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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

β -delayed charged-particle decay of Si 22 , 23

The β decay of 22,23 Si by emission of delayed charged particles was investigated in an experiment at the Cyclotron Institute of Texas A&M University by means of an optical-readout time-projection chamber. The previously-known decay of the two isotopes by β-delayed one- and two-proton emission was confirmed. Here for the first time, a new, rare, decay mode for 23 Si, β-delayed three-proton emission, was observed and β-delayed proton-α emission tentatively identified. Moreover, the β-decay pattern for the ground state of 23 Si was studied by means of multireference density-functional-rooted calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Machine Intelligence to Detect, Characterise, and Defend against Influence Operations in the Information Environment

Social media has enabled a new era of manipulation in the information and cognitive domains. Deceptive content—misleading, falsified, and fabricated—is routinely created and spread in the modern social media environment with the intent to create confusion and widen political and social divides, and exploit the societal conflict exacerbated by these divides in the real-world (aka physical domain). Such disinformation campaigns demonstrate a threat to the integrity of economic, political, cultural, public health, and national security institutions around the world. In this work we overview our artificial intelligence (AI) capabilities to detect, describe, and defend against information operations on Twitter as an example social platform to understand the influence of misleading and falsified content diffusion and better enable those charged with defending against such manipulation to enable responsive parties to counter it. We first present novel linguistically-informed deep learning (DL) models for misinformation and disinformation detection, and present an in-depth linguistic analysis of psycho-linguistic markers across broad deception categories. We then demonstrate how our models perform in the multilingual and multimodal setting and categorize falsified and misleading content based on the intent to deceive. We also provide a large-scale analysis to describe user behavior and spread patterns while engaging with deceptive content and report novel findings about the immediate diffusion of deceptive content by characterizing the vulnerable sub-populations and their demographics, and explicitly measuring speed and scale of deception spread to uncover who shares deceptive content, how quickly, how much, and how evenly. In addition, we measure audience reactions to misinformation and disinformation at scale, distinguishing the reactions of users identified as bots versus humans. Finally, we take advantage of deep translation and generation models to create unique solutions for real-time defense against digital deception and discuss how to apply causal inference to prescribe and intervene into strategic communications jointly across information, cognitive, and physical domains.

artificial intelligence, deep learning, neural lan↗
DOE OSTI2019

Electron bubbles and the structure of the orbital wave function

Stripelike and bubblelike patterns spontaneously form in numerous physical, chemical, and biological systems when competing long-range and short-range interactions banish uniformity. Stripelike and the related nematic morphology are also under intense scrutiny in various strongly correlated electron systems. In contrast, the electronic bubble morphology is rare. Some of the most intriguing electron bubbles develop in the two-dimensional electron gas subjected to a perpendicular magnetic field. However, in contrast to bubbles forming in classical systems such as the Turing activator-inhibitor reaction or Langmuir films, bubbles in electron gases owe their existence to elementary quantum mechanics: They are stabilized as wave functions of individual electrons overlap. Furthermore, we report a rich pattern of multielectron bubble phases in a high Landau level and we conclude that this richness is due to the nodal structure of the orbital component of the electronic wave function.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Model Study of Blast Furnace Operation with Central Coke Charging

Blast furnace (BF) remains the dominant ironmaking process worldwide. Central coke charging (CCC) operation is a promising technology for stabilizing BF operations, but it needs reliable and quantified process design and control. In this work, a multi-fluid BF model is further developed for quantitatively investigating flow-thermal-chemical phenomena of a BF under CCC operation. This model features the respective chemical reactions in the respective coke and ore layers, and a specific sub-model of layer profile for the burden structure for the CCC operation. The simulation results confirm that the gas flow patterns and cohesive zone’s shape and location under the CCC operation are quite different from the non-CCC operation. Under the CCC operation, the heat is overloaded at the furnace center while the reduction load is much heavier at the periphery regions; the profiles of top gas temperature and gas utilization show bell-shape and inverse-bell-shape patterns, respectively. More importantly, these differences are characterized quantitatively. In this given case, when the CCC opening radius at the throat is 0.35 m, the cohesive zone top opening radius is around 0.50 m, and the isotherms of CCC operation become much steeper (~ 80 deg) than those of non-CCC operation (~ 60 deg) near BF central regions. In addition, it is confirmed that carbon solution-loss reaction rate can be decreased significantly at BF central regions under CCC operation. The model helps to understand CCC operation and provides a cost-effective method for optimizing BF practice.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Wide-Area Thermal Processing of Light-Emitting Materials

Silicon carbide based materials and devices have been successfully exploited for diverse electronic applications. However, they have not achieved the same success as Si technologies due to higher material cost and higher processing temperatures required for device development. Traditionally, SiC is not considered for optoelectronic applications because it has an indirect bandgap. However, AppliCote Associates, LLC has developed a laser-based doping process which enables light emission in SiC through the creation of embedded p-n junctions. AppliCote laser irradiation of silicon carbide allows two different interaction mechanisms: (1) Laser conversion or induced phase transformation which creates carbon rich regions that have conductive properties. These conductive regions are required for interconnection to the light emitting semiconducting region. (2) Laser doping which injects external dopant atoms into the substrate that introduces deep level transition states that emit light when electrically excited. The current collaboration with AppliCote has focused on the evaluation of ORNL's unique Pulse Thermal Processing (PTP) technique as a replacement for laser processing. Compared to laser processing, Pulse Thermal Processing can deliver similar energy intensities (20-50 kW/cm2) over a much larger area (up to 1,000 cm2) at a lower cost and much higher throughput. The main findings of our investigation; which are significant for the realization of SiC based optoelectronic devices, are as follows: (1) The PTP technique is effective in low thermal budget activation of dopants in SiC similar to the laser technique. The surface electrical conductivity of the SiC samples improved by about three orders of magnitude as a result of PTP processing which is significant for charge injection in the devices; (2) The surface composition of the SiC film can be modified by the PTP technique to create a carbon-rich surface (increased local C:Si ratio from 1:1 to 2.9:1). This is significant as higher thermal and electrical conductivities of the surface layer are critical for a successful development of integrated optoelectronic devices; and (3) PTP provides low thermal budget dopant activation with a controlled depth profile, which can be exploited for high performance device development with selective patterning of the substrate. This project has successfully demonstrated that a low thermal budget annealing technique, such as PTP, is critical to defining the path for low cost electronic devices integrated on glass or polymeric substrates. This project is complimentary to the goals of the Solid State Lighting Program within DOE. It involves new manufacturing techniques for light emitting materials that are potentially much lower cost and energy efficient than existing products. Significant opportunity exists for further exploration of AppliCote's material and device technology in combination with ORNL's PTP technique, modeling, and characterization capabilities.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Atomic Layer Deposition for Spatial Control of Redox Reaction Selectivity

Photocatalytic water splitting holds great potential in the pursuit of the U.S. Department of Energy's Hydrogen Shot initiative to bring the cost of H2 to $1/kg by 2031. A key challenge in the development of photocatalysts is increasing their overall solar-to-hydrogen efficiency by enhancing charge separation yields and redox selectivity. In this work, we use area selective ALD of oxide films to develop tunable interphase layers for selective oxidation and reduction reactions on a single substrate. This presentation details initial synthesis and characterization of Pt- and Au-based planar thin film electrodes in which Au regions were deactivated towards ALD growth through self-assembled thiol monolayers. The suppression of TiO2 ALD selectivity of thiols was assessed through ellipsometry, X-ray photoelectron spectroscopy (XPS), and cyclic voltammetry. A patterned planar sample comprised of interdigitated arrays of Au and Pt, used as a surrogate for a photocatalyst particle containing two different co-catalysts, was exposed to ALD growth and removal of the inhibitor species. Scanning electrochemical microscopy (SECM) was used then to probe the local activity of different regions of the patterned surface towards the hydrogen evolution reaction (HER) and iron oxidation and correlated with the ionic and e- blocking effects of the area selective ALD coating. We will also detail the application of these findings to the ongoing development of 3D, particle-based photocatalysts.

atomic layer deposition↗
DOE OSTI2024

The power reliability event simulator tool (PRESTO): A novel approach to distribution system reliability analysis and applications

The growing interest in onsite solar photovoltaic and energy storage systems is partially motivated by customer concerns regarding grid reliability. However, accurately assessing the effectiveness of PVESS in mitigating these interruptions requires a comprehensive understanding of location-specific outage patterns and the ability to simulate realistic scenarios. To address the gap, we introduce the Power Reliability Event Simulation TOol (PRESTO), the first publicly available tool that simulates location-specific power interruptions at the county level. PRESTO allows for a more realistic assessment of system reliability by considering the unpredictability and location-specific patterns of power interruptions. We applied PRESTO in a case study of a single-family home across three U.S. counties, examining the performance of a solar photovoltaic system with 10kWh of battery storage during short-duration power interruptions. Our findings show that this system reliably met 93% of energy demand for essential non-heating and cooling loads, fully serving these loads in 84% of events, despite the constraints of daily time-of-use bill management which limits the battery's state-of-charge reserve. However, when heating and cooling loads were included, system performance decreased significantly, with only 70% of demand met and full service in 43% of events. These results highlight the challenges of using solar photovoltaic and energy storage systems for short-duration outages, emphasizing the need to consider factors like battery size and grid charging strategies to improve reliability. Our study demonstrates the practical applications of PRESTO, providing valuable insights into potential mitigation strategies including grid charging and optimizing battery size.

14 SOLAR ENERGY↗
DOE OSTI2012

Improved Resolution of Hydrocarbon Structures and Constitutional Isomers in Complex Mixtures Using Gas Chromatography-Vacuum Ultraviolet-Mass Spectrometry

Understanding the composition of complex hydrocarbon mixtures is important for environmental studies in a variety of fields, but many prevalent compounds cannot be confidently identified using traditional gas chromatography/mass spectrometry (GC/MS) techniques. In this study, we use vacuum-ultraviolet (VUV) ionization to elucidate the structures of a traditionally “unresolved complex mixture” by separating components by GC retention time, t R , and mass-to-charge ratio, m/z, which are used to determine carbon number, N C , and the number of rings and double bonds, N DBE . Constitutional isomers are resolved on the basis of t R , enabling the most complete quantitative analysis to date of structural isomers in an environmentally relevant hydrocarbon mixture. Unknown compounds are classified in this work by carbon number, degree of saturation, presence of rings, and degree of branching, providing structural constraints. The capabilities of this analysis are explored using diesel fuel, in which constitutional isomer distribution patterns are shown to be reproducible between carbon numbers and follow predictable rules. Nearly half of the aliphatic hydrocarbon mass is shown to be branched, suggesting branching is more important in diesel fuel than previously shown. Lastly, the classification of unknown hydrocarbons and the resolution of constitutional isomers significantly improves resolution capabilities for any complex hydrocarbon mixture.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Oxygen cluster anions revisited: Solvent-mediated dissociation of the core O{sub 4}{sup -} anion

The electronic structure and photochemistry of the O{sub 2n}{sup -}(H{sub 2}O){sub m}, n= 1-6, m= 0-1 cluster anions is investigated at 532 nm using photoelectron imaging and photofragment mass-spectroscopy. The results indicate that both pure oxygen clusters and their hydrated counterparts with n{>=} 2 form an O{sub 4}{sup -} core. Fragmentation of these clusters yields predominantly O{sub 2}{sup -} and O{sub 2}{sup -}{center_dot}H{sub 2}O anionic products, with the addition of O{sub 4}{sup -} fragments for larger parent clusters. The fragment autodetachment patterns observed for O{sub 6}{sup -} and larger O{sub 2n}{sup -} species, as well as some of their hydrated counterparts, indicate that the corresponding O{sub 2}{sup -} fragments are formed in excited vibrational states (v {>=} 4). Yet, surprisingly, the unsolvated O{sub 4}{sup -} anion itself does not show fragment autodetachment at 532 nm. It is hypothesized that the vibrationally excited O{sub 2}{sup -} is formed in the intra-cluster photodissociation of the O{sub 4}{sup -} core anion via a charge-hopping electronic relaxation mechanism mediated by asymmetric solvation of the nascent photofragments: O{sub 4}{sup -}{yields} O{sub 2}{sup -}(X{sup 2}{Pi}{sub g}) + O{sub 2}(a{sup 1}{Delta}{sub g}) {yields} O{sub 2}(X{sup 3}{Sigma}{sub g}{sup -}) + O{sub 2}{sup -}(X{sup 2}{Pi}{sub g}). This process depends on the presence of solvent molecules and leads to vibrationally excited O{sub 2}{sup -}(X{sup 2}{Pi}{sub g}) products.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Variability of Battery Wear in Light Duty Plug-In Electric Vehicles Subject to Ambient Temperature, Battery Size, and Consumer Usage: Preprint

