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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

A conversion model of graphite to ultrananocrystalline diamond via laser processing at ambient temperature and normal pressure

The synthesis mechanism of ultrananocrystalline diamond via laser shock processing of graphite suspension was presented at room temperature and normal pressure, which yielded the ultrananocrystalline diamond in size of about 5 nm. X-ray diffraction, high-resolution transmission electron microscopy, and laser Raman spectroscopy were used to characterize the nano-crystals. The transformation model and growth restriction mechanism of high power density with short-pulsed laser shocking of graphite particles in liquid was put forward.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Glass-bonded iodosodalite waste form for immobilization of 129I

Immobilization of radioiodine (e.g., 129I, 131I) is an important need for current and future nuclear fuel cycles. For the current work, iodosodalite [Na8(AlSiO4)6I2] was synthesized hydrothermally from metakaolin, NaI, and NaOH. Following hydrothermal treatment, dried unwashed powders were used to make glass-bonded iodosodalite waste forms by heating pressed pellets at 650, 750, or 850 °C with two different types of sodium borosilicate glass binders, i.e., NBS-4 and SA-800. These heat-treated specimens were characterized with X-ray diffraction, Fourier-transform infrared spectroscopy, scanning electron microscopy, energy dispersive spectroscopy, thermal analysis, porosity and density measurements, neutron activation analysis, and inductively-coupled plasma mass spectrometry. The pellets mixed with 10 mass% of NBS-4 or SA-800 and heat-treated at 750 °C contained relatively high percentage iodine retention (~44-47 % of the maximum iodine loading) with relatively low porosities, while other pellets with higher percentages iodine retention either contained higher porosity or were not completely sintered. ASTM C1308 chemical durability tests of monolithic specimens showed a large initial release of Na, Al, Si, and I on the first day, possibly from water-soluble salt crystals or non-durable amorphous phases. Release rates of Na and Si were higher than for Al and I, probably due to a poorly durable Na-Si-O phase from the glass bonding matrix. The cumulative normalized release of iodine was 12.5 g m-2 for the first 10 1-d exchanges, suggestive of coherent dissolution. The average release rate from 10-24 days during the 7-d exchange intervals was 0.2336 g m-2 d-1.

sodalite, iodosodalite, waste forms, iodine↗
DOE OSTI2024

Diagonalizing the Born–Oppenheimer Hamiltonian via Moyal perturbation theory, nonadiabatic corrections, and translational degrees of freedom

This article describes a method for calculating higher order or nonadiabatic corrections in Born–Oppenheimer theory and its interaction with the translational degrees of freedom. The method uses the Wigner–Weyl correspondence to map nuclear operators into functions on the classical phase space and the Moyal star product to represent operator multiplication on those functions. These are explained in the body of the paper. The result is a power series in κ 2 , where κ = (m/M)1/4 is the usual Born–Oppenheimer parameter. The lowest order term is the usual Born–Oppenheimer approximation, while higher order terms are nonadiabatic corrections. These are needed in calculations of electronic currents, momenta, and densities. The separation of nuclear and electronic degrees of freedom takes place in the context of the exact symmetries (for an isolated molecule) of translations and rotations, and these, especially translations, are explicitly incorporated into our discussion. This article presents an independent derivation of the Moyal expansion in molecular Born–Oppenheimer theory. Here, we show how electronic currents and momenta can be calculated within the framework of Moyal perturbation theory; we derive the transformation laws of the electronic Hamiltonian, the electronic eigenstates, and the derivative couplings under translations; we discuss in detail the rectilinear motion of the molecular center of mass in the Born–Oppenheimer representation; and we show how the elimination of the translational components of the derivative couplings leads to a unitary transformation that has the effect of exactly separating the translational degrees of freedom.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1992

Phase transformations in 40-60-GPa shocked gneisses from the Haughton Crater (Canada): An Analytical Transmission Electron Microscopy (ATEM) study

In order to better understand phase transformations, chemical migration, and isotopic disequilibrium in highly shocked rocks, we have performed a microprobe and an ATEM study on gneisses shocked up to 60 GPa from the Haughton Crater. This study reveals the following chemical and structural characteristics: (1) SiO2 dominant areas are formed by a mixture of pure SiO2 polycrystalline quartz identified by electron diffraction pattern and chemical analysis and a silica-rich amorphous phase containing minor amounts of aluminium, potassium, and iron; (2) Areas with biotitelike composition are formed by less than 200-nm grains of iron-rich spinels embedded in a silica-rich amorphous phase that is very similar to the one described above; (3) Layers with feldsparlike composition are constituted by 100-200-nm-sized alumina-rich grains (the indexation of the crystalline structure is under progress) and the silica-rich amorphous phase; (4) Zones characterized by the unusual Al/Si ratio close to 1 are formed by spinel grains (200-nm-sized) embedded in the same silica-rich amorphous phase; and (5) The fracturated sillimanites contain domains with a lamellar structure, defined by the intercalation of 100-nm-wide lamellae of mullite crystals and of a silica-rich amorphous phase. These mullite crystals preserved the crystallographical orientation of the preshock sillimanite. All compositional domains, identified at the microprobe scale, can thus be explained by a mixture in different proportion between the following phases: (1) a silica-rich amorphous phase, with minor Al and K; (2) quartz crystals; (3) spinel crystals and alumina-rich crystals; (4) sillimanite; and (5) mullite. Such mixtures of amorphous phases and crystals in different proportions explain disturbed isotope systems in these rocks and chemical heterogeneities observed on the microprobe.

Martinez, I.↗
DOE OSTI2019

Concentration-Dependent Transformation Plasticity Effect During Hydrogenation of Technically Pure Titanium Irradiated with an Electron Beam

Using the methods of X-ray diffraction analysis, the concentration-dependent transformation plasticity effect +TPE) is investigated during hydrogenation of the technically pure titanium (VT1-0) irradiated on one side with a low-energy high-current electron beam in a SOLO facility using three 50 μs pulses at the pulse repetition frequency 0.3 s{sup –1} and the beam energy density W = 18 J/cm{sup 2}. Its irradiation is performed in an argon atmosphere at the residual pressure 0.02 Pa. It is found out that the concentration-dependent TPE in the course of hydrogenation is due to the low stability state of the α-Ti crystal lattice formed in the specimen surface layer upon its e-beam irradiation. Relaxation of the elastic plane macrostresses occurs as a result of the development of concentration inhomogeneity of hydrogen or formation of α″-Ti and ω-Ti martensitic phases.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Structural and Magnetic Characteristics of Ferroxplana Co{sub 2}Y Nanoferrites Synthesized via Two Chemical Routes

Barium Y-type hexaferrite Ba{sub 2}Co{sub 2}Fe{sub 12}O{sub 22} nanopowders have been purposefully tailored using two different chemical wet methods, namely sol-gel auto-combustion (SGA) and co-precipitation (CP) routes. The impact of the pre-annealing and the annealing temperature of the formed precursors synthesized using two strategies on the structural, microstructure, and magnetic properties was investigated using x-ray diffraction (XRD), scanning electron microscopic (SEM), Fourier transform infrared spectroscopy (FT-IR), and vibrating sample magnetometer (VSM). For instance, well-defined Ba{sub 2}Co{sub 2}Fe{sub 12}O{sub 22} hexagonal plate-like particles was observed using SGA and CP routes for the precursors pre-annealed at 600 {sup ∘}C for 4 h and then annealed at low temperature 1000 {sup ∘}C for 2 h. The magnetic properties measured at room temperature evinced that hexaferrite Co{sub 2}Y particles have ferromagnetic characteristics. Good magnetic properties involving saturation magnetization (M{sub s}) of 23.64 and 24.37 emu/g and the coercivity (H{sub c}) of 417.76 and 280.92 Oe were accomplished for the samples pre-annealed at 600 {sup ∘}C for 4 h and then annealed at 1000 {sup ∘}C for 2 h for SGA and CP methods, respectively.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Synthesis of AlFeCuCrMg{sub x} (x = 0, 0.5, 1, 1.7) alloy powders by mechanical alloying

Novel AlFeCuCrMg{sub x} (x = 0, 0.5, 1, 1.7 mol) high-entropy alloys (HEAs) were synthesized by mechanical alloying. The effect of Mg content on the phase evolution of HEAs was investigated using X-Ray diffractometry (XRD), transmission electron microscopy (TEM) and selected area electron diffraction (SAED) pattern analysis. The particle morphology and composition of HEAs were investigated by scanning electron microscopy (SEM). Thermodynamic parameters were calculated and analyzed to explain the formation of a solid solution. XRD analysis revealed BCC as major phase and FCC as a minor phase in as-milled AlFeCuCr and AlFeCuCrMg{sub 0.5} HEAs. Also, XRD analysis of as-milled AlFeCuCrMg, AlFeCuCrMg{sub 1.7} confirmed the formation of two BCC phases (BCC 1 and BCC 2). TEM–SAED analysis of AlFeCuCrMg{sub x} HEAs concurred with XRD results. Microstructural features and mechanism for solid solution formation have been conferred in detail. Phase formation of the present HEAs has been correlated with calculated thermodynamic parameters. Differential thermal analysis (TGA-DTA) of these alloys confirmed that there is no substantial phase change up to 500 °C. - Highlights: • Novel AlFeCuCrMg{sub x} (x = 0, 0.5, 1, 1.7) HEAs were prepared by mechanical alloying. • Phase evolution and lattice parameter were studied by X-Ray Diffraction. • Crystallite size and lattice microstrain calculated failed to obey the Williamson–Hall method. • Criterions for formation of simple solid solution were compared to the thermodynamic parameters of the present HEAs. • Increase in the Mg concentration in AlMg{sub x}FeCuCr (x = 0, 0.5, 1, 1.7) HEAs supports the formation of BCC phase.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Electrochemical synthesis of nanosized hydroxyapatite by pulsed direct current method

Synthesis of nanosized of hydroxyapatite (HA) by electrochemical pulsed direct current (PDC) method has been studied. The aim of this work is to study the influence of various PDC parameters (pH initial, electrode distance, duty cycle, frequency, and amplitude) on particle surface area of HA powders. The electrochemical synthesis was prepared in solution Ca{sup 2+}/EDTA{sup 4−}/PO{sub 4}{sup 3+} at concentration 0.25/0.25/0.15 M for 24 h. The electrochemical cell was consisted of two carbon rectangular electrodes connected to a function generator to produce PDC. There were two treatments for particles after electrosynthesized, namely without aging and aged for 2 days at 40 °C. For both cases, the particles were filtered and washed by demineralized water to eliminate the impurities and unreacted reactants. Then, the particles were dried at 100 °C for 2 days. The dried particles were characterized by X-ray diffraction, surface area analyzer, scanning electron microscopy (SEM), Fourier transform infrared spectra and thermogravimetric and differential thermal analysis. HA particles can be produced when the initial pH > 6. The aging process has significant effect on the produced HA particles. SEM images of HA particles showed that the powders consisted of agglomerates composed of fine crystallites and have morphology plate-like and sphere. The surface area of HA particles is in the range of 25 – 91 m{sup 2}/g. The largest particle surface area of HA was produced at 4 cm electrode distance, 80% cycle duty, frequency 0.1 Hz, amplitude 9 V and with aging process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Controlling the release of active compounds from the inorganic carrier halloysite

Halloysite (HNTs), a natural material characterized by a nanotube structure, has been used as an inorganic carrier of active compounds in several applications from medicine to anticorrosion coatings. In this present work, vanillin (VAN) used as a antimicrobial model, has been encapsulated within HNTs for exploiting its applicability in the active food packaging sector. The molecule release rate has been controlled by crosslinking at the tube ends the loaded vanillin with copper ions, thus producing a stopper network. The vanillin-loaded HNTs were characterized using transmission electron microscopy (TEM), Fourier transform infrared (FTIR) spectroscopy and thermo gravimetric analysis. The antimicrobial release kinetics from the loaded nanoparticles (VAN/HNTs) in water was investigated using UV-vis spectroscopy. The results show that the vanillin crosslinked with cupper ions is a feasible method to tailor the release rate of antimicrobial model from HTNs nanoparticles.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Temperature driven nano-domain evolution in lead-free Ba(Zr{sub 0.2}Ti{sub 0.8})O{sub 3}-50(Ba{sub 0.7}Ca{sub 0.3})TiO{sub 3} piezoceramics

Hierarchical micro- and nanoscale domain structures in Pb-free Ba(Zr{sub 0.2}Ti{sub 0.8})O{sub 3}-50(Ba{sub 0.7}Ca{sub 0.3})TiO{sub 3} piezoceramics were investigated by transmission electron microscopy. In situ heating and cooling studies of domain structure evolution reveal an irreversible domain transformation from a wedge-shaped rhombohedral nanodomain structure to a lamellar tetragonal domain structure, which could be associated with strong piezoelectricity in Ba(Zr{sub 0.2}Ti{sub 0.8})O{sub 3}-50(Ba{sub 0.7}Ca{sub 0.3})TiO{sub 3} piezoceramics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Fabrication of transparent cellulose acetate/graphene oxide nanocomposite film for UV shielding

In this work, we have fabricated transparent cellulose acetate/graphene oxide nanocomposite (CAGONC) films for ultraviolet radiations (UVR) shielding. Graphene oxide (GO) was synthesized by modified Hummer’s method and CAGONC films were fabricated by solvent casting method. The films were analyzed using characterization techniques like x-ray diffraction (XRD), energy dispersive x-ray (EDX) equipped scanning electron microscopy (SEM), transmission electron microscopy (TEM), Fourier transform infrared (FTIR) spectroscopy and ultra-violet visible (UV-VIS) spectroscopy. Four films were prepared by varying the wt% of GO (0.1wt%, 0.2wt% and 0.3wt%) with respect to cellulose acetate (CA). UV-vis measurements exhibit optical transparency in the range of 76-99% for visible light while ultra-violet radiation was substantially shielded.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2019

Biodegradation of Yerba Mate Waste Based Fertilizer Capsules. Effect of Temperature

Yerba mate waste based urea fertilizer capsules were obtained and characterized. Yerba mate powder (YMP) content in these encapsulation systems ranged from 52 to 82% for the different formulations. The aim of the study was to evaluate the effect of yerba mate powder:calcium alginate ratio and the assay temperature on capsule degradation and urea release rate in soil. Degradation evolution was monitored by microbiological tests, environmental scanning electronic microscopy, differential scanning calorimetry and Fourier transform infrared spectrometry. Encapsulation efficiency increased with YMP content. The green fertilizing systems generated did not inhibit microorganism development in soil. Degradation was slower for capsules with higher YMP content. Capsules with high YMP content released lower amounts of urea. Both degradation and release rates increased with assay temperature. The recycling of yerba mate powder as a green composite material originated a new fertilizer system.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Fabrication of anti-adhesion surfaces on aluminium substrates of rubber plastic moulds using electrolysis plasma treatment

An anti-adhesion surface with a water contact angle of 167° was fabricated on aluminium samples of rubber plastic moulds by electrolysis plasma treatment using mixed electrolytes of C{sub 6}H{sub 5}O{sub 7}(NH{sub 4}){sub 3} and Na{sub 2}SO{sub 4}, followed by fluorination. To optimise the fabrication conditions, several important processing parameters such as the discharge voltage, discharge time, concentrations of supporting electrolyte and stearic acid ethanol solution were examined systematically. Using scanning electron microscopy (SEM) to analyse surfaces morphology, micrometer scale pits, and protrusions were found on the surface, with numerous nanometer mastoids contained in the protrusions. These binary micro/nano-scale structures, which are similar to the micro-structures of soil-burrowing animals, play a critical role in achieving low adhesion properties. Otherwise, the anti-adhesion behaviours of the resulting samples were analysed by the atomic force microscope (AFM), Fourier-transform infrared spectrophotometer (FTIR), electrons probe micro-analyzer (EPMA), optical contact angle meter, digital Vickers microhardness (Hv) tester, and electronic universal testing. The results show that the electrolysis plasma treatment does not require complex processing parameters, using a simple device, and is an environment-friendly and effective method. Under the optimised conditions, the contact angle (CA) for the modified anti-adhesion surface is up to 167°, the sliding angle (SA) is less than 2°, roughness of the sample surface is only 0.409μm. Moreover, the adhesion force and H{sub v} are 0. 9KN and 385, respectively.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Selective electron beam melting of TiAl alloy: Microstructure evolution, phase transformation and microhardness

Highlights: cThe microstructure variation with build height of TiAl alloy was investigated. • The microhardness rapidly increased with build height increasing from 19 mm to 20 mm. • The mechanism of microstructure evolution was illuminated during SEBM. - Abstract: In this research, a Ti-47Al-2Cr-2Nb alloy was fabricated by selective electron beam melting (SEBM). The microstructures at different heights of SEBM-produced TiAl alloy sample and their contribution to microhardness were investigated. The results revealed that the last deposited layers displayed near lamellar structure with fine α{sub 2} lamellae. Lamellar colonies degraded at the height of 19 mm of the as-built sample, accompanied with the α{sub 2} lamellae decomposition and B2 precipitation along primary α{sub 2} lamellae. Meanwhile, equiaxed γ and blocky B2 phase dispersed on the colony boundaries. Lamellar colonies further degraded and colony boundaries further coarsen at the heights of 15 mm and 5 mm due to the in-situ heat treatment during SEBM process. Three kinds of phase transformations could be observed during SEBM process, which were α{sub 2} → γ, α{sub 2} → B2 and α{sub 2} + γ → B2. The microhardness exhibited slight fluctuation as the building height increased from 3 mm to 19 mm, and the microhardness rapidly increased with the building height increasing from 19 mm to 20 mm. Eventually, the mechanism of microstructure evolution during SEBM process was discussed in detail.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Ultrafast Science Opportunities with Electron Microscopy

X-rays and electrons are two of the most fundamental probes of matter. When the Linac Coherent Light Source (LCLS), the world’s first x-ray free electron laser, began operation in 2009, it transformed ultrafast science with the ability to generate laser-like x-ray pulses from the manipulation of relativistic electron beams. This document describes a similar future transformation. In Transmission Electron Microscopy, ultrafast relativistic (MeV energy) electron pulses can achieve unsurpassed spatial and temporal resolution. Ultrafast temporal resolution will be the next frontier in electron microscopy and can ideally complement ultrafast x-ray science done with free electron lasers. This document describes the Grand Challenge science opportunities in chemistry, material science, physics and biology that arise from an MeV ultrafast electron diffraction & microscopy facility, especially when coupled with linac-based intense THz and X-ray pump capabilities.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2019

Effects of Bi{sup 3+} Substitution on Structural, Morphological, and Magnetic Properties of Cobalt Ferrite Nanoparticles

In this research, the structural, morphological, and magnetic properties of Bi-doped cobalt ferrite (CoFe{sub 2-x}Bi{sub x}O{sub 4}) nanoparticles with x = 0.0, 0.05, 1, 0.15, and 0.2, prepared by the sol-gel method, were studied. In order to characterize the samples, several equipment and analyses including thermo-gravimetric and differential thermal analysis (TGA/DTA), X-ray diffraction (XRD), field emission scanning electron microscope (FESEM), Fourier transform infrared spectrometer (FT-IR), and vibrating sample magnetometer (VSM) were used. The average crystallite sizes of the prepared CoFe{sub 2-x}Bi{sub x}O{sub 4} were calculated using the Scherer, UDM, SSP, and Halder-Wagner methods. The average crystallite sizes for the samples were found in the range of 26 to 44 nm, which can be attributed to the grain growth of the particles. FT-IR spectrum showed bands in the range of 430 to 590 cm{sup −1} due to the stretching vibration of an oxygen atom and metal ions (Fe-O), confirming the formation of spinel ferrite. Surface morphology of the samples was studied using FESEM. The VSM results showed that the saturation and remanence magnetizations increased by raising the doping values up to x = 0.1. The Curie temperature of the cobalt nanoferrites was determined using Faraday’s technique. The highest Curie temperature was found to be 580 °C for the undoped sample.

77 NANOSCIENCE AND NANOTECHNOLOGY↗