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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Investigation of gate leakage mechanism in Al{sub 2}O{sub 3}/Al{sub 0.55}Ga{sub 0.45}N/GaN metal-oxide-semiconductor high-electron-mobility transistors

The mechanism of both reverse and forward gate leakage currents in Al{sub 2}O{sub 3}/Al{sub 0.55}Ga{sub 0.45}N/GaN structures was studied in this Letter by temperature-dependent current-voltage measurement. Poole–Frenkel (PF) emission, an oxygen vacancy-assisted process, was deduced as the dominant mechanism at high-temperatures (>388 K), and the leakage current at mid-temperatures (<388 K) were found greatly impacted by temperature-independent tunneling current. The reverse PF mission current in low-field, mid-field, and high-field region were related to trap states with activation energy of 0.41 eV, 0.49 eV, and 0.71 eV, respectively, and the activation energy of trap states for forward PF emission current was derived as 0.65 eV.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Lithium ionic mobility study in xLi{sub 2}CO{sub 3}-yLiI (x = 95-70, y = 5-30 wt.%) solid electrolyte by impedance spectroscopy technique

A detailed systematic study on the effects of different amount (wt.%) of LiI addition on the electrical conductivity and dielectric behavior of the xLi{sub 2}CO{sub 3}-xLiI (x = 95-70, y = 5-30 wt.%) electrolyte system was carried out. The samples with different compositions were prepared and ground by mechanical milling method. The electrical and dielectric properties of the samples over a range of frequency (50Hz – 1MHz) were investigated by deploying electrical impedance spectroscopy (EIS) technique in a series of temperature set (298–373K). Normally, Li{sub 2}CO{sub 3} itself shows a very low electrical conductivity (10{sup −5} Scm{sup −1}). However, the electrical conductivity of the system was found to be increased (10{sup −3} Scm{sup −1}) as the lithium salt (LiI) were introduced to the system. The dielectric analysis displayed that the activation energy was inversely proportional to the increment of LiI (wt.%). As the electrical conductivity reached their maximum value (4.63 × 10{sup −3} Scm{sup −1}) at the 20 wt.% of LiI, the activation energy was dropped to the minimum (0.1 eV). The electrical conductivity increases with the temperature (298 – 373K) indicate that the system obeys Arrhenius law.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Influence of measurement temperature on the luminescence properties of (113) defects in oxygen-implanted silicon

Influence of the measurement temperature in the range 5–130 K on the photoluminescence spectra of (113) defects in Si implanted with 350-keV oxygen ions at doses of 3.7 × 10{sup 14} cm{sup –2} and annealed at a temperature of 700°C for 1 h in a chlorine-containing atmosphere is studied. The temperature dependence of the line intensity is characterized by portions of intensity increase with an activation energy of 23.1 meV and intensity quenching with activation energies of 41.9 and 178.3 meV. With increasing temperature, the lines are shifted to longer wavelengths and their FWHM increases.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Support for Recognition of Women and for Activities for Women in Mathematical Sciences at National Meetings

The Association for Women in Mathematics (AWM) seeks to advance the rates of participation by women in events at national mathematical sciences conference primarily in the U.S. The grant was funded from 8/1/2007 through 3/31/2015. The first component is the lecture series (Noether, Kovalevsky and Falconer Lectures) named after celebrated mathematicians, and featuring prominent women mathematicians, with the result that men, as well as women, will learn about the achievements of women in the mathematical sciences. 22 women mathematicians gave lectures at the annual JMM, SIAM Annual Meetings, and the MAA MathFest. The second component is AWM’s “Workshops for Women Graduate Students and Recent PhDs,” which select junior women to give research talks and research poster presentations at the SIAM Annual Meeting. The workshop activities allow wider recruitment of participants and increased attention to mentoring. 122 women gave mathematics research presentations. The third component is the AWM’s 40th Anniversary Research Symposium, 2011. 300 women and men attended the two-day symposium with 135 women presenting mathematics research. These activities have succeeded in increasing the number of women speakers and presenters at meetings and have brought more women attendees to the meetings.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2011

Regeneration of field-spent activated carbon catalysts for low-temperature selective catalytic reduction of NOx with NH3

In the process of producing liquid crystal displays (LCD), the emitted NOx is removed over an activated carbon catalyst by using selective catalytic reduction (SCR) with NH3 at low temperature. However, the catalyst rapidly deactivates primarily due to the deposition of boron discharged from the process onto the catalyst. Therefore, this study is aimed at developing an optimal regeneration process to remove boron from field-spent carbon catalysts. The spent carbon catalysts were regenerated by washing with a surfactant followed by drying and calcination. The physicochemical properties before and after the regeneration were investigated by using elemental analysis, TG/DTG (thermogravimetric/differential thermogravimetric) analysis, N2 adsorption-desorption and NH3 TPD (temperature programmed desorption). Spent carbon catalysts demonstrated a drastic decrease in DeNOx activity mainly due to heavy deposition of boron. Boron was accumulated to depths of about 50 {mu}m inside the granule surface of the activated carbons, as evidenced by cross-sectional SEM-EDX analysis. However, catalyst activity and surface area were significantly recovered by removing boron in the regeneration process, and the highest NOx conversions were obtained after washing with a non-ionic surfactant in H2O at 70 C, followed by treatment with N2 at 550 C.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2011

Na27Ru14O48: A New Mixed-valence Sodium Ruthenate with Magnetic Heptameric Plaquettes

Na{sub 27}Ru{sub 14}O{sub 48} has been synthesized in air at 700 C. The composition and crystal structure of the phase were determined by single crystal X-ray diffraction. The triclinic crystal structure contains isolated planar Ru{sub 7}O{sub 24} plaquettes made from seven edge-sharing RuO{sub 6} octahedra. The complex Na:Ru ratio is a result of tilting of the plaquettes to disrupt the packing of nominally hexagonal close packed planes made of Na ions and RuO{sub 6} octrahedra. Resistivity measurements show that the material is semiconducting with an activation energy of 0.53 eV. The observed magnetic moment of 3.11 {micro}{sub B} per Ru is lower than the expected spin only value, but is within the range seen in other compounds and is too large to indicate that the fundamental magnetic entities are the isolated Ru{sub 7}O{sub 24} plaquettes. Small, reproducible deviations in the Curie-Weiss behavior occur below 200 K and the onset of a broad magnetic transition is seen between 40 and 32 K.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2011

Thematic Design: My Story is Better When Your Story is Better

What does a well-designed thematic workshop look like? Walking into a presentation at a convention center or at a NASA center, one might see formal and informal educators receiving space science content from knowledgeable science experts, actively participating in topic-related activities, questioning, collaborating, and investigating, connecting topics and content to their education needs, and having fun. But what is really going on, and what did it take to get to this point-the point of delivery. This is an opportunity to share experience and knowledge pertaining to designing and conducting space science thematic workshops and trainings. It is an attempt to describe the thematic approach to space science education that has been demonstrated in Solar System Exploration Education Forum workshops over many years and to articulate the best practices pertain-ing to designing and presenting those workshops.

Tobola, Kay↗
DOE OSTI2011

Implementation of New TPD Analysis Techniques in the Evaluation of Second Order Desorption Kinetics of Cyanogen from Cu(001)

