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162 records · Page 9
All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

Atomic force microscopy of atomic-scale ledges and etch pits formed during dissolution of quartz

The processes involved in the dissolution and growth of crystals are closely related. Atomic force microscopy (AFM) of faceted pits (called negative crystals) formed during quartz dissolution reveals subtle details of these underlying physical mechanisms for silicates. In imaging these surfaces, the AFM detected ledges less than 1 nm high that were spaced 10 to 90 nm apart. A dislocation pit, invisible to optical and scanning electron microscopy measurements and serving as a ledge source, was also imaged. These observations confirm the applicability of ledge-motion models to dissolution and growth of silicates; coupled with measurements of dissolution rate on facets, these methods provide a powerful tool for probing mineral surface kinetics.

Gratz, A. J.↗
NASA NTRS1986

Dislocation model for aseismic crustal deformation at Hollister, California

A model of crustal deformation during the interseismic phase is developed and applied (using the improved Bayesian inversion algorithm described by Jackson and Matsu'ura, 1985) to trilateration data for the USGS Hollister (CA) network. In the model, rigid blocks in motion relative to each other experience friction only in a brittle upper zone, while their ductile lower zones slide freely; the Hollister model comprises five blocks and nine rectangular fault patches. The data and results are presented in tables, graphs, and maps and characterized in detail. The model predicts steady block motion on time scales between 10 yr and 1 Myr, with net motion across the San Andreas/Calaveras fault system 38 + or - 3 mm/yr and brittle/ductile transition depths ranging from 0.4 to 11 km. Two San Andreas segments with higher probabilities of moderate-to-large earthquakes are identified.

Matsuura, Mitsuhiro↗
NASA NTRS1984

Oscillating-Crucible Technique for Silicon Growth

Technique yields better mixing of impurities and superior qualiity crystals. Accellerated motion stirs melt which reduces temperature gradients and decreases boundary layer for diffusion of impurities near growing surface. Results better mixing of impurities into melt, decrease in tendency for dendritic growth or cellular growth and crystals with low dislocation density. Applied with success to solution growth and Czochralski growth, resulting in large crystals of superior quality.

Daud, T.↗
NASA NTRS1981

The dissipation of inhomogeneous magnetic fields and the problem of coronae. I - Dislocation and flattening of flux tubes. II - The dynamics of dislocated flux

Attention is given to the dynamical dissipation arising in a magnetic field extending up through a tenuous atmosphere when an elemental flux tube in the field (1) is displaced from its equilibrium position and/or (2) is inflated by an internal fluid pressure different from the external fluid pressure. It is pointed out that as a consequence the tension in the lines of force of the ambient field flattens the dislocated tube so that the thickness of the tube decreases without limit and that the local field gradients increase rapidly with the passage of time until destroyed by one or more dissipative effects. The magnetic energy of a dislocated flux tube is therefore soon converted into thermal energy no matter how low the molecule resistivity of the fluid. Some formal illustrations of local conditions along a misaligned flux tube are presented, showing the simultaneous onset of diffusion, fluid motion, and hydromagnetic wave propagation. The examples demonstrate that the total effect is complicated and subject only to estimation, rather than formal calculation, at the present time.

Parker, E. N.↗
NASA NTRS1996

Transient Creep of a Composite Lower Crust: A Polymineralic Basis for Rapidly Evolving Postseismic Deformation Modes - 2

Postseismic horizontal strain and displacement following the June 28, 1992, Landers, California, earthquake (M(sub W) 7.3) is broad scale and cannot be explained solely by delayed afterslip located at the rupturing fault trace. Both the observed strain at Pifion Flat Observatory (PFO) and observed Global Positioning System receiver velocities evolve rapidly after the Landers-Big Bear earthquake sequence. The observed exponential decay of these motions, with timescales of 4-34 days, may reflect a soft creep rheology in the lower crust and brittle-ductile transition zone or even within the seismogenic crust itself. Here a simple model of a two-dimensional screw dislocation in a layered Maxwell viscoelastic Earth is employed in conjunction with a composite rheology to demonstrate that the short timescale transient response modes (approx. = 4-34 days) are consistent with the behavior of a biviscous lower crust. The lowest viscosity of this system is derivable from laboratory experimental data on the long-term creep of natural quarztites, and the highest viscosity is consistent with isostasy-related lower crustal flow in a continental extensional tectonic environment. The model predicts significant stress relaxation at the base of the seismogenic crust. Near the base of the seismogenic zone, and about 4 km away from the mainshock, the rate of predicted relaxation is of the order of 0.01 MPa/ d during the first 20 days of postseismic flow. Oblate spheroidal inclusions at 5% concentration levels that are both aligned and fairly flat in shape and that have a viscosity of 3-4 x 10(exp 15) Pa s are consistent with both the amplitude and decay time of horizontal crustal strain observed at PFO after the Landers mainshock. It is speculated that the structures exposed in cross sections and in seismic reflection profiles of the lower crust that have mylonitic associations are, in part, the cause of such rapid postseismic evolution in southeastern California. Unmylonitized quartz-rich rock at sufficiently elevated temperatures could also contribute to the rapid decay modes.

Ivins, Erik R.↗
NASA NTRS1991

Statistical description of tectonic motions

The behavior of stochastic processes was studied whose power spectra are described by power-law behavior. The details of the analysis and the conclusions that were reached are presented. This analysis was extended to compare detection capabilities of different measurement techniques (e.g., gravimetry and GPS for the vertical, and seismometers and GPS for horizontal), both in general and for the specific case of the deformations produced by a dislocation in a half-space (which applies to seismic of preseismic sources). The time-domain behavior of power-law noises is also investigated.

Agnew, Duncan Carr↗
NASA NTRS2012

Simplex GPS and InSAR Inversion Software

Changes in the shape of the Earth's surface can be routinely measured with precisions better than centimeters. Processes below the surface often drive these changes and as a result, investigators require models with inversion methods to characterize the sources. Simplex inverts any combination of GPS (global positioning system), UAVSAR (uninhabited aerial vehicle synthