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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 1,693 records · Page 94
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

Pressure-induced phase transition of Fe{sub 2}TiO{sub 4}: X-ray diffraction and Moessbauer spectroscopy

X-ray diffraction and Moessbauer spectroscopy were employed to investigate structural stability of Fe{sub 2}TiO{sub 4} under high pressure. Measurements were performed up to about 24 GPa at room temperature using diamond anvil cell. Experimental results demonstrate that Fe{sub 2}TiO{sub 4} undergoes a series of phase transitions from cubic (Fd3-bar m) to tetragonal (I4{sub 1}/amd) at 8.7 GPa, and then to orthorhombic structure (Cmcm) at 16.0 GPa. The high-pressure phase (Cmcm) of Fe{sub 2}TiO{sub 4} is kept on decompression to ambient pressure. In all polymorphs of Fe{sub 2}TiO{sub 4}, iron cations present a high-spin ferrous property without electric charge exchange with titanium cations at high pressure supported by Moessbauer evidences. - Graphical abstract: A series of phase transition of Fe{sub 2}TiO{sub 4} occurs from cubic (a) to tetragonal (b and c) then to orthorhombic phase (d-f) at high pressure. Highlights: Black-Right-Pointing-Pointer High pressure behaviors of Fe{sub 2}TiO{sub 4} were investigated. Black-Right-Pointing-Pointer Phase transitions were observed from cubic to tetragonal and then to orthorhombic. Black-Right-Pointing-Pointer Orthorhombic phase can be kept on decompression. Black-Right-Pointing-Pointer In all polymorphs of Fe{sub 2}TiO{sub 4}, iron ions are ferrous with high-spin state.

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

Electron diffraction and high-resolution electron microscopy studies on layered Li{sub 2−δ}(Mn{sub 1−x}Co{sub x}){sub 1+δ}O{sub 3}

The structure of Li{sub 2}MnO{sub 3}–LiCoO{sub 2} solid solutions or Li{sub 2−δ}(Mn{sub 1−x}Co{sub x}){sub 1+δ}O{sub 3} (LMCO) which are promising lithium-battery cathodes was studied by high-resolution electron microscopy (HREM). X-ray diffraction (XRD) analyses indicate that Li{sub 1.6}Mn{sub 0.2}Co{sub 1.2}O{sub 3} and Li{sub 1.7}Mn{sub 0.4}Co{sub 0.9}O{sub 3} take a rhombohedral (R3-bar m space group) structure, whereas Li{sub 1.85}Mn{sub 0.7}Co{sub 0.45}O{sub 3} and Li{sub 1.95}Mn{sub 0.9}Co{sub 0.15}O{sub 3} take a monoclinic (C2/m) superstructure. HREM studies on those samples reveal that all of the observed crystallites in sample Li{sub 1.95}Mn{sub 0.9}Co{sub 0.15}O{sub 3} contain sharp stripe structures due to the planar defects along the c{sub h}-axis (stacking direction of the hexagonal close-packed planes) of parent rhombohedral R3-bar m cell. Such stripe structures become faint with increasing x, Co content. The origin of the planar defects is mainly attributed not to the different structures but to the different local orientations of the monoclinic LMCO. Local disordering of Li and (Mn,Co) in (Li,Mn,Co) planes is developed with increasing x and the structures are transformed from C2/m to R3-bar m. The alternative (Li,Mn,Co)-plane stacking structure, trigonal P3{sub 1}12 LMCO, was occasionally observed. However, only P3{sub 1}12 LMCO platelets with a thickness of a single unit cell were detected. - Graphical abstract: An HREM image for Li{sub 1.95}(Mn{sub 0.9}Co{sub 0.15})O{sub 3} and schematic drawings of C2/m and P3{sub 1}12 Li{sub 2}MnO{sub 3} projected along the various zone axes. Each projected unit cell is indicated by rectangles and parallelograms . - Highlights: • Li{sub 2−δ}(Mn{sub 1−x}Co{sub x}){sub 1+δ}O{sub 3} was studied by high-resolution electron microscopy (HREM). • HREM studies revealed a large amount of planar defects in C2/m Li{sub 1.95}Mn{sub 0.9}Co{sub 0.15}O{sub 3}. • The origin of the defects is the different local orientations of the C2/m platelets. • P3{sub 1}12 platelets with only single unit cell sequence were detected.

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

The evolution with strain of the stored energy in different texture components of cold-rolled IF steel revealed by high resolution X-ray diffraction

During the deformation of low carbon steel by cold-rolling, dislocations are created and stored in grains depending on local crystallographic orientation, deformation, and deformation gradient. Orientation dependent dislocation densities have been estimated from the broadening of X-ray diffraction lines measured on a synchrotron beamline. Different cold-rolling levels (from 30% to 95% thickness reduction) have been considered. It is shown that the present measurements are consistent with the hypothesis of the sole consideration of screw dislocations for the analysis of the data. The presented evolutions show that the dislocation density first increases within the α fiber (=(hkl)<110>) and then within the γ fiber (=(111) ). A comparison with EBSD measurements is done and confirms that the storage of dislocations during the deformation process is orientation dependent and that this dependence is correlated to the cold-rolling level. If we assume that this dislocation density acts as a driving force during recrystallization, these observations can explain the fact that the recrystallization mechanisms are generally different after moderate or large strains. - Highlights: • Dislocation densities are assessed by XRD in main texture components of a steel sheet. • Dislocation densities vary with both strain and texture components. • The analysis relies on the sole presence of screw dislocations. • The measured dislocation densities include the contribution of both SSD and GND.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Assessment of firing conditions in old fired-clay bricks: The contribution of X-ray powder diffraction with the Rietveld method and small angle neutron scattering

Full characterization of fired-clay bricks is crucial for the improvement of process variables in manufacturing and, in case of old bricks, for restoration/replacement purposes. To this aim, five bricks produced in a plant in Czech Republic in the past have been investigated with a combination of analytical techniques in order to derive information on the firing process. An additional old brick from another brickyard was also used to study the influence of different raw materials on sample microstructure. The potential of X-ray diffraction with the Rietveld method and small angle neutron scattering technique has been exploited to describe the phase transformations taking place during firing and characterize the brick microstructure. Unit-cell parameter of spinel and amount of hematite are proposed as indicators of the maximum firing temperature, although for the latter, limited to bricks produced from the same raw material. The fractal quality of the surface area of pores obtained from small angle neutron scattering is also suggested as a method to distinguish between bricks produced from different raw clays. - Highlights: • Rietveld method helps in describing microstructure and physical properties of bricks. • XRPD derived cell parameter of spinel is proposed as an indicator of firing temperature. • SANS effectively describes brick micro and nanostructure, including closed porosity. • Fractal quality of pore surface is proposed as ‘fingerprint’ of brick manufacturing.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Cold rolling texture evolution of TiB2 particle reinforced Al-based composites by Neutron Diffraction and EBSD analysis

Highlights: • Texture development of in-situ TiB{sub 2} particle reinforced Al matrix composites after cold rolling were characterized. • The sum of rolling texture volume fractions has been significantly reduced by the weak texture in particle deformation zone. • Recrystallization nuclei with the Cube and Rotated-Cube orientations were observed in the particle deformation zones. • Small TiB{sub 2} particles within Al grains kept the parallel relationship with surrounding matrix during the deformation. - Abstract: Texture development of particle-reinforced metal matrix materials (P-MMCs) has not been understood well, especially the effects of second-phase particles during the deformation. In this work, we have investigated the texture evolution of TiB{sub 2}/Al composites during cold rolling by Neutron Diffraction and EBSD analysis. Two forms of TiB{sub 2} particles influenced the texture evolution in different ways. The particle-clusters aggregated along grain boundaries led to a reduction of texture volume fraction; recrystallization nuclei with weak texture appeared around these particle-clusters. Small non-shearable TiB{sub 2} particles dispersed inside Al matrix contributed to strong Copper texture component at high strains; the individual particles rotated together with Al matrix during the deformation. These revealed effects of particles on the texture development in TiB{sub 2}/Al composites provide a reference for the texture control of P-MMCs.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Direct measurement of the effective properties of an additively manufactured titanium octet truss unit cell using high energy X-ray diffraction