The interactions of cyanide species with a copper (001) surface were studied with temperature programmed desorption (TPD) and X-ray photoelectron spectroscopy (XPS). Adsorbed cyanide species (CN{sub (a)}) undergo recombinative desorption evolving molecular cyanogen (C{sub 2}N{sub 2}). As the adsorbed CN species charge upon adsorption, mutually repulsive dipolar interactions lead to a marked desorption energy reduction with increasing CN{sub (a)} coverages. Two new TPD analysis approaches were developed, which used only accurately discernible observables and which do not assume constant desorption energies, E{sub d}, and pre-exponential values, v. These two approaches demonstrated a linear variation of E{sub d} with instantaneous coverage. The first approach involved an analysis of the variations of desorption peak asymmetry with initial CN coverages. The second quantitative approach utilized only temperatures and intensities of TPD peaks, together with deduced surface coverages at the peak maxima, also as a function of initial surface coverages. Parameters derived from the latter approach were utilized as initial inputs for a comprehensive curve fit analysis technique. Excellent fits for all experimental desorption curves were produced in simulations. The curve fit analysis confirms that the activation energy of desorption of 170-180 kJ/mol at low coverage decreases by up to 14-15 kJ/mol at CN saturation.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Influences and Interactions of Inundation, Peat, and Snow on Active Layer Thickness: Modeling Archive

The Advanced Terrestrial Simulator was used to simulate thermal hydrological conditions across varied environmental conditions for an ensemble of 1D models of Arctic permafrost. The thickness of organic soil is varied from 2 to 40cm, snow depth is varied from approximately 0 to 1.2 meters, water table depth was varied from -51cm below the soil surface to 31 cm above the soil surface. A total of 15,960 ensemble members are included. Data produced includes the third and fourth simulation year: active layer thickness, time of deepest thaw depth, temperature of the unfrozen soil, and unfrozen liquid saturation, for each ensemble member. Input files used to run the ensemble are also included. File formats in the data package: .py, .h5, .xml, .exo, .txt, and .pdf.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research.The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska.Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Separation of Phosphorus and Manganese from Steelmaking Slag by Selective Reduction

Steelmaking slag contains considerable amount of manganese (Mn) and phosphorus (P), and recycling them is an important issue. Since Mn is an alloy added to enhance the steel quality, while P is a harmful impurity in the steel product, they need to be separated for recycling. We have already found the possibility of separating Mn and P from steelmaking slag by selectively reducing P{sub 2}O{sub 5} and FeO while suppressing the reduction of MnO. As a fundamental study for the selective reduction of P from steelmaking slag, in this study, we vary the slag basicity, graphite mixing ratio, temperature, and crucible type to find the optimum condition. Artificial steelmaking slag with various compositions is synthesized and mixed with graphite powder in an Al{sub 2}O{sub 3} or a MgO crucible. The reduction is conducted at 1673 K, 1773 K, and 1873 K for 20 to 80 minutes. As a result, carbon saturated metal is formed from the slag, and the reduced metal and slag were separated easily. We find that a decrease in slag basicity suppressed the reduction rate of Mn while enhancing that of P. The activation energy for the reduction rate constant of P is found to be close to that of the diffusion of P in slag.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Atomistic modeling of surface and grain boundary dislocation nucleation in FCC metals

Dislocation nucleation plays a critical role in the plastic deformation of crystalline materials. However, it is challenging to predict the active mode and associated rate of dislocation nucleation under typical experimental loading conditions through molecular dynamics simulation due to timescale limitations. In this report we use the free-end nudged elastic band method to determine the activation energies and activation volumes of dislocation nucleation in four typical face-centered cubic metals of Au, Al, Cu and Ni. We focus on the representative processes of surface and grain boundary dislocation nucleation. The atomistically determined activation volumes of these dislocation nucleation processes are larger than 10b3 (with b being the Burgers vector length) under typical experimental loading conditions. These results are compared with experimentally measured activation volumes in ultrafine-grained and nanocrystalline metals, thereby providing mechanistic insight into their rate-controlling deformation mechanisms.