Battery wear in plug-in electric vehicles (PEVs) is a complex function of ambient temperature, battery size, and disparate usage. Simulations capturing varying ambient temperature profiles, battery sizes, and driving patterns are of great value to battery and vehicle manufacturers. A predictive battery wear model developed by the National Renewable Energy Laboratory captures the effects ofmultiple cycling and storage conditions in a representative lithium chemistry. The sensitivity of battery wear rates to ambient conditions, maximum allowable depth-of-discharge, and vehicle miles travelled is explored for two midsize vehicles: a battery electric vehicle (BEV) with a nominal range of 75 mi (121 km) and a plug-in hybrid electric vehicle (PHEV) with a nominal charge-depleting rangeof 40 mi (64 km). Driving distance distributions represent the variability of vehicle use, both vehicle-to-vehicle and day-to-day. Battery wear over an 8-year period was dominated by ambient conditions for the BEV with capacity fade ranging from 19% to 32% while the PHEV was most sensitive to maximum allowable depth-of-discharge with capacity fade ranging from 16% to 24%. The BEV and PHEV werecomparable in terms of petroleum displacement potential after 8 years of service, due to the BEV?s limited utility for accomplishing long trips.

25 ENERGY STORAGE↗
DOE OSTI2023

Loop-current charge density wave driven by long-range Coulomb repulsion on the kagomé lattice

Recent experiments on vanadium-based nonmagnetic kagomé metals A⁢V 3 ⁢Sb 5 ⁢(A=K,Rb,Cs) revealed evidence for possible spontaneous time-reversal symmetry (TRS) breaking in the charge density wave (CDW) ordered state. The long-sought-after quantum order of loop currents has been suggested as a candidate for the TRS breaking state. However, a microscopic model for the emergence of the loop-current CDW due to electronic correlations is still lacking. Here, in this work, we calculate the susceptibility of the real and imaginary bond orders on the kagomé lattice near van Hove filling, and reveal the importance of next-nearest-neighbor Coulomb repulsion V 2 in triggering the instability toward imaginary bond ordered CDW. The concrete effective single-orbital t–V 1 –V 2 model on the kagomé lattice is then studied, where t and V 1 are the hopping and Coulomb repulsion on the nearest-neighbor bonds. We obtain the mean-field ground states, analyze their properties, and determine the phase diagram in the plane spanned by V 1 and V 2 at van Hove filling. The region dominated by V 1 is occupied by a 2⁢a 0 ×2⁢a 0 real CDW insulator with the inverse of Star-of-David (ISD) bond configuration. Increasing V 2 indeed drives a first-order transition from ISD to stabilized loop-current insulators that exhibit four possible current patterns of different topological properties, leading to orbital Chern insulators. We then extend these results away from van Hove filling and show that electron doping helps the stabilization of loop currents, and gives rise to doped orbital Chern insulators with emergent Chern Fermi pockets carrying large Berry curvature and orbital magnetic moment. Our findings provide a concrete model realization of the loop-current Chern metal at the mean-field level for the TRS breaking normal state of the kagomé superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Effect of anodisation time and thermal treatment temperature on the structural and photoelectrochemical properties of TiO{sub 2} nanotubes

In this work we study the influence of anodisation time and thermal treatment temperature on the morphological, optical, structural and photoelectrochemical properties of highly ordered TiO{sub 2} nanotubes. X-ray diffractometry and Rietveld refinement show that up to 600 °C, the free standing nanotubes present only the anatase phase, while the diffraction patterns of the nanotubes attached to the surface reveal the formation of a rutile barrier layer. Electrochemical impedance spectroscopy shows that TiO{sub 2} nanotubes thermally treated at 400 °C present smaller impedance while the nanotubes treated at 600 °C presented high impedance, and a second semi-circle in the Nyquist plot suggests the formation a second path for the carriers. The results show that improved photoelectrochemical performance is dependent on a balance between maximum absorbance maximum crystallinity (in the anatase phase) and a minimum impedance to charge transport. - Graphical abstract: Improving photoelectrochemical activity of TiO{sub 2} nanotubes: a balance between high absorbance and crystallinity and low series resistance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Effect of the grain arrangements on the thermal stability of polycrystalline nickel-rich lithium-based battery cathodes

One of the most challenging aspects of developing high-energy lithium-based batteries is the structural and (electro)chemical stability of Ni-rich active cathode materials at thermally-abused and prolonged cell cycling conditions. Here, we report in situ physicochemical characterizations to improve the fundamental understanding of the degradation mechanism of charged polycrystalline Ni-rich cathodes at elevated temperatures (e.g., ≥ 40 °C). Using multiple microscopy, scattering, thermal, and electrochemical probes, we decouple the major contributors for the thermal instability from intertwined factors. Our research work demonstrates that the grain microstructures play an essential role in the thermal stability of polycrystalline lithium-based positive battery electrodes. We also show that the oxygen release, a crucial process during battery thermal runaway, can be regulated by engineering grain arrangements. Furthermore, the grain arrangements can also modulate the macroscopic crystallographic transformation pattern and oxygen diffusion length in layered oxide cathode materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Structure of diopside, enstatite, and magnesium aluminosilicate glasses: A joint approach using neutron and x-ray diffraction and solid-state NMR

