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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

Fatigue damage study in aluminum-2024 T3 alloys

The grain structure of aluminum 2024, a commonly used commercial alloy is investigated, and these findings are correlated with the fatigue property of the material. Samples of aluminum 2024 were polished and etched in different reagents. Optical micrographs (at 500X) of samples etched in Keller's reagent revealed grain boundaries as well as some particles present in the microstructure. Normal x-ray scans of samples etched for different intervals of time in Keller's reagent indicate no significant variations in diffraction peak positions; however, the width of the rocking curve increased with the time of etching. These results are consistent with the direct dependence of the width of the rocking curve on the range of grain orientation. Etching removes the preferred orientation layer of the sample produced by polishing; thereby, causing the width to increase.

Ferguson, Milton W.↗
DOE OSTI2013

Investigation of a new willemite-type compound, (Li, Na, H){sub 0.16}Zn{sub 1.92}SiO{sub 4}

A new willemite-type compound, [(Li, Na, H){sub 0.16}Zn{sub 1.92}SiO{sub 4})] was synthesized from both solid-state reactions and molten NaCl. X-ray single crystal and neutron powder diffraction studies indicate the presence of Li{sup +}, Na{sup +}, and H{sup +} in four and six membered-ring channels of alternately arranged ZnO{sub 4} and SiO{sub 4}. The presence of channel cations is new to among numerous willemite-variants reported so far. This new configuration is attributed to defects at the Zn-sites. The new willemite-type material can be regarded as a prototype for combined cationic conductors. - Highlights: ► A new willemite-type compound, (Li, Na, H){sub 0.16}Zn{sub 1.92}SiO{sub 4} could be found for the first time. ► X-ray and neutron diffraction studies indicate the presence of Li{sup +}, Na{sup +}, and H{sup +}. ► The presence of these channel cations is attributed to 4% vacancy at Zn sites. ► This material can be regarded as a prototype for combined cationic conductors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Structure formation in perfluoropentacene:diindenoperylene blends and its impact on transient effects in the optical properties studied in real-time during growth

We discuss the result of the competing effects of favourable intermolecular interactions and steric incompatibilities due to the size mismatch of perfluoropentacene (PFP) and diindenoperylene (DIP) on the structure formation and associated optical properties in mixed films. Using real-time grazing incidence X-ray diffraction we investigate the size of coherently scattering islands l{sub s} as a function of film thickness and mixing ratio. We find that for PFP:DIP 1:2 blends l{sub s} is by a factor of ∼4 smaller than in pure DIP films, while l{sub s} of the PFP:DIP 2:1 blends is not significantly reduced compared with pure PFP. Yet, we observe an increase in l{sub s} with film thickness for all of the samples, independent on the mixing ratio. In parallel with the structural characterization we investigate the evolution of the absorption spectra in the visible spectral range and its dependence on l{sub s} in situ during film growth using differential reflectance spectroscopy. We observe a surprisingly strong effect of changes in the structural order on the shape of ε{sub 2,} {sub xy}(E), evident by a pronounced evolution of characteristic peaks in the thickness range from 1.6 nm to 9.6 nm. The combined results of the real-time experiments allow to identify the thickness dependent crystal grain size as the origin of the observed transient effects in the absorption spectra.

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

Ionic liquid-assisted preparation of square-shaped Y{sub 2}O{sub 3} nanoplates

Highlights: • Y{sub 4}O(OH){sub 9}(NO{sub 3}) nanosheets were prepared by an ionic liquid-assisted mixed solvothermal route. • Y{sub 2}O{sub 3} nanosheets were obtained after calcining the Y{sub 4}O(OH){sub 9}(NO{sub 3}) nanosheets. • The Y{sub 2}O{sub 3} nanosheets are with length of about 300 nm and thickness of several nanometers. - Abstract: Uniform square-shaped Y{sub 4}O(OH){sub 9}(NO{sub 3}) nanoplates with side length of about 300 nm and thickness of tens of nanometers have been successfully prepared by an ionic liquid-assisted mixed solvothermal route. Y{sub 2}O{sub 3} nanoplates with similar size were obtained after calcining the Y{sub 4}O(OH){sub 9}(NO{sub 3}) nanoplates at 800 °C. The products were analyzed by powder X-ray diffraction (XRD), thermogravimetric analysis (TG), scanning electron microscopy (SEM), transmission electron microscopy (TEM), high resolution TEM (HRTEM), and electron diffraction (ED). The effects of reaction time, composition of solvents, and the molar ratio of reagents on the morphology of the products have been investigated. The possible formation mechanism of the Y{sub 4}O(OH){sub 9}(NO{sub 3}) nanoplates was also discussed. Y{sub 2}O{sub 3}:Eu{sup 3+} nanoplates were also synthesized and their photoluminescent properties were examined.

36 MATERIALS SCIENCE↗
DOE OSTI2015

A Verification of MCNP6 FMESH Tally Capabilities

This work serves to verify the MCNP6 FMESH capability through comparison to two types of data. FMESH tallies, binned in time, were generated on an ideal detector face for neutrons undergoing a single scatter in a graphite target. For verification, FMESH results were compared to analytic calculations of the nonrelativistic TOF for elastic and inelastic single neutron scatters (TOF for the purposes of this paper is the time for a neutron to travel from its scatter location in the graphite target to the detector face). FMESH tally results were also compared to F4 tally results, an MNCP tally that calculates fluence in the same way as the FMESH tally. The FMESH tally results agree well with the analytic results and the F4 tally; hence, it is believed that, for simple geometries, MCNP6 FMESH tallies represent the physics of neutron scattering very well.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Relativistic Modeling of Ultra-Short Electron Pulse Propagation

The ultrafast electron microscopy, electron diffraction, electron crystallography, and nanocrystallography methods opened the possibility of studying the coherent structural dynamics of matter. The time resolution of the ultrafast electron microscopy and electron diffraction methods determined by the duration of electron pulses is the key parameter of experimental setups. This paper treats electron pulse dynamics in the field free drift region specifically for applications in atomic imaging. The electron beam is modeled as a system of particles (N) with N = 1000 and N = 10 000 electrons. The beam propagates for a certain period of time (1–4 ns); during its propagation, electron distribution parameters (over coordinates and velocities) are calculated to characterize the temporal profile and uncertainty in the electron wavelength at the sample. The results of applying relativistic dynamic equations show that nonrelativistic results are satisfactorily applicable (with 15 per cent or better accuracy) for modeling short electron pulse elongation and broadening at 30 keV and lower energies. However, the results of such modeling may be significantly in error for intermediate energies (300 keV), and for the fast relativistic beams (3 MeV) they become completely wrong. The relative reduction in Coulomb repulsion effects at higher energies is known, however; we give a comprehensive treatment that allows a quantitative picture. Using high-energy electron pulses results in almost complete elimination of the repulsive Coulomb effect. Dispersion of electron velocities becomes much lower at higher energies. For 3 MeV electrons, electron pulse duration as well as its radius does not noticeably change even after traveling for 4 ns (1.2 m). Even at 300 keV, the pulse duration increase is negligible until 1 ns (0.2 m). A simple mean-field model suggested in [13] has been extended to arbitrarily fast relativistic electron pulses with good correspondence to direct dynamic modeling.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Extensive domain wall motion and deaging resistance in morphotropic 0.55Bi(Ni{sub 1/2}Ti{sub 1/2})O{sub 3}–0.45PbTiO{sub 3} polycrystalline ferroelectrics

Domain wall motion is known as a major source of extrinsic contributions to the dielectric and piezoelectric properties of ferroelectric materials. In the present work, we report the extent of non-180° domain wall motion during strong and weak electric field amplitudes in situ using time-resolved, high-energy X-ray diffraction in the ferroelectric morphotropic phase boundary composition 0.55Bi(Ni{sub 1/2}Ti{sub 1/2})O{sub 3}–0.45PbTiO{sub 3} (BNT-45PT). After application of strong electric fields, two phases are shown to coexist. In the tetragonal phase of this material, the extent of 90° domain wall motion is significant and the domain alignment is nearly saturated. Weak (subswitching) cyclic electric fields are then also shown to induce domain wall motion. Deaging, or the progressive loss of preferred domain orientation during sequentially increasing field amplitudes, is notably low in these materials, showing that the initial domain alignment is strongly stabilized. Overall, the in situ measurements reveal that domain wall motion significantly impacts the structure and properties of BNT-45PT and reinforces the importance of understanding domain wall motion contributions to the physical properties of ferroelectrics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Atomistic Conversion Reaction Mechanism of WO 3 in Secondary Ion Batteries of Li, Na, and Ca

Abstract Intercalation and conversion are two fundamental chemical processes for battery materials in response to ion insertion. The interplay between these two chemical processes has never been directly seen and understood at atomic scale. Here, using in situ HRTEM, we captured the atomistic conversion reaction processes during Li, Na, Ca insertion into a WO 3 single crystal model electrode. An intercalation step prior to conversion is explicitly revealed at atomic scale for the first time for Li, Na, Ca. Nanoscale diffraction and ab initio molecular dynamic simulations revealed that after intercalation, the inserted ion–oxygen bond formation destabilizes the transition‐metal framework which gradually shrinks, distorts and finally collapses to an amorphous W and M x O (M=Li, Na, Ca) composite structure. This study provides a full atomistic picture of the transition from intercalation to conversion, which is of essential importance for both secondary ion batteries and electrochromic devices.

He, Yang↗
DOE OSTI2018

In Situ X-Ray Studies of Crystallization Kinetics and Ordering in Functional Organic and Hybrid Materials

In-Situ and time-resolved X-ray scattering and diffraction is dedicated to yielding the change of structural information as the materials are processed or grown in a controlled environment. In this chapter, we introduce the use of in situ and time-resolved X-ray techniques to understand molecular packing, crystal orientation, and phase transformation during the synthesis and processing of functional organic semiconductors, organic nanowires, and hybrid perovskite materials.

Yang, Bin↗
DOE OSTI2016

Effect of film thickness on structural and mechanical properties of AlCrN nanocompoite thin films deposited by reactive DC magnetron sputtering

In this study, the influence of film thickness on the structural, surface morphology and mechanical properties of Aluminum chromium nitride (AlCrN) thin films has been successfully investigated. The AlCrN thin films were deposited on silicon (100) substrate using dc magnetron reactive co-sputtering at substrate temperature 400° C. The structural, surface morphology and mechanical properties were studied using X-ray diffraction, field-emission scanning electron microscopy and nanoindentation techniques respectively. The thickness of these thin films was controlled by varying the deposition time therefore increase in deposition time led to increase in film thickness. X-ray diffraction pattern of AlCrN thin films with different deposition time shows the presence of (100) and (200) orientations. The crystallite size varies in the range from 12.5 nm to 36.3 nm with the film thickness due to surface energy minimization with the higher film thickness. The hardness pattern of these AlCrN thin films follows Hall-Petch relation. The highest hardness 23.08 Gpa and young modulus 215.31 Gpa were achieved at lowest grain size of 12.5 nm.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Multiframe X-ray diffraction on the OMEGA EP laser

A method of measuring multiple temporally resolved powder x-ray diffraction measurements during a single dynamic compression laser experiment has been demonstrated on the OMEGA EP laser. Up to four time-gated snapshots of the x-ray diffraction pattern are collected on an ultrafast x-ray framing camera with a 2θ scattering angle coverage of 48°–65° and 400-ps temporal resolution with the potential for 10°–160° and 200-ps resolution. X-ray diffraction snapshots capture the transformation to a high-pressure β phase in ramp-compressed Zr, constraining the atomic structure and pressure–density equation-of-state in a single shot. Here, this platform will be used to constrain transition pressures, understand the role of kinetics, and verify the existence of hysteresis and metastability on phase transformations at the lattice level under single-shot dynamic compression.

47 OTHER INSTRUMENTATION↗
DOE OSTI2014

Surfactant-directed synthesis of mesoporous films made single-step by a tandem photosol-gel/photocalcination route

In view of their technological impact in materials chemistry, a simplified and more efficient synthetic route to mesoporous films is highly sought. We report, herein, a smart UV-mediated approach coupling in a one-stage process sol-gel photopolymerization and photoinduced template decomposition/ablation to making mesoporous silica films. Performed at room temperature with a solvent-free solution of silicate precursor and amphiphilic poly(ethylene oxide)-poly(propylene oxide)-poly(ethylene oxide) block copolymer, the synthesis relies on photoacid generation to induce the fast formation (≈10 min) of mesostructured silica/surfactant domains. Continuation of UV exposure for three additional hours enables subsequent and complete photodegradation of the polyether copolymer, resulting in ordered or disordered mesoporous silica film. One of the most attractive features is that the one-step procedure relies on a continuous illumination provided by the same conventional medium-pressure Hg-Xe arc lamp equipped with a 254 nm reflector to enhance the emission of energetic photons <300 nm. In addition to X-ray diffraction and transmission electron microscopy, time-resolved Fourier transform infrared spectroscopy has proved to be a powerful in situ technique to probe the different chemical transformations accompanying irradiation. Photocalcination strengthens the inorganic network, while allowing to preserve a higher fraction of residual silanol groups compared with thermal calcination. A polyether chain degradation mechanism based on oxygen reactive species-mediated photo-oxidation is proposed.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Effect of nickel on the kinematic stability of retained austenite in carburized bearing steels – In-situ neutron diffraction and crystal plasticity modeling of uniaxial tension tests in AISI 8620, 4320 and 3310 steels

The presence of kinematically metastable retained austenite in the microstructure of bearing components can significantly affect the macro and micro-mechanical material response. In the present work, the influence of Ni on the stability of the retained austenite within three different grades of high carbon bearing steel using in-situ neutron diffraction is investigated. For the first time, the results show that presence of Ni increases the stability of the austenite in the elastic regime whereas the transformation rate remains unaffected. Crystal plasticity finite element (CPFE) modeling was used to study the deformation in these three steels and shows that the predominant factor causing the difference in mechanical behavior of these steels is the austenite stability. Finally, the elastic and plastic response of the matrix martensite was found to be identical among all specimens while the austenite demonstrates similar elastic behavior but remarkably different stabilities under monotonic loading.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Subpicosecond Optical Stress Generation in Multiferroic BiFeO 3

We report optical excitation leads to ultrafast stress generation in the prototypical multiferroic BiFeO 3 . The time scales of stress generation are set by the dynamics of the population of excited electronic states and the coupling of the electronic configuration to the structure. X-ray free-electron laser diffraction reveals high-wavevector subpicosecond-time scale stress generation following ultraviolet excitation of a BiFeO 3 thin film. Stress generation includes a fast component with a 1/e rise time with an upper limit of 300 fs and longer-rise time components extending to 1.5 ps. The contributions of the fast and delayed components vary as a function of optical fluence, with a reduced a fast-component contribution at high fluence. The results provide insight into stress-generation mechanisms linked to the population of excited electrons and point to new directions in the application of nanoscale multiferroics and related ferroic complex oxides. The fast component of the stress indicates that structural parameters and properties of ferroelectric thin film materials can be optically modulated with 3 dB bandwidths of at least 0.5 THz.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Peculiarities of section topograms for the multiple diffraction of X rays

The distortion of interference fringes on the section topograms of single crystal due to the multiple diffraction of X rays has been investigated. The cases of the 220 and 400 reflections in a silicon crystal in the form of a plate with a surface oriented normally to the [001] direction are considered both theoretically and experimentally. The same section topogram exhibits five cases of multiple diffraction at small azimuthal angles for the 400 reflection and MoK{sub α} radiation, while the topogram for the 220 reflection demonstrates two cases of multiple diffraction. All these cases correspond to different combinations of reciprocal lattice vectors. Exact theoretical calculations of section topograms for the aforementioned cases of multiple diffraction have been performed for the first time. The section topograms exhibit two different distortion regions. The distortions in the central region of the structure are fairly complex and depend strongly on the azimuthal angle. In the tails of the multiple diffraction region, there is a shift of two-beam interference fringes, which can be observed even with a laboratory X-ray source.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Macroscopic and electric properties in the CdTe-AgI-As2Se3 system