Additively manufactured lattice structures offer a high specific strength-to-density ratio in comparison to conventional, fully dense parts. The small feature size and intricate geometry of lattice structures make it challenging to directly characterize their mechanical properties. This study presents direct measurement of the elastic mechanical properties of an additively manufactured titanium alloy octet truss unit cell. Strut stress and strain were measured using high-energy X-ray diffraction during quasi-static compressive loading. The crystallographic stress-strain relationship was converted into the stress-strain relationship of the octet truss lattice unit cell using the known symmetry of the struts. The sample studied herein was best fit by an orthorhombic linear elastic stress-strain relationship. In conclusion, this technique shows promise for studying additively manufactured lattice structures at length scales not previously reported.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Multicycle flash sintering of cubic Y 2 O 3 -stabilized ZrO 2 : An in situ energy dispersive synchrotron x-ray diffraction study with high temporal resolution

The current induced unit cell volume changes, (111) Bragg peak full width at half maximum (FWHM) and its integrated intensity in 8 % Y 2 O 3 stabilized ZrO 2 (8 %YSZ) solid state electrolyte was monitored during a triple-flash sintering experiment by in situ energy dispersive x-ray diffraction using a polychromatic synchrotron probe (max, photon energy 200 keV) with 2 second temporal resolution. The first spontaneous singularity in the unit cell volume (+0.54 %) was observed at 899 °C under 15 V/mm applied field intensity, which was associated with 13 mA/mm 2 current draw and an increase in density to 97 %. Following anelastic relaxation of the unit cell volume under open circuit conditions, the same applied field was applied twice in a row which resulted in additional induced singularities at 925 °C (+0.48 %) and 944 °C (+0.42 %). A floating baseline, which was above the thermal expansion baseline, was observed from 833 to 969 °C and was attributed to Joule heating. In conclusion, the singularity at 899 °C is associated with a sharp change in (111) FWHM and a 34 % decrease in integrated peak area that was attributed to changes in the distribution of oxygen vacancies and the changes in their concentration as induced by the applied field in the spontaneous transient stage of flash sintering.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Valence Electron Distributions from Sub-Angstrom Convergent Beam Electron Diffraction

Modern aberration-corrected scanning transmission electron microscopes can acquire four-dimensional data sets (“4D STEM”) by recording convergent beam electron diffraction (CBED) patterns, using precisely positioned, sub-angstrom probes. Here, we demonstrate that these patterns can probe the site symmetry, atomic displacements, and valence electron distributions at individual atomic columns. To this end, 4D STEM CBED patterns were acquired from SrTiO 3 single crystals and compared with patterns calculated using scattering potentials derived from density functional theory. Here, we show that an aspherical valence electron charge build-up at the oxygen sites causes intensity asymmetries in the low-angle scattering portion of the patterns. Using strained SrTiO 3 films containing subtle polar displacements within nanometer-sized domains, it is shown that the high-angle scattering portion in each pattern is sensitive to atomic displacements.

36 MATERIALS SCIENCE↗
DOE OSTI2010

Thermal equation of state of TiC: A synchrotron x-ray diffraction study

The pressure-volume-temperature measurements were carried out for titanium carbide (TiC) at pressures and temperatures up to 8.1 GPa and 1273 K using energy-dispersive synchrotron x-ray diffraction. Thermoelastic parameters were derived for TiC based on a modified high-temperature Birch-Murnaghan equation of state and a thermal pressure approach. With the pressure derivative of the bulk modulus, K{sub 0}{sup '}, fixed at 4.0, we obtain: the ambient bulk modulus K{sub 0}=268(6) GPa, which is comparable to previously reported value; temperature derivative of bulk modulus at constant pressure ({partial_derivative}K{sub T}/{partial_derivative}T){sub P}=-0.026(9) GPa K{sup -1}, volumetric thermal expansivity {alpha}{sub T}(K{sup -1})=a+bT with a=1.62(12)x10{sup -5} K{sup -1} and b=1.07(17)x10{sup -8} K{sup -2}, pressure derivative of thermal expansion ({partial_derivative}{alpha}/{partial_derivative}P){sub T}=(-3.62{+-}1.14)x10{sup -7} GPa{sup -1} K{sup -1}, and temperature derivative of bulk modulus at constant volume ({partial_derivative}K{sub T}/{partial_derivative}T){sub V}=-0.015(8) GPa K{sup -1}. These results provide fundamental thermophysical properties for TiC for the first time and are important to theoretical and computational modeling of transition metal carbides.

