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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Atomic-Scale Behavior of Radiation-Resistant ZnO under High-Energy Electron Bombardment

Understanding the atomic structure and defect characteristics of ZnO thin films is crucial for optimizing their electronic properties and performance in advanced applications. Here, we investigate the atomic structure and defect characteristics of atomic layer deposition (ALD)-grown ZnO thin films by using aberration-corrected scanning transmission electron microscopy (STEM). Atomic-resolution imaging identifies prevalent stacking faults, dipole disorder, and various grain boundary types, which are believed to influence the electronic properties of ZnO. Additionally, real-time electron beam exposure experiments demonstrate structural transformations, including crystal growth and surface rearrangements. These findings provide insights into the growth mechanisms of ALD ZnO under high-energy electron irradiation conditions, an important finding for the use of polycrystalline ZnO wide bandgap semiconductors in space-like conditions. In conclusion, our results underscore the capability of STEM in directly visualizing and quantifying atomic-scale defects and beam-induced transformations in radiation-resistant ZnO.

Defects↗
DOE OSTI2014

Morphology and crystallographic orientation relationship in isothermally transformed Fe–N austenite

The 225 °C isothermal transformation of a high-nitrogen austenite with Fe–2.71 wt.% N was investigated by means of electron microscopy. It was found that the transformation products were composed of ultrafine α-Fe and γ′-Fe{sub 4}N plus retained austenite γ, which were in two types of morphologies, namely, (i) with the retained austenite patches dispersed among the (α-Fe + γ′-Fe{sub 4}N) packets and (ii) with the ultrafine α-Fe and γ/γ′-Fe{sub 4}N laths interwoven with each other within a single bainitic packet. A cube–cube orientation relationship between the γ (austenite) and γ′-Fe{sub 4}N, and a near Greninger–Troiano (G–T) one between the γ (austenite) and the bainitic α-ferrite were detected. The morphology, orientation relationship and high hardness (> 1000 HV) of the transformation products indicated that the isothermal transformation of the high nitrogen austenite was analogous to a bainitic one. - Highlights: • Isothermal transformation products consisted of nano-sized α-Fe + γ′ + γ (retained). • The hardness of transformation product exceeded 1000 HV. • The α-Fe and γ/γ′-Fe{sub 4}N kept a near G-T OR in the grain interior.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Improving Corrosion Resistance of 316L Austenitic Stainless Steel Using ZrO{sub 2} Sol-Gel Coating in Nitric Acid Solution

In this study, thin-film coating of zirconium oxide (ZrO{sub 2}) was prepared by sol-gel method and subsequent heat treatment process. The sol was prepared by controlled hydrolysis of zirconium tetrapropoxide using acetic acid and ethanol/acetylacetone mixture as catalyst and chelating agent, respectively, and finally deposited onto the 316L austenitic stainless steel (316L SS) using dip coating method in order to improve its corrosion resistance in nitric acid medium. The composition, structure, and morphology of the coated surface were investigated by x-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), and atomic force microscopy (AFM). The obtained results from XRD and FTIR state the formation of tetragonal and monoclinic ZrO{sub 2} phase. Also, the obtained results from surface morphology investigation by SEM and AFM indicate the formation of smooth, homogeneous and uniform coatings on the steel substrate. Then, the corrosion behavior of stainless steel was investigated in a 1 and 10 M nitric acid solutions using electrochemical impedance spectroscopy and linear polarization test. The obtained results from these tests for ZrO{sub 2}-coated specimens indicated a considerable improvement in the corrosion resistance of 316L stainless steel by an increase in corrosion potential and transpassive potential, and a decrease in passive current density and corrosion current density. The decrease in passive current density in both the concentration of solutions was two orders of magnitude from bare to coated specimens.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Herpes simplex virus 1 induces egress channels through marginalized host chromatin

Lytic infection with herpes simplex virus type 1 (HSV-1) induces profound modification of the cell nucleus including formation of a viral replication compartment and chromatin marginalization into the nuclear periphery. Here, we used three-dimensional soft X-ray tomography, combined with cryogenic fluorescence, confocal and electron microscopy, to analyse the transformation of peripheral chromatin during HSV-1 infection. Our data showed an increased presence of low-density gaps in the marginalized chromatin at late infection. Advanced data analysis indicated the formation of virus-nucleocapsid-sized (or wider) channels extending through the compacted chromatin of the host. Importantly, confocal and electron microscopy analysis showed that these gaps frequently contained viral nucleocapsids. Our results demonstrated that HSV-1 infection induces the formation of channels penetrating the compacted layer of cellular chromatin and allowing for the passage of progeny viruses to the nuclear envelope, their site of nuclear egress.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

Two-dimensional vibrational-electronic spectroscopy

Two-dimensional vibrational-electronic (2D VE) spectroscopy is a femtosecond Fourier transform (FT) third-order nonlinear technique that creates a link between existing 2D FT spectroscopies in the vibrational and electronic regions of the spectrum. 2D VE spectroscopy enables a direct measurement of infrared (IR) and electronic dipole moment cross terms by utilizing mid-IR pump and optical probe fields that are resonant with vibrational and electronic transitions, respectively, in a sample of interest. We detail this newly developed 2D VE spectroscopy experiment and outline the information contained in a 2D VE spectrum. We then use this technique and its single-pump counterpart (1D VE) to probe the vibrational-electronic couplings between high frequency cyanide stretching vibrations (ν{sub CN}) and either a ligand-to-metal charge transfer transition ([Fe{sup III}(CN){sub 6}]{sup 3−} dissolved in formamide) or a metal-to-metal charge transfer (MMCT) transition ([(CN){sub 5}Fe{sup II}CNRu{sup III}(NH{sub 3}){sub 5}]{sup −} dissolved in formamide). The 2D VE spectra of both molecules reveal peaks resulting from coupled high- and low-frequency vibrational modes to the charge transfer transition. The time-evolving amplitudes and positions of the peaks in the 2D VE spectra report on coherent and incoherent vibrational energy transfer dynamics among the coupled vibrational modes and the charge transfer transition. The selectivity of 2D VE spectroscopy to vibronic processes is evidenced from the selective coupling of specific ν{sub CN} modes to the MMCT transition in the mixed valence complex. The lineshapes in 2D VE spectra report on the correlation of the frequency fluctuations between the coupled vibrational and electronic frequencies in the mixed valence complex which has a time scale of 1 ps. The details and results of this study confirm the versatility of 2D VE spectroscopy and its applicability to probe how vibrations modulate charge and energy transfer in a wide range of complex molecular, material, and biological systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Native Top-Down Mass Spectrometry and Ion Mobility MS for Characterizing the Cobalt and Manganese Metal Binding of α-Synuclein Protein

Structural characterization of intrinsically disordered proteins (IDPs) has been a major challenge in the field of protein science due to limited capabilities to obtain full-length high-resolution structures. Native ESI-MS with top-down MS was utilized to obtain structural features of protein-ligand binding for the Parkinson’s disease-related protein, α-synuclein (αSyn), which is natively unstructured. Binding of heavy metals has been implicated in the accelerated formation of αSyn aggregation. Using high-resolution Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry, native top-down MS with various fragmentation methods, including electron capture dissociation (ECD), collisional activated dissociation (CAD), and multistage tandem MS (MS{sup 3}), deduced the binding sites of cobalt and manganese to the C-terminal region of the protein. Ion mobility MS (IM-MS) revealed a collapse toward compacted states of αSyn upon metal binding. The combination of native top-down MS and IM-MS provides structural information of protein-ligand interactions for intrinsically disordered proteins. .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