36 MATERIALS SCIENCE↗
DOE OSTI2018

High-temperature deformation behavior and microstructural characterization of high-Mn bearing titanium-based alloy

Highlights: • The hot deformation behavior of a biomedical low-cost Ti-10Mn alloys was studied. • The flow curves of the alloy display periodic serrations attributed to dynamic strain aging. • Mn alloying increases the activation energy to 243 kJ/mol compared to pure Ti. • The dynamic recovery is more effective than dynamic recrystallization at hot deformation. - Abstract: Ti-Mn alloys exhibit an excellent potential for biomedical applications as well as structural engineering applications, especially in the aerospace industry. In order to control and enhance grain structure during the manufacturing of Ti-Mn alloys and thereby help to enhance mechanical properties such as strength and toughness, we studied the hot-deformation behavior of βTi-10Mn alloys. Isothermal compression tests were conducted in the strain rate range of 0.01–10 s{sup −1} and temperatures in the range of 850–1000 °C using a Gleeble thermomechanical simulator. High-temperature flow stress curves exhibited discontinuous yielding and pronounced periodic serrations without any strain hardening during compression straining of these alloys. Such peculiar behavior of this alloy is due to active dynamic strain aging in its β-bcc structure. Metallographic observations by electron-backscattered diffraction (EBSD) analysis revealed that dynamic recovery (DRV) is more active than continuous dynamic recrystallization (CDRX) when the alloy is deformed at high strain rates, i.e. higher than 1 s{sup −1}. Furthermore, the constitutive behavior of the alloy was modeled and the apparent hot-deformation activation energy of the alloy was estimated to be 243 kJ/mol, which is ~60% higher than the self-diffusion energy in pure titanium.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Effects of diethanolamine on sol–gel–processed Cu{sub 2}ZnSnS{sub 4} photovoltaic absorber thin films

Highlights: • DEA content significantly affected the crystal structure and the phase purity. • The films’ crystallite sizes increased with increasing DEA content. • Two different impurity levels were found for each film via R-T characteristics. • Under different illuminations, the n-Si/CZTS exhibited good photo-response. • The light on/off current ratios confirmed the photo-sensitivity of the junction. - Abstract: As a promising solar absorber, the Cu{sub 2}ZnSnS{sub 4} compound has been popular recently for the production of green and economical thin-film solar cells owing to the abundancy and non-toxicity of all the constituents. In this study, we have produced Cu{sub 2}ZnSnS{sub 4} films via the sol–gel technique. As a stabilizer, the effects of the diethanolamine on the properties of the films were investigated. The amount of diethanolamine significantly affected the crystal structure, crystallite sizes and phase purity of the films. X-ray diffraction and Raman spectroscopy analyses confirmed the formation of phase-pure CZTS films. It was found that the film produced by using 2 ml of diethanolamine in sol exhibited pure CZTS phase, compact and dense morphology and enhanced photo-sensitivity. Light on/off current ratio of the n-Si/Cu{sub 2}ZnSnS{sub 4} junction was found to be 47 under 100 mW/cm{sup 2} of illumination. Electrical activation energies of the films were investigated and the variations were attributed to delocalized phonon states generating from the presence of other phases and lattice defects.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Spark Plasma Sintering of high-density fine-grained Y2.5Nd0.5Al5O12+SiC composite ceramics

Highlights: • YAG + (10, 20) wt.% α-SiC high-density ceramics obtained by SPS. • YAG + α-SiC ceramics have a more fine-grained structure than pure garnet. • The optimal sintering temperature of YAG + SiC ceramics is lower than that of garnet. • Introduction of α-SiC particles creates internal stress fields in garnet. • Introduction of α-SiC particles results in lower sintering activation energy of garnet. - Abstract: Spark Plasma Sintering (SPS) has been used to produce samples of fine-grained composites Y{sub 2.5}Nd{sub 0.5}Al{sub 5}O{sub 12} + x wt.% α-SiC (x = 1020) with ∼98–99% density. The microstructure of the composites has been studied, as well as the impact of α-SiC particles on the mechanical properties and kinetics of composite sintering. The introduction of the α-SiC part has been demonstrated to form a more fine-grained structure and under the given SPS conditions change the sintering mechanism in ceramics. The study has also demonstrated that introduction of α-SiC particles into garnet results in formation of internal stress fields, which, in turn, leads to a decrease in the activation energy of sintering of fine-grained composites at high temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Lifetime of excess electrons in Cu–Zn–Sn–Se powders

The method of time-resolved microwave photoconductivity at a frequency of 36 GHz in the range of temperatures of 200–300 K is used to study the kinetics of the annihilation of charge carriers in Cu–Zn–Sn–Se powders obtained by the solid-phase method of synthesis in cells. The lifetime of excess electrons at room temperature is found to be shorter than 5 ns. The activation energy for the process of recombination amounted to E{sub a} ~ 0.054 eV.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Variation in Morphology and Kinetics of Granular Bainite with Welding Thermal Cycles in High-Nb Fire-Resistant Steel: Experiments and Theoretical Calculations

The microstructure and kinetics of granular bainite (GB) were investigated in novel fire-resistant steel containing high niobium and subjected to simulated welding thermal cycles. The dilatometric data were analyzed to determine the activation energy and Avrami exponents. It was observed that austenite transformed to GB over a wide range cooling rates of 0.5-100 K/s. Theoretical calculations indicated that Avrami exponent (n) decreased with increased transformed volume fraction (f{sub b}) and cooling rate. At a moderate cooling rate of 20-6 K/s, bainitic ferrite as sheaves formed from austenite and the corresponding Avrami exponent was 2 < n < 3. Martensite in martensite/austenite constituent formed with Avrami exponent n ~ 1. At the fastest cooling rate of 50 K/s, lath bainitic ferrite and film-like retained austenite (RA) were obtained with the corresponding Avrami exponent n ~ 1. At lower cooling of 1 and 0.5 K/s, plate-like bainitic ferrite and block-like microphase composed of lamellar RA and ferrite were obtained with Avrami exponent n > 3. The local activation energy for austenite transformation to bainitic ferrite decreased from ~ 198 to ~ 182 kJ/mol with increasing f{sub b} from 0.05 to 0.95, while the local activation energy for austenite transformation to martensite decreased from ~ 80 to ~ 71 kJ/mol with increasing f{sub b} from 0.05 to 0.95.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Electrical properties of niobium doped barium bismuth-titanate ceramics

Highlights: ► Pure and doped BaBi{sub 4}Ti{sub 4}O{sub 15} were prepared via the solid-state reaction method. ► The grain size was suppressed in Nb-doped samples. ► The diffuseness of the dielectric peak increased with dopant concentration. ► Niobium affected on relaxor behavior of barium bismuth titanate ceramics. ► The conductivity change was noticed in doped samples. -- Abstract: BaBi{sub 4}Ti{sub 4–5/4x}Nb{sub x}O{sub 15} (BBNTx, x = 0, 0.05, 0.15, 0.30) ceramics have been prepared by solid state method. XRD data indicate the formation of single-phase-layered perovskites for all compositions. SEM micrographs suggest that the grain size decreases with Nb doping. The effect of niobium doping on the dielectric and relaxor behavior of BaBi{sub 4}Ti{sub 4}O{sub 15} ceramics was investigated in a wide range of temperatures (20–777 °C) and frequencies (1.21 kHz to 1 MHz). Nb doping influences T{sub c} decrease as well as the decrease of dielectric permittivity at Curie temperature. At room temperature, undoped BaBi{sub 4}Ti{sub 4}O{sub 15} exhibits dielectric constant of ∼204 at 100 kHz, that slightly increases with Nb doping. The conductivity of BBNT5 ceramics is found to be lower than that of other investigated compositions. The value of activation energy of σ{sub DC} was found to be 0.89 eV, 1.01 eV, 0.93 eV and 0.71 eV for BBT, BBNT5, BBNT15 and BBNT30, respectively.

36 MATERIALS SCIENCE↗