36 MATERIALS SCIENCE↗
DOE OSTI2010

Confocal Microscope Alignment of Nanocrystals for Coherent Diffraction Imaging

We have installed and tested an Olympus LEXT confocal microscope at the 34-ID-C beamline of the Advanced Photon Source (APS). The beamline is for Coherent X-ray Diffraction (CXD) experiments in which a nanometre-sized crystal is aligned inside a focussed X-ray beam. The microscope was required for three-dimensional (3D) sample alignment to get around sphere-of-confusion issues when locating Bragg peaks in reciprocal space. In this way, and by use of strategic sample preparations, we have succeeded in measuring six Bragg peaks from a single 200 nm gold crystal and obtained six projections of its internal displacement field. This enables the clear identification of stacking-fault bands within the crystal. The confocal alignment method will allow a full determination of the strain tensor provided three or more Bragg reflections from the same crystal are found.

43 PARTICLE ACCELERATORS↗
DOE OSTI2010

The Advanced Automation for Powder Diffraction toward Industrial Application

A highly automated system for powder diffraction with synchrotron radiation was installed on the large Debye-Scherrer camera at the BL19B2 Engineering Science Research I beamline of SPring-8. Combined with a sample transfer and an automated centering system, we have succeeded in increasing the ratio of exposure time in the user beam time to 85%. The proposed system can be applied to a wide range of industrial uses.

43 PARTICLE ACCELERATORS↗
DOE OSTI2010

Reflection high-energy electron diffraction phi scans for in situ monitoring the heteroepitaxial growth of Fe on GaN(0001) by molecular beam epitaxy

The heteroepitaxial growth of Fe films on GaN(0001) by molecular beam epitaxy is monitored in situ by reflection high-energy electron diffraction phi scans. The complex epitaxial orientation-relationship between Fe and GaN can be visualized by these phi scans already at an Fe coverage of two monolayers. By comparing the data to ex situ x-ray phi scans, we show that these measurements even allow a quantitative determination of the in-plane orientation-distribution of the heteroepitaxial film. The orientation-distribution is minimized for a growth temperature of 350 deg. C.

36 MATERIALS SCIENCE↗
DOE OSTI2010

Thermal Expansion of NANOPERM-type Alloys from In-situ X-ray Diffraction

NANOPERM-type alloys with nominal compositions of (Fe{sub 1-x}Co{sub x}){sub 76}Mo{sub 8}Cu{sub 1}B{sub 15}(x = 0 and 0.5) were prepared by a single-roller melt-spinning technique. Temperature evolution of the as-quenched ribbons during constant-rate heating (10 degree sign C/min) was continuously followed using a high-energy (88 keV) X-ray diffraction (XRD), performed on the ID11 undulator beamline at the ESRF (Grenoble, France). Moessbauer spectroscopy and XRD confirm an amorphous nature of the melt-spun ribbons. Furthermore, Moessbauer spectroscopy reveals a significant change of magnetic state of the as-quenched precursors when substituting Fe by Co (x 0.5). Analyzing a series of XRD patterns in a reciprocal space yields a thermal expansion of the amorphous alloys providing an insight about the thermally activated effects such as relaxation and crystallization.

36 MATERIALS SCIENCE↗
DOE OSTI2010

Overview of Nonintercepting Beam-Size Monitoring with Optical Diffraction Radiation

The initial demonstrations over the last several years of the use of optical diffraction radiation (ODR) as nonintercepting electron-beam-parameter monitors are reviewed. Developments in both far-field imaging and near-field imaging are addressed for ODR generated by a metal plane with a slit aperture, a single metal plane, and two-plane interferences. Polarization effects and sensitivities to beam size, divergence, and position will be discussed as well as a proposed path towards monitoring 10-micron beam sizes at 25 GeV.