Highlights: • Macroscopic properties of the pseudo-ternary CdTe-AgI-As{sub 2}Se{sub 3} chalcogenide glasses. • Non-monotonic glass transition behaviour with increasing CdTe content. • Conductivity measurements of the pseudo-ternary CdTe-AgI-As{sub 2}Se{sub 3} chalcogenide glasses. • Decrease of the Ag{sup +} ion transport in the CdTe-AgI-As{sub 2}Se{sub 3} glasses. • Blockage of silver-related preferential conduction pathways by Cd{sup 2+}. - Abstract: Chalcohalide glasses in the CdTe-AgI-As{sub 2}Se{sub 3} system were synthesised and characterised for the first time. Measurements including density, X-ray diffraction (XRD), and differential scanning calorimetry (DSC) were performed. The glass-forming range for (CdTe){sub x}(AgI){sub 0.5-x/2}(As{sub 2}Se{sub 3}){sub 0.5-x/2} compositions was found to be limited to x ≤ 0.25. The characteristic glass transition T{sub g}, crystallisation T{sub x}, and melting T{sub m} temperatures of the synthesised glasses are reported and the criteria, ΔT = T{sub x}-T{sub g}, was calculated to evaluate the glass forming ability. Total electric conductivity measurements have shown that the room temperature conductivity decreases drastically with increasing x accompanied by a simultaneous increase of the activation energy. The decrease in the Ag{sup +} ion transport cannot be explained by reduction in the total silver concentration alone and a possible structural origin of conductivity changes was proposed and discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Atomic-Layer Engineering of Oxide Superconductors

Molecular beam epitaxy technique has enabled synthesis of atomically smooth thin films, multilayers, and superlattices of cuprates and other complex oxides. Such heterostructures show high temperature superconductivity and enable novel experiments that probe the basic physics of this phenomenon. For example, it was established that high temperature superconductivity and anti-ferromagnetic phases separate on Angstrom scale, while the pseudo-gap state apparently mixes with high temperature superconductivity over an anomalously large length scale (the 'Giant Proximity Effect'). We review some recent experiments on such films and superlattices, including X-ray diffraction, atomic force microscopy, angle-resolved time of flight ion scattering and recoil spectroscopy, transport measurements, high resolution transmission electron microscopy, resonant X-ray scattering, low-energy muon spin resonance, and ultrafast photo-induced reflection high energy electron diffraction. The results include an unambiguous demonstration of strong coupling of in-plane charge excitations to out-of-plane lattice vibrations, a discovery of interface high temperature superconductivity that occurs in a single CuO{sub 2} plane, evidence for local pairs, and establishing tight limits on the temperature range of superconducting fluctuations.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Dynamic crossover in deeply cooled water confined in MCM-41 at 4 kbar and its relation to the liquid-liquid transition hypothesis

With quasi-elastic neutron scattering, we study the single-particle dynamics of the water confined in a hydrophilic silica material, MCM-41, at 4 kbar. A dynamic crossover phenomenon is observed at 219 K. We compare this dynamic crossover with the one observed at ambient pressure and find that (a) above the crossover temperature, the temperature dependence of the characteristic relaxation time at ambient pressure exhibits a more evident super-Arrhenius behavior than that at 4 kbar. Especially, at temperatures below about 230 K, the relaxation time at 4 kbar is even smaller than that at ambient pressure. This feature is different from many other liquids. (b) Below the crossover temperature, the Arrhenius behavior found at ambient pressure has a larger activation energy compared to the one found at 4 kbar. We ascribe the former to the difference between the local structure of the low-density liquid (LDL) phase and that of the high-density liquid (HDL) phase, and the latter to the difference between the strength of the hydrogen bond of the LDL and that of the HDL. Therefore, we conclude that the phenomena observed in this paper are consistent with the LDL-to-HDL liquid-liquid transition hypothesis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