( 2 H NMR) spectroscopy, and molecular dynamics (MD) simulations—we report that cholesterol locally increases the bending rigidity of DOPC membranes, similar to saturated membranes, by increasing the bilayer’s packing density. All three techniques, inherently sensitive to mesoscale bending fluctuations, show up to a threefold increase in effective bending rigidity with increasing cholesterol content approaching a mole fraction of 50%. Our observations are in good agreement with the known effects of cholesterol on the area-compressibility modulus and membrane structure, reaffirming membrane structure–property relationships. The current findings point to a scale-dependent manifestation of membrane properties, highlighting the need to reassess cholesterol’s role in controlling membrane bending rigidity over mesoscopic length and time scales of important biological functions, such as viral budding and lipid–protein interactions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Mechanical design of the highly porous cuttlebone: A bioceramic hard buoyancy tank for cuttlefish

Cuttlefish, a unique group of marine mollusks, produces an internal biomineralized shell, known as cuttlebone, which is an ultra-lightweight cellular structure (porosity, ~93 vol%) used as the animal’s hard buoyancy tank. Although cuttlebone is primarily composed of a brittle mineral, aragonite, the structure is highly damage tolerant and can withstand water pressure of about 20 atmospheres (atm) for the species Sepia officinalis . Currently, our knowledge on the structural origins for cuttlebone’s remarkable mechanical performance is limited. Combining quantitative three-dimensional (3D) structural characterization, four-dimensional (4D) mechanical analysis, digital image correlation, and parametric simulations, here we reveal that the characteristic chambered “wall–septa” microstructure of cuttlebone, drastically distinct from other natural or engineering cellular solids, allows for simultaneous high specific stiffness (8.4 MN∙m/kg) and energy absorption (4.4 kJ/kg) upon loading. We demonstrate that the vertical walls in the chambered cuttlebone microstructure have evolved an optimal waviness gradient, which leads to compression-dominant deformation and asymmetric wall fracture, accomplishing both high stiffness and high energy absorption. Moreover, the distribution of walls is found to reduce stress concentrations within the horizontal septa, facilitating a larger chamber crushing stress and a more significant densification. Overall, the design strategies revealed here can provide important lessons for the development of low-density, stiff, and damage-tolerant cellular ceramics.

42 ENGINEERING↗
DOE OSTI2021

Pentiptycene-based ladder polymers with configurational free volume for enhanced gas separation performance and physical aging resistance

Significance Gas separation membranes are an emerging energy-efficient alternative toward conventional, energy-intensive separation technologies such as cryogenic distillation. Ladder polymers with intrinsic microporosity show exceptional promise toward redefining state-of-the-art gas separation membranes due to their high permeability (throughput) and selectivity (separation efficiency). However, they are typically inhibited by major reductions in permeability over time due to collapsing membrane free volume (open space between polymer chains), forfeiting their greatest asset. This work explores a route toward enhanced aging resistance and overall separation performance by incorporating pentiptycene (an H-shaped scaffold containing five fused arene rings) into ladder-like polymers to incorporate natural, more permanent “micropores” that aren’t susceptible to densification of polymer chains that occurs over time in traditional microporous polymers.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Vertically assembled nanosheet networks for high-density thick battery electrodes

As one of the prevailing energy storage systems, lithium-ion batteries (LIBs) have become an essential pillar in electric vehicles (EVs) during the past decade, contributing significantly to a carbon-neutral future. However, the complete transition to electric vehicles requires LIBs with yet higher energy and power densities. Here, we propose an effective methodology via controlled nanosheet self-assembly to prepare low-tortuosity yet high-density and high-toughness thick electrodes. By introducing a delicate densification in a three-dimensionally interconnected nanosheet network to maintain its vertical architecture, facile electron and ion transports are enabled despite their high packing density. This dense and thick electrode is capable of delivering a high volumetric capacity >1,600 mAh cm −3 , with an areal capacity up to 32 mAh cm −2 , which is among the best reported in the literature. The high-performance electrodes with superior mechanical and electrochemical properties demonstrated in this work provide a potentially universal methodology in designing advanced battery electrodes with versatile anisotropic properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Densified vertically lamellar electrode architectures for compact energy storage

As one of the most compact electrochemical energy storage systems, lithium-ion batteries (LIBs) are playing an indispensable role in the process of vehicle electrification to accelerate the shift to sustainable mobility. Making battery electrodes thicker is a promising strategy for improving the energy density of LIBs which is essential for applications with weight or volume constraints, such as electric-powered transportation; however, their power densities are often significantly restricted due to elongated and tortuous charge traveling distances. Here, we propose an effective methodology that couples bidirectional freeze-casting and compression-induced densification to create densified vertically lamellar electrode architectures for compact energy storage. The vertically lamellar architectures not only overcome the critical thickness limit for conventional electrodes but also facilitate and redistribute the lithium-ion flux enabling both high rate capability and stable cyclability. Furthermore, this proposed methodology is universal as demonstrated in various electrochemical active material systems. This study offers a facile approach that realizes simultaneous high energy and high power in high-loading battery electrodes and provides useful rationales in designing electrode architectures for scalable energy storage systems.

42 ENGINEERING↗
DOE OSTI2016

Impact of ammonia fiber expansion (AFEX) pretreatment on energy consumption during drying, grinding, and pelletization of corn stover

Pretreatment and densification of biomass can increase the viability of bioenergy production by providing a feedstock that is readily hydrolyzed and able to be transported greater distances. Ammonia Fiber Expansion (AFEX) is one such method targeted for use at distributed depots to create a value-added and densified feedstock for bioenergy use. However, the pretreatment process results in a high-moisture material that must be dried, further size reduced, and pelletized; all of which are energy intensive processes. This work quantifies the energy consumption required to dry, grind, and densify AFEX pretreated corn stover compared to non-pretreated stover and explores the potential of reduced drying as a means to conserve energy. The purpose of this work is to understand whether material property changes resulting from AFEX pretreatment influence the material performance in downstream formatting operations. Material properties, heat balance equations, and a rotary drum dryer model were used to model a commercial scale rotary drum dryer for AFEX pretreated corn stover, showing the potential to reduce dryer energy consumption by up to 36% compared to non-pretreated corn stover. Laboratory measured grinding and pelleting energies were both very sensitive to material moisture content. Overall, the total energy required for drying, grinding, and pelleting amounts to a savings of up to 20 kWh/dry ton for the AFEX pretreated material when dried to a low moisture content, equating to up to 0.55 /kg savings for gas and electricity. Grinding and pelleting of high moisture AFEX pretreated stover was shown to be more costly than the savings collected through reduced drying. Furthermore, while the energy and cost savings shown here are modest, the results help to highlight operational challenges and opportunities for continued improvement.

09 BIOMASS FUELS↗
DOE OSTI2016

Bioprocessing-Based Approach for Bitumen/Water/Fines Separation and Hydrocarbon Recovery from Oil Sands Tailings

Oil sands are a major source of oil, but their industrial processing generates tailings ponds that are an environmental hazard. The main concerns are mature fine tailings (MFT) composed of residual hydrocarbons, water, and fine clay. Tailings ponds include toxic contaminants such as heavy metals, and toxic organics including naphthenics. Naphthenic acids and polyaromatic hydrocarbons (PAHs) degrade very slowly and pose a long-term threat to surface and groundwater, as they can be transported in the MFT. Research into improved technologies that would enable densification and settling of the suspended particles is ongoing. In batch tests, BioTiger™, a microbial consortium that can metabolize PAHs, demonstrated improved oil sands tailings settling from a Canadian tailings pond. Results also showed, depending on the timing of the measurements, lower suspended solids and turbidity. Elevated total organic carbon was observed in the first 48 hours in the BioTiger™-treated columns and then decreased in overlying water. Oil sands tailings mixed with BioTiger™ showed a two-fold reduction in suspended solids within 24 hours as compared to abiotic controls. The tailings treated with BioTiger™ increased in microbial densities three orders of magnitude from 8.5 × 105 CFU/mL to 1.2 × 108 CFU/mL without any other carbon or energy source added, indicating metabolism of hydrocarbons and other available nutrients. Results demonstrated that bioaugmentation of BioTiger™ increased separation of organic carbon from particles in oil sands and enhanced settling with tailings with improved water quality.

04 OIL SHALES AND TAR SANDS↗
DOE OSTI2023

Preparation of Macroscopic Low-Density Gold Foams with Good Machinability

Uniform, macroscopic monoliths (ranging from a few millimeters to a centimeter) of low-density gold foams with ~95% porosity and ~10-μm-diameter pores were prepared by the casting of gold-coated polystyrene core-shell particles followed by the thermal removal of the polymer core. The Au foams were composed of unique hollow gold spheres and showed superior mechanical integrity and resilience compared to the foams we previously reported. Highly efficient seeding and electroless gold-plating methods in this study caused a significant morphological transition in the gold coatings from coarse particles to fine particles, and finally, to a continuous layer. A modified, scalable casting approach to form large uniform monoliths (up to ~1-cm diameter) and a gentle baking condition to minimize undesirable densification of the final foams enabled us to develop a simple, efficient synthetic route to nanostructured macroscopic low-density gold foams. To demonstrate the improved mechanical stability and machinability, a representative monolithic Au foam (~0.9 g/cm 3 ) was carefully cut into the hollow cylinder of gold foams by a series of machining and processing steps. Finally, we tried to understand the unique mechanical behaviors and properties of this gold foam by nanoindentation measurement.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Combinatorial Deposition of Ultrathick Ta-W-Au-Bi High-Entropy Alloys for Next-Generation Hohlraums by Direct-Current Magnetron Sputtering

Hohlraum temperature calculations with the model by J. H. Hammer and M. D. Rosen predict a higher X-ray drive from Ta-W-Au-Bi high-entropy alloys compared to pure Au and recently developed Ta 4 Au and Au-Bi hohlraums. Here, we study the microstructure and properties of 25-75−µm-thick Ta-W-Au-Bi alloy films deposited via combinatorial direct-current magnetron sputtering. All of the films have promising physical properties, including high electrical resistivity, that satisfy the requirements for magnetically assisted inertial confinement fusion experiments. While porosity tends to increase with increasing Bi content, we also found that films with Bi content > 44 at. % exhibited densification close to the substrate/film interface and formed a single-phase alloy. In conclusion, these findings provide a potential path forward for the development of Ta-W-Au-Bi alloys for next-generation hohlraum materials.

Magnetron sputtering↗
DOE OSTI2010

Tomography and Simulation of Microstructure Evolution of a Closed-Cell Polymer Foam in Compression

Closed-cell foams in compression exhibit complex deformation characteristics that remain incompletely understood. In this paper the microstructural evolution of closed-cell polymethacrylimide foam was simulated in compression undergoing elastic, compaction, and densification stages. The three-dimensional microstructure of the foam is determined using Micro-Computed Tomography ({micro}-CT), and is converted to material points for simulations using the material point method (MPM). The properties of the cell-walls are determined from nanoindentation on the wall of the foam. MPM simulations captured the three stages of deformations in foam compression. Features of the microstructures from simulations are compared qualitatively with the in-situ observations of the foam under compression using {micro}-CT. The stress-strain curve simulated from MPM compares reasonably with the experimental results. Based on the results from {micro}-CT and MPM simulations, it was found that elastic buckling of cell-walls occurs even in the elastic regime of compression. Within the elastic region, less than 35% of the cell-wall material carries the majority of the compressive load. In the experiment, a shear band was observed as a result of collapse of cells in a weak zone. From this collapsed weak zone a compaction (collapse) wave was seen traveling which eventually lead to the collapse of the entire foam cell-structure. Overall, this methodology will allow prediction of material properties for microstructures driving the optimization of processing and performance in foam materials.

36 MATERIALS SCIENCE↗
DOE OSTI2011

THE CATALOG OF POSITIONS OF OPTICALLY BRIGHT EXTRAGALACTIC RADIO SOURCES OBRS-1

It is expected that the European Space Agency mission Gaia will make it possible to determine coordinates in the optical domain of more than 500,000 quasars. In 2006, a radio astrometry project was launched with the overall goal of making comparisons between coordinate systems derived from future space-born astrometry instruments and the coordinate system constructed from analysis of global very long baseline interferometry (VLBI) more robust. Investigation of the rotation, zonal errors, and non-alignment of the radio and optical positions caused by both radio and optical structures is needed to validate both techniques. In order to support these studies, the densification of the list of compact extragalactic objects that are bright in both radio and optical ranges is desirable. A set of 105 objects from the list of 398 compact extragalactic radio sources with decl. >-10{sup 0} was observed with the Very Long Baseline Array and European VLBI Network (EVN) with the primary goal of producing images with milliarcsecond resolution. These sources are brighter than 18 mag in the V band, and they were previously detected by the EVN. In this paper, coordinates of observed sources have been derived with milliarcsecond accuracies from analysis of these VLBI observations using an absolute astrometry method. The catalog of positions for 105 target sources is presented. The accuracies of source coordinates are in the range of 0.3-7 mas, with a median of 1.1 mas.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

THE CATALOG OF POSITIONS OF OPTICALLY BRIGHT EXTRAGALACTIC RADIO SOURCES OBRS-2

Future space-borne astrometry missions, such as Gaia, will be able to determine the optical positions of hundreds of quasars with submilliarcsecond accuracies comparable to those achieved in radio by very long baseline interferometry (VLBI). Comparisons of coordinate systems from space-borne missions and VLBI will be very important, first for investigations of possible systematic errors and second for investigations of possible shifts between centroids of radio and optical emissions in active galactic nuclei. In order to make such a comparison more robust, a program for densification of the grid of radio sources detectable with both VLBI and Gaia was launched in 2006. Program sources are 398 quasars with declinations > - 10 Degree-Sign that are brighter than 18 mag at the V band. The first two observing campaigns were run in 2007-2008. In the third campaign, a set of 291 objects from that list was observed with the VLBA+EVN in 2010-2011 with the primary goal of producing their images with milliarcsecond resolution. In this paper, following the method of absolute astrometry, coordinates of observed sources have been derived with milliarcsecond accuracies from analysis of these observations. The catalog of positions of 295 target sources, estimates of their correlated flux densities at 2.2 and 8.4 GHz, and their images are presented. The accuracies of source coordinates are in a range of 2-200 mas, with a median of 3.2 mas.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

PERISTALTIC PUMPING NEAR POST-CORONAL MASS EJECTION SUPRA-ARCADE CURRENT SHEETS

Temperature and density measurements near supra-arcade current sheets suggest that plasma on unreconnected field lines may experience some degree of 'pre-heating' and 'pre-densification' prior to reconnection. Models of patchy reconnection allow for heating and acceleration of plasma along reconnected field lines but do not offer a mechanism for transport of thermal energy across field lines. Here, we present a model in which a reconnected flux tube retracts, deforming the surrounding layer of unreconnected field. The deformation creates constrictions that act as peristaltic pumps, driving plasma flow along affected field lines. Under certain circumstances, these flows lead to shocks that can extend far out into the unreconnected field, altering the plasma properties in the affected region. These findings have direct implications for observations in the solar corona, particularly in regard to such phenomena as high temperatures near current sheets in eruptive solar flares and wakes seen in the form of descending regions of density depletion or supra-arcade downflows.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

The influence of dispersion interactions on the hydrogen adsorption properties of expanded graphite

We demonstrate the importance of London dispersion forces in defining the adsorption capacity within expanded graphite, a simple model of the more complex experimental geometries of activated carbon, using a combination of the non-local correlation functional of Dion et al. paired with a recent exchange functional of Cooper (vdW-DFC09x) and a classical continuum model. Our results indicate that longer ranged interactions due to dispersion forces increase the volume over which molecules interact with a porous medium. This significantly enhances the adsorption density within a material, and explains recent experimental work showing that the densification of H2 in carbon nanopores is sensitive to the pore size. Remarkably, our slit pore geometries give adsorption densities of 3 wt. % at 298 K and 20 MPa which correlates well with experimental values for 9 A pores a value that could not be predicted using (local density approximation) LDA calculations. In its entirety, this work presents a powerful approach for assessing molecular uptake in porous media and may have serious impacts on efforts to optimize the properties of these materials.

Ihm, Yungok↗
DOE OSTI2023

Local structural investigation of non-crystalline materials at high pressure: the case of GeO 2 glass

Abstract Local structures play a crucial role in the structural polyamorphism and novel electronic properties of amorphous materials, but their accurate measurement at high pressure remains a formidable challenge. In this article, we use the local structure of network-forming GeO 2 glass as an example, to present our recent approaches and advances in high-energy x-ray diffraction, high-pressure x-ray absorption fine structure, and ab initio first-principles density functional theory calculations and simulations. Although GeO 2 glass is one of the best studied materials in the field of high pressure research due to its importance in glass theory and geophysical significance, there are still some long-standing puzzles, such as the existence of appreciable distinct fivefold [5] Ge coordination at low pressure and the sixfold-plus [6+] Ge coordination at ultrahigh pressure. Our work sheds light on the origin of pressure-induced polyamorphism of GeO 2 glass, and the [5] Ge polyhedral units may be the dominant species in the densification mechanism of network-forming glasses from tetrahedral to octahedral amorphous structures.

Physics↗