43 PARTICLE ACCELERATORS↗
DOE OSTI2010

Electron Backscattered Diffraction Analysis Of Narrow Copper Interconnects In Cross-View To Investigate Scale Effect On Microstructure

In this article, we propose to use Electron Backscattered Diffraction (EBSD) to characterize microstructure of copper interconnects of thin metal level in top view and cross view. These two views give very complementary information about microstructure of copper and thus about recrystallization of copper during annealing. Moreover, for minimum width, as interconnect is two times thicker than wide; It will be easier to analyze smaller interconnect of 45 nm node technology in cross-section. We look for evolution of texture and microstructure of copper with line width in top view and in cross view. We highlight the presence of two recrystallization mechanisms and also the fact that transition from one to the other is progressive with competition of both mechanisms.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Composition and strain in thin Si{sub 1-x}Ge{sub x} virtual substrates measured by micro-Raman spectroscopy and x-ray diffraction

Micro-Raman spectroscopy was employed for the determination of the germanium content, x and strain, {epsilon}, in ultrathin SiGe virtual substrates grown directly on Si by molecular beam epitaxy. The growth of highly relaxed SiGe layers was achieved by the introduction of point defects at a very low temperature during the initial stage of growth. SiGe virtual substrates with thicknesses in the range 40-200 nm with a high Ge content (up to 50%) and degree of relaxation, r, in the range 20%-100% were investigated using micro-Raman spectroscopy and x-ray diffraction (XRD) techniques. The Ge content, x, and strain, {epsilon}, were estimated from equations describing Si-Si, Si-Ge, and Ge-Ge Raman vibrational modes, modified in this study for application to thin SiGe layers. The alteration of the experimentally derived equations from previous studies was performed using independent data for x and r obtained from XRD reciprocal space maps. A number of samples consisting of a strained-silicon (s-Si) layer deposited on a SiGe virtual substrate were also analyzed. The stress value for the s-Si varied from 0.54 to 2.75 GPa, depending on the Ge-content in the virtual substrates. These results are in good agreement with theoretically predicted values.

36 MATERIALS SCIENCE↗
DOE OSTI2010

Diffraction in time in tunneling phenomena

This paper reviews exact analytical results on diffraction in time for tunneling of a particle through an arbitrary potential of finite range. It emphasizes the essential role played by the formalism of resonant states to derive the analytical solution to the time-dependent Schroedinger equation as an initial value problem and in the analysis of the corresponding transient behavior.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Probing Martensitic Transition in Nitinol Wire: A Comparison of X-ray Diffraction and Other Techniques

Martensitic to austenite transformation in Nitinol wire can be measured by a number of techniques such as XRD (X-Ray Diffraction), DSC (Differential Scanning Calorimetry), BFR (Bend and Free Recovery) and Vickers indentation recovery. A comparison of results from these varied characterisation techniques is reported here to obtain a greater understanding of the thermal-elastic-structural changes associated with martensitic transformation. The transformation temperatures measured by DSC were found to correspond well with the structural and mechanical information obtained from XRD, BFR and Vickers indent recovery methods. Indent recovery is a relatively new and accurate method of monitoring stress induced martensitic transformations in NiTi and is one of only a few methods of stress inducing martensitic transformation in large scale samples. It is especially useful for NiTi in the as-cast billet form, where tensile testing is impossible. BFR is uniquely popular in the NiTi wire manufacturing sector and is recognised as the most accurate method of measuring the transformation temperature. Here the material is stressed to a representative in-service stress level during the test. No other test uses the shape memory effect for measuring the transformation temperature of NiTi. The results show that the DSC thermogram and XRD diffractogram have a peak overlap which is a common occurrence in NiTi that has been extensively processed. The XRD method further explains the observations in the DSC thermogram and in combination they confirm the transformation temperature.

36 MATERIALS SCIENCE↗