Neutron diffraction with magnesium isotope substitution, high energy x-ray diffraction, and 29 Si, 27 Al, and 25 Mg solid-state nuclear magnetic resonance (NMR) spectroscopy were used to measure the structure of glassy diopside (CaMgSi 2 O 6 ), enstatite (MgSiO 3 ), and four (MgO) x (Al 2 O 3 ) y (SiO 2 ) 1–x–y glasses, with x = 0.375 or 0.25 along the 50 mol. % silica tie-line (1 – x – y = 0.5) or with x = 0.3 or 0.2 along the 60 mol. % silica tie-line (1 – x – y = 0.6). The bound coherent neutron scattering length of the isotope 25 Mg was remeasured, and the value of 3.720(12) fm was obtained from a Rietveld refinement of the powder diffraction patterns measured for crystalline 25 MgO. The diffraction results for the glasses show a broad asymmetric distribution of Mg–O nearest-neighbors with a coordination number of 4.40(4) and 4.46(4) for the diopside and enstatite glasses, respectively. As magnesia is replaced by alumina along a tie-line with 50 or 60 mol. % silica, the Mg–O coordination number increases with the weighted bond distance as less Mg 2+ ions adopt a network-modifying role and more of these ions adopt a predominantly charge-compensating role. 25 Mg magic angle spinning (MAS) NMR results could not resolve the different coordination environments of Mg 2+ under the employed field strength (14.1 T) and spinning rate (20 kHz). The results emphasize the power of neutron diffraction with isotope substitution to provide unambiguous site-specific information on the coordination environment of magnesium in disordered materials.

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

Electrical and thermal properties of polycrystalline Si thin films with phononic crystal nanopatterning for thermoelectric applications

Electrical and thermal properties of polycrystalline Si thin films with two-dimensional phononic patterning were investigated at room temperature. Electrical and thermal conductivities for the phononic crystal nanostructures with a variety of radii of the circular holes were measured to systematically investigate the impact of the nanopatterning. The concept of phonon-glass and electron-crystal is valid in the investigated electron and phonon transport systems with the neck size of 80 nm. The thermal conductivity is more sensitive than the electrical conductivity to the nanopatterning due to the longer mean free path of the thermal phonons than that of the charge carriers. The values of the figure of merit ZT were 0.065 and 0.035, and the enhancement factors were 2 and 4 for the p-doped and n-doped phononic crystals compared to the unpatterned thin films, respectively, when the characteristic size of the phononic crystal nanostructure is below 100 nm. The greater enhancement factor of ZT for the n-doped sample seems to result from the strong phonon scattering by heavy phosphorus atoms at the grain boundaries.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Droplet and Particle Methods to Investigate Turbulent Particle Laden Jets

The SARS-CoV-2 pandemic has heightened the interest in particle-laden turbulent jets generated by breathing, talking, coughing and sneezing, and how these can contribute to disease transmission. We present quantitative measurement methods for such flows, while exploring and offering improvements for common shortcomings. We generate jets consisting of either liquid droplets or solid particles in an isothermal, quiescent and electrically isopotential experimental chamber that was constructed to control the effects of ambient forcing on jet behavior. For liquid droplets, we find promise in surface deposition analysis based on fluorescent tracer use. For particles, we explore the performance of commercially available adhesive sampling strips and develop conductive grounded carbon tape based sampling strips. We explore ways in which the smallest of thermal gradients or electrostatic charge issues can affect particle dispersion, and suggest practical methods to address these issues. The developed methods are applied to study the simultaneous deposition of (Formula presented.) 25, 50 and 200 μm solid particles from a particle laden turbulent jet with a mean velocity of 33.2 m/s. The deposition location as a function of particle size was compared to results from a simple numerical RANS model, and illustrates ways in which imprecise initial or boundary conditions can lead to a notable deviation from experimental results. The differences in deposition pattern seen in experimental and numerical results despite a carefully controlled environment and characterized particle ejection indicate the need for a more stringent numerical model validation, especially when studying fate and transport of mid-range (neither purely aerosol or ballistic) sized particles.

42 ENGINEERING↗
DOE OSTI2023

Alternative Fuel Vehicle Usage and Owner Demographics in New York State

With mounting concerns over climate change and the environmental impact of fossil fuels, the United States has witnessed a growing interest in alternative fuel vehicles (AFVs). In 2021, approximately 1.5 million battery EVs (BEVs), 0.8 million plug-in hybrid EVs (PHEVs), and 5.5 million hybrid EVs (HEVs) were registered in the United States. In the state of New York, a total of 51,900 BEVs, 44,600 PHEVs, and 221,600 HEVs were registered in 2021. The current report presents the results of an analysis of AFV adoption patterns in New York State and the rest of the United States based on data from the 2017 National Household Travel Survey (NHTS). Overall, the report reveals the demographics and mobility factors (e.g., household income, homeownership, and trip length) that contribute to the adoption of AFVs. This study provides insights that can inform policy decisions aimed at promoting sustainable transportation solutions.The 2017 NHTS data showed that the percentage of households owning at least one AFV is lower in New York City compared with that in other regions of New York State. From the NHTS samples, of the 25 households that owned at least one BEV in New York State, 15 households (60%) lived within a 5-mile radius, based on the great circle distance, of the nearest charging station, and 23 households (92%) lived within a 10-mile radius of the nearest charging station. Furthermore, among the 40 households in New York State that own at least one PHEV, 48% (19 households) lived within a 5-mile radius of the closest EV charging station, and 83% (33 households) lived within a 10-mile radius of the nearest charging station. The rest of the United States had a higher percentage of households that own at least one AFV compared with that of New York State. A comparison was made between EV adoption levels using NHTS and EValuateNY, which is a tool that gathers statistics on the electric car market in New York State. The estimates obtained from New York State household samples in NHTS were slightly lower than the data provided by EValuateNY. In New York State and the rest of the United States, households with higher incomes tended to have a higher proportion of AFV ownership compared with those with lower incomes. For example, households in New York State earning $\$ $150,000 or more had an approximately 6% share of owning at least one AFV, which was markedly higher than those earning less than $\$ $100,000 (less than 3%). Additionally, homeowners in New York State and the rest of the United States also exhibited a significantly higher share of AFV ownership compared with that of renters. In New York State, households that own at least one AFV tended to travel farther and had longer travel times compared with their counterparts without an AFV. In terms of households with at least one AFV, households with HEVs tended to have more person trips, longer person miles of travel, and more vehicle miles traveled, resulting in longer travel times than that of households with BEVs or PHEVs. Notably, households with AFVs had a slightly lower share of family and personal business trips but a higher share of social and recreational trips compared with households without AFVs. Additionally, households with at least one AFV tended to have a slightly higher share of walking trips than their counterparts without an AFV. However, the comparisons were not statistically significant. These travel patterns observed in New York State were consistent with those observed in other regions of the United States.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2012

Structure-property correlation in epitaxial (2 0 0) rutile films on sapphire substrates

We have investigated the influence of the deposition variables on photocatalytic properties of epitaxial rutile films. Despite a large lattice misfit of rutile with sapphire substrate, (2 0 0) epitaxial layers were grown on (0 0 0 1)sapphire by domain matching epitaxy paradigm. Using {phi}-scan XRD and cross section TEM, the epitaxial relationship was determined to be rutile(1 0 0)||sapphire(0 0 0 1), rutile(0 0 1)||sapphire(1 0 -1 0), and rutile(0 1 0)||sapphire(1 -2 1 0). Based on the XRD patterns, increasing the repetition rate introduced tensile stress along the film normal direction, which may arise as a result of trapped defects. Formation of such defects was studied by UV-VIS, PL, and XPS techniques. AFM studies showed that the film roughness increases with the repetition rate. Finally, photocatalytic performance of the layers was investigated through measuring decomposition rate of 4-chlorophenol on the films surface. The films grown at higher frequencies revealed higher photocatalytic efficiency. This behavior was mainly related to formation of point defects which enhance the charge separation. - Graphical abstract: In this report, epitaxial rutile TiO{sub 2} thin films were deposited by PLD process under various deposition rates (frequencies) and their physical and chemical properties, especially photocatalytic performance, were investigated. It was found that photocatalytic efficiency improves when frequency increases. This behavior was mainly related to formation of point defects which enhance the charge separation. Highlights: Black-Right-Pointing-Pointer Rutile epitaxial thin films were deposited via PLD process under different frequencies. Black-Right-Pointing-Pointer Defect characteristic was studied. Black-Right-Pointing-Pointer Photocatalytic performance of the layers was investigated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