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Specht, Eliot D

Publications and source records attributed to Specht, Eliot D.

16 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Nanoscale structure in AgSbTe2 determined by diffuse elastic neutron scattering

Diffuse elastic neutron scattering measurements confirm that AgSbTe2 has a hierarchical structure, with defects on length scales from nanometers to microns. While scattering from mesoscale structure is consistent with previously-proposed structures in which Ag and Sb order on a NaCl lattice, more diffuse scattering from nanoscale structure suggests a structural rearrangement in which hexagonal layers form a combination of (ABC), (ABA), and (AAB) stacking sequences. The AgCrSe2 structure is the best-fitting model for the local atomic arrangements.

Specht, Eliot D↗
DOE OSTI2014

Phonon localization drives polar nanoregions in a relaxor ferroelectric

Relaxor ferroelectrics1, which are utilized as actuators and sensors2-4, exemplify a class of poorly understood materials where interplay between disorder and phase instability results in inhomogeneous nanoregions. There is no definitive explanation for the onset of relaxor behavior (Burns temperature5, Td) or the origin of polar nanoregions (PNRs). Here we show a vibrational mode that localizes on cooling to Td, remains localized as PNRs form, and then delocalizes as PNRs grow using neutron scattering on relaxor (Pb(Mg1/3Nb2/3)O3)0.69-(PbTiO3)0.31 (PMN-31%PT). Although initially appearing like intrinsic local modes (ILMs)6-10, these modes differ below Td as they form a resonance with the ferroelectric phonon. At the resonance, nanoregions of standing ferroelectric phonons develop with a coherence length matching the PNRs. The size, shape, distribution, and temporal fluctuations of PNRs, and our observations, are explained by ferroelectric phonons trapped by disordered resonance modes via Anderson localization11-13. Our results show the size and shape of PNRs are not dictated by complex structural details, as always assumed, but by a phonon resonance wavevector. This simplification could guide the design of next generation relaxors.

Manley, Michael E↗
DOE OSTI2014

Neutron Scattering Investigation of Phonon Scattering Rates in Ag1-xSb1+xTe2+x (x = 0, 0.1, and 0.2)

The phonon dispersions and scattering rates of the thermoelectric material AgSbTe$_{2}$ were measured as a function of temperature with inelastic neutron scattering. The results show that phonon scattering rates are large and weakly dependent on temperature. The lattice thermal conductivity was calculated from the measured phonon lifetimes and group velocities, providing good agreement with bulk transport measurements. The measured phonon scattering rates and their temperature dependence are compared with models of phonon scattering by anharmonicity and point defect. We find that these processes cannot account for the large total phonon scattering rates observed, and their lack of temperature dependence. Neutron and synchrotron diffraction measurements on single crystals revealed an extensive nanostructure from cation ordering, which is likely responsible for the strong phonon scattering.

Abernathy, Douglas L↗
DOE OSTI2014

EMERGING CAPABILITIES FOR MATERIALS CHARACTERIZATION WITH POLYCHROMATIC MICRODIFFRACTION8

Polychromatic microdiffraction is an emerging tool for mapping local crystal structure with submicron three-dimensional resolution. The method is sensitive to the local crystal phase, crystallographic orientation, elastic strain, and lattice curvature. For many materials it is also nondestructive, which allows for unique experiments that probe how particular structural configurations evolve during processing and service. This capability opens up the possibility of testing and guiding theories without the limitations imposed by destructive techniques, surface-limited measurements or ensemble averages. This new capability will impact long-standing issues of materials science ranging from the factors that control anisotropic materials deformation to factors that influence grain growth, grain boundary migration, electromigration and stress driven materials evolution. Such mesoscopic phenomena are at the heart of virtually all materials processing and form the basis for modern materials engineering. Here we describe the state-of-the-art, and discuss new instrumentation with the promise of better sensitivity and better real and reciprocal space resolution. Example science and future research opportunities are described.

Ice, Gene E↗
DOE OSTI2012

In-Situ X-Ray Diffraction Observations of Low Temperature Ag-Nanoink Sintering and High Temperature Eutectic Reaction with Copper

Nanoinks, which contain nm sized metallic particles suspended in an organic dispersant fluid, are finding numerous microelectronic applications. Nanoinks sinter at much lower temperatures than bulk metals due to their high surface area to volume ratio and small radius of curvature, which reduces their melting points significantly below their bulk values. The unusually low melting and sintering temperatures have unique potential for materials joining since their melting points increase dramatically after initial sintering. In this paper Ag nanoink is studied using in-situ synchrotron based x-ray diffraction to follow the kinetics of the initial sintering step by analysis of diffraction patterns, and to directly observe the high remelt temperature of sintered nanoinks. Ag nanoink is further explored as a possible eutectic bonding medium with copper by tracking phase transformations to high temperatures where melting occurs at the Ag-Cu eutectic temperature, demonstrating nanoinks as a viable eutectic bonding medium.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Mesoscale Modeling and Validation of Texture Evolution during Asymmetric Rooling and Static Recrystallization of Magnesium Alloy AZ31B

The focus of the present research is to develop an integrated deformation and recrystallization model for magnesium alloys at the microstructural length scale. It is known that in magnesium alloys nucleation of recrystallized grains occurs at various microstructural inhomogeneities such as twins and localized deformation bands. However, there is a need to develop models that can predict the evolution of the grain structure and texture developed during recrystallization and grain growth, especially when the deformation process follows a complicated deformation path such as in asymmetric rolling. The deformation model is based on a crystal plasticity approach implemented at the length scale of the microstructure that includes deformation mechanisms based on dislocation slip and twinning. The recrystallization simulation is based on a Monte Carlo technique that operates on the output of the deformation simulations. The nucleation criterion during recrystallization is based on the local stored energy and the Monte Carlo technique is used to simulate the growth of the nuclei due to local stored energy differences and curvature. The model predictions are compared with experimental data obtained through electron backscatter analysis and neutron diffraction.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Microbeam, timing and signal-resolved studies of nuclear materials with synchrotron X-ray sources

The development of ultra-brilliant synchrotron X-ray sources enables characterization methods that are particularly important for nuclear materials. Here we discuss emerging synchrotron methods with unprecedented signal-to-noise, spatial and time resolution. Microprobe methods are discussed that extend virtually any X-ray characterization measurement to ultra-small sample volumes. This ability is critical to resolve heterogeneities in nuclear materials and for studies on volumes with vastly lower activity than are needed for traditional X-ray characterization. Specific methods discussed include microdiffraction for the characterization of local crystal structure and micro-spectroscopy techniques that allow for characterization of elemental distributions with sensitivity for daughter products, oxidation states and diffusion through buffer layers. Opportunities are also discussed that exploit the high brilliance and pulsed nature of synchrotron radiation to reduce backgrounds from sample radiation and to study materials dynamics.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Spectroscopic refractive indices of monoclinic single crystal and ceramic Lutetium oxyorthosilicate (LSO) from 200 to 850 nm

The four real values of the dielectric function tensor of the monoclinic crystal Lu2SiO5 or lutetium oxyorthosilicate (LSO) have been determined using generalized ellipsometry from 200 to 850 nm. The three principal values are fit to the Sellmeier model, and they indicate that the band gap of LSO is less than ~9 eV. The off-diagonal element 12 is non-zero over the entire spectrum, but it is very close to zero for wavelengths longer than ~400 nm, indicating that structurally monoclinic LSO is nearly optically orthorhombic in this wavelength region. The spectroscopic dielectric functions of three isotropic ceramic LSO samples are presented, which are consistent with the dielectric functions of single-crystal LSO when the effects of porosity are included. As a comparison, the dielectric functions are also determined using relativistic electronic structure and optical calculations based on the recently developed potential functional of Tran and Blaha (Phys. Rev. Lett. 102, 226401 (2009).)

Jellison, Jr, Gerald Earle↗
DOE OSTI2012

Phase stability of cubic pyrochlore rare earth tantalate pinning additives in YBa2Cu3O7- superconductor

Phase stability of cubic-pyrochlore-structured RE3TaO7 (RTO, where RE = rare earth elements) pinning additives in YBa2Cu3O7- (YBCO) superconductor and the pinning properties influenced by RTO addition into YBCO films were investigated. RTO completely reacts with YBCO and is converted to cubic-double-perovskite-structured Ba2RETaO6 (BRETO), a more thermodynamically stable tantalate phase within YBCO. In RTO-doped YBCO films, BRETO self-assembled nanocolumnns align along the c-axis of the film and play a major role in the improvement of flux pinning and Jc performance over wide magnetic field and angular ranges.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

Novel tri-modal defect structure in Nb-doped MOCVD YBa2Cu3O7: A paradigm for pinning landscape control

Immobilization of vortices, or flux pinning, is both an enduring scientific issue and one of the most important problems in optimizing high temperature superconductors (HTS) for commercial use. Here, we demonstrate a practical approach to the creation of a multi-modal flux pinning landscape in YBa2Cu3O7 (YBCO) films employing an industrially scalable metal organic chemical vapor deposition technique. Through controlled additions of Nb, we have achieved a novel distribution of crystallographic defects that immobilize (pin) vortices in the YBCO matrix. That is, with only the addition of a single dopant element, a tri-modal defect structure that threads through the YBCO matrix laterally (parallel to the ab planes of YBCO), vertically (parallel to the YBCO c-axis), and isotropically in the form of random spherical defects is induced. For optimally doped samples, the influence of these multi-modal nanocrystalline defect structures on the flux pinning properties manifests itself as a superior improvement in the critical current density (Jc) for all magnetic field orientations. The results demonstrate the possibility of achieving an ideal flux pinning landscape (from an orientation and strength viewpoint), which permits the design of HTS wires with fully-tuneable properties by processes suitable for large-scale manufacturing.

Aytug, Tolga↗