From the Ternary Phase Ca 14 Zn 1+δ Sb 11 (δ ≈ 0.4) to the Quaternary Solid Solutions Ca 14– x RE x ZnSb 11 (RE = La–Nd, Sm, Gd, x ≈ 0.9). A Tale of Electron Doping via Rare-Earth Metal Substitutions and the Concomitant Structural Transformations

In this work, the ternary compound Ca 14 Zn 1.37(1) Sb 11 and its six rare-earth metal substituted derivatives Ca 14–x RE x ZnSb 11 (RE = La–Nd, Sm, Gd; x ≈ 0.90±0.06) have been synthesized and structurally characterized by single-crystal X-ray diffraction methods. All com-pounds formally crystallize in the tetragonal Ca 14 AlSb 11 structure type (space group $I$4 1 $/ acd$, No. 142, $Z$ = 8). The crystal structure of Ca 14 Zn 1.37(1) Sb 11 subtly differs from the structure of the remaining six, as well as from the structure of the archetype, due to the presence of a partially occupied interstitial Zn position. The extra zinc atom is needed in this structure to alleviate the unfavorable number of valence electrons in the imaginary Ca 14 ZnSb 11 . Electron doping, via substitution of RE 3+ ions on Ca 2+ sites is shown as an alternative route to achieve electron balance in these Zn-based analogs of the Ca 14 AlSb 11 structure, which does not require the in-corporation of interstitial atoms. Electrical resistivity measurements done on single-crystalline samples are in agreement with the notion that Ca 14–x RE x ZnSb 11 behave as either bad metals or heavily-doped semi-conductors. Magnetization measurements show Curie-Weiss paramagnetic behavior related to the local-moment magnetism of the RE 3+ ions.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Characteristics of martensite transformed from deformed austenite with various states of ultrahigh strength 300 M steel

Highlights: • Fractions of lath martensite and its packets decrease with the increasing of strain. • Length and width of blocks of lath martensite decrease with an increase in strain. • Severe work-hardening and completed DRX hamper transformation of lath martensite. • As for austenite with the state of work-hardening, the lath width changes little. • As for austenite with the state of DRX and subsequent growth, the lath width changes. - Abstract: 300 M steel was isothermally compressed on a Gleeble 1500 simulator at a deformation temperature of 1173 K, a strain rate of 0.1 s{sup −1} and strains ranging from 0.11 to 1.20. The morphologies and structure characteristics of martensite transformed from deformed austenite during water quenching were observed and analysed via scanning electron microscope and transmission electron microscope. Subsequently, effects of prior austenite state on martensitic transformation behavior of 300 M steel were analysed. The experimental results showed that predominant lath martensite and complemental twinned martensite and retained austenite coexisted in deformation-quenched 300 M steel at various strains. The volume fraction of lath martensite and packets of lath martensite decreased with the increasing of strain, and the length and width of the blocks in lath martensite concurrently decreased. Prior austenite with the state of severely work-hardening or just completed dynamic recrystallization would hamper the nucleation and subsequent growth of lath martensite. Additionally, as for austenite with the state of work-hardening, the morphologies and width of laths changed little with the increasing of strain, whereas dislocations in the interior of laths dramatically increased. However, as for austenite with the state of dynamic recrystallization and subsequent growth, the width of laths obviously increased with the increasing of austenite grain size.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Electrochemical behavior of potentiodynamically deposited cobalt oxyhydroxide (CoOOH) thin films for supercapacitor application

Graphical abstract: Scanning electron micrograph (SEM) images of cobalt oxyhydroxide thin film at (a) 2000 Multiplication-Sign and (b) 10,000 Multiplication-Sign magnifications. Highlights: Black-Right-Pointing-Pointer Simple method for the synthesis of CoOOH thin films. Black-Right-Pointing-Pointer Supercapacitor with maximum specific capacitance of 449 F g{sup -1}. Black-Right-Pointing-Pointer High charge/discharge efficiency. -- Abstract: In the present study, we report, for the first time, the synthesis of cobalt oxyhydroxide thin films on inexpensive stainless steel substrate using potentiodynamic electrodeposition method. These films were characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR) and scanning electron microscopy (SEM) techniques. The orthorhombic crystal structure was revealed by the X-ray diffraction study. The FT-IR spectrum confirmed the formation of cobalt oxyhydroxide. The SEM studies showed the nanoflakes-like morphology with an average thickness of 100 nm. The cyclic voltammetry study of the cobalt oxyhydroxide films in 1 M KOH showed maximum specific capacitance of 449 F g{sup -1} at scan rate of 5 mV s{sup -1}.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Polyvinyl Alcohol (PVA)–Azadirachta indica (Neem) Nanofibrous Mat for Biomedical Application: Formation and Characterization

The present study provides credence to the formation of polyvinyl alcohol (PVA)–Azadirachta indica (neem) nanofibrous mat (PNNM) under optimum processing conditions of electrospinning technique from a mixer of PVA and neem extract to utilize the inherent medicinal properties of this herb for biomedical application. The bonding behavior, orientation of fibers, thermal behavior, and moisture management properties were evaluated by Fourier transforms infrared spectroscopy (FTIR), scanning electron microscopy (SEM), thermo gravimetric analysis (TGA) and moisture management tester (MMT) reports respectively. The antibacterial activity of the developed sample at the maximum mixing ratio of neem extract (80%) was tested against Gram-positive (S. aureus) bacteria using agar disc diffusion method. The results reveal that the prepared nanofibrous mat exhibited better thermal and moisture management properties in comparison with PVA nanofiber alone. The formation of smooth fibers was confirmed by SEM images having average diameter of 185 nm under 5k, 10k and 15k magnifications. The characteristic peaks of PVA and neem constituents in FTIR spectra of the developed mat confirmed the presence of both components. Bacterial resistance was reached up to 20 mm due to the antibacterial constituents of neem extract. Thus the developed mat could be used as a biocompatible and bio based in biomedical applications. Graphic Abstract: .

36 MATERIALS SCIENCE↗
DOE OSTI2026

Automated TEM Reveals Intercrystalline Correlations of Conjugated Polymers

Transmission electron microscopy (TEM) continues to transform polymer science by revealing key aspects of chain packing, phase separation and nanoscale structure. The development of instrumentation and data analyses tools is driving the field forward and enabling new experiments. Here, we use automated high-resolution TEM (HRTEM) and image processing to identify the structure of a conjugated polymer used in organic electronics. Analysis of more than 600 HRTEM images reveals lattice parameters and orientation correlations between crystals, including the preferred alignment of neighboring crystals along the same crystallographic direction that is likely the result of liquid crystalline order.

Fair, Ryan A. [Pennsylvania State University, Univ↗
DOE OSTI2019

Novel Biocide Based on Cationic Derivative of Psyllium: Surface Modification and Antibacterial Activity

To circumvent the problems (such as volatilization, photolytic decomposition, chemical instability, easy permeability through the skin) associated with low molecular weight antimicrobial agents, our strategy employed graft copolymerization of cationic monomer with the polymeric substrate viz. psyllium husk. The surface graft concentration of quaternary ammonium ion on psyllium was optimized by measuring the extent of grafting in the microwave-induced process. The surface modification of graft copolymers was evident by different physico–chemical techniques like {sup 13}C nuclear magnetic resonance (NMR), Fourier-transform infrared spectroscopy (FTIR), scanning electron microscope (SEM), X-ray diffractometer (XRD), differential scanning calorimetry (DSC), Thermo gravimeteric analysis (TGA), and viscometric study. The synthesized water soluble product resulted good antibacterial activity against Gram positive Staphylococcus aureus and Bacillus anthracis but failed to produce any antibacterial activity against Gram negative Salmonella typhi and Escherichia coli. The reason to failure has been explained on the basis of differences in the electrokinetic property between Gram-positive and Gram-negative bacteria. Optimum minimum inhibitory concentration (MIC) for the polymeric grade which showed good biocidal effect evaluated by both zone of inhibition and absorbance is found at 1000 µg/ml.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Degradation of Adenine on the Martian Surface in the Presence of Perchlorates and Ionizing Radiation: A Reflectron Time-of-flight Mass Spectrometric Study

The aim of the present work is to unravel the radiolytic decomposition of adenine (C{sub 5}H{sub 5}N{sub 5}) under conditions relevant to the Martian surface. Being the fundamental building block of (deoxy)ribonucleic acids, the possibility of survival of this biomolecule on the Martian surface is of primary importance to the astrobiology community. Here, neat adenine and adenine–magnesium perchlorate mixtures were prepared and irradiated with energetic electrons that simulate the secondary electrons originating from the interaction of the galactic cosmic rays with the Martian surface. Perchlorates were added to the samples since they are abundant—and therefore relevant oxidizers on the surface of Mars—and they have been previously shown to facilitate the radiolysis of organics such as glycine. The degradation of the samples were monitored in situ via Fourier transformation infrared spectroscopy and the electron ionization quadruple mass spectrometric method; temperature-programmed desorption profiles were then collected by means of the state-of-the-art single photon photoionization reflectron time-of-flight mass spectrometry (PI-ReTOF-MS), allowing for the detection of the species subliming from the sample. The results showed that perchlorates do increase the destruction rate of adenine by opening alternative reaction channels, including the concurrent radiolysis/oxidation of the sample. This new pathway provides a plethora of different radiolysis products that were identified for the first time. These are carbon dioxide (CO{sub 2}), isocyanic acid (HNCO), isocyanate (OCN{sup −}), carbon monoxide (CO), and nitrogen monoxide (NO); an oxidation product containing carbonyl groups (R{sub 1}R{sub 2}–C=O) with a constrained five-membered cyclic structure could also be observed. Cyanamide (H{sub 2}N–C≡N) was detected in both irradiated samples as well.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

A novel process for separation of polycarbonate, polyvinyl chloride and polymethyl methacrylate waste plastics by froth flotation

Highlights: • KMnO{sub 4} treatment changes selectively flotation behavior of PC, PVC and PMMA plastics. • Ternary waste plastics are separated efficiently by froth flotation. • Recycling of KMnO{sub 4} solutions is conducted to make the process green. • A novel process is proposed for separation of waste plastics by froth flotation. - Abstract: A novel process was proposed for separation of ternary waste plastics by froth flotation. Pretreatment of plastics with potassium permanganate (KMnO{sub 4}) solution was conducted to aid flotation separation of polycarbonate (PC), polyvinyl chloride (PVC) and polymethyl methacrylate (PMMA) plastics. The effect of pretreatment parameters including KMnO{sub 4} concentration, treatment time, temperature and stirring rate on flotation recovery were investigated by single factor experiments. Surface treatment with KMnO{sub 4} changes selectively the flotation behavior of PC, PVC and PMMA, enabling separation of the plastics by froth flotation. Mechanism of surface treatment was studied by Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM) and X-ray photoelectron spectrum (XPS). Effect of frother concentration and flotation time on flotation behavior of plastic mixtures was further studied for flotation separation. The optimized conditions for separation of PC are KMnO{sub 4} concentration 2 mmol L{sup −1}, treatment time 10 min, temperature 60 °C, stirring rate 300 rpm, flotation time 1 min and frother concentration 17.5 mg L{sup −1}. Under optimum conditions, PVC and PMMA mixtures are also separated efficiently by froth flotation associated with KMnO{sub 4} treatment. The purity of PC, PVC and PMMA is up to 100%, 98.41% and 98.68%, while the recovery reaches 96.82%, 98.71% and 98.38%, respectively. Economic analysis manifests remarkable profits of the developed process. Reusing KMnO{sub 4} solution is feasible, enabling the process greener.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Water-dispersible and quasi-superparamagnetic magnetite nanoparticles prepared in a weakly basic solution at the low synthetic temperature

Highlights: • Magnetite nanoparticles were prepared in a weakly basic solution at the low reaction temperature. • The double layer may be steadily formed on the surfaces of magnetite nanoparticles at the high pH value. • Magnetite nanoparticles present a quasi-superparamagnetic property and a good dispersion in the aqueous solution. - Abstract: Magnetite nanoparticles were prepared in a weakly basic solution at the low reaction temperature by the co-precipitation method. As a comparison, the oxidative precipitation method was also applied in this study. The structure, morphology, and other properties of the obtained samples were characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), scanning electron microscope (SEM), transmission electron microscope (TEM), and thermogravimetric analysis (TGA). The above characterization data indicate that small size and narrow size distribution are found for magnetite nanoparticles prepared by the co-precipitation method. Further magnetic property and Zeta potential results illuminate that magnetite nanoparticles prepared by this method display a quasi-superparamagnetic property and a good dispersion in the aqueous solution. Based on the investigation results, the magnetite nanoparticles with a quasi-superparamagnetic property and a fine dispersion can be facilely prepared in a weakly basic solution at the low reaction temperature by the co-precipitation method.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Development of Novel Biodegradable Enrofloxacin–Silica Composite for In Vitro Drug Release Kinetic Studies

A sustained drug delivery system is developed by using nonionic polymer to formulate drug release rate from silica capsules. To serve this purpose, silica capsules filled with poly(ethylene glycol) (PEG) were incorporated with a veterinary antibiotic drug enrofloxacin (ENF); as a model hydrophobic drug by using a general and facile sol–gel route. The physicochemical properties of the prepared drug-loaded composites were investigated by scanning electron microscope (SEM), nitrogen adsorption, Fourier transform infrared spectroscopy and thermal analysis (TGA). The impact of the media’s ionic strength on the drug release was evaluated over a range of 0–0.4 M to simulate the gastrointestinal feed in two physiological pH conditions. Sodium chloride was applied for ionic concentration adjustment due to its ability to salt out polymers in the midrange of the lyotropic series. Simultaneously, the drug release kinetics was evaluated by fitting experimental data to common empirical (zero-order, first order and Higuchi) and semi-empirical (Ritger–Peppas and Sahlin–Peppas) models. The drug release kinetics from capsules revealed a non-Fickian diffusion and pure relaxation-controlled release. Of these models, Sahlin–Peppas equation best fit the release data of ENF. To determine the best model, non-linear regressions were carried out.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Thermal and mechanical properties of palm oil-based polyurethane acrylate/clay nanocomposites prepared by in-situ intercalative method and electron beam radiation

Palm oil based-polyurethane acrylate (POBUA)/clay nanocomposites were prepared via in-situ intercalative polymerization using epoxidized palm oil acrylate (EPOLA) and 4,4' methylene diphenyl diisocyante (MDI). Organically modified Montmorillonite (ODA-MMT) was incorporated in EPOLA (1, 3 and 5%wt), and then subjected to polycondensation reaction with MDI. Nanocomposites solid films were obtained successfully by electron beam radiation induced free radical polymerization (curing). FTIR results reveal that the prepolymer was obtained successfully, with nanoclay dispersed in the matrix. The intercalation of the clay in the polymer matrix was investigated by XRD and the interlayer spacing of clay was found to be increased up to 37 Å, while the structure morphology of the nanocomposites was investigated by TEM and SEM. The nanocomposites were found to be a mixture of exfoliated and intercalated morphologies. The thermal stability of the nanocomposites was significantly increased by incorporation of nanoclay into the polymer matrix. DSC results reveal that the Tg was shifted to higher values, gradually with increasing the amount of filler in the nanocomposites. Tensile strength and Young's modulus of the nanocomposites showed remarkable improvement compared to the neat POBUA.

36 MATERIALS SCIENCE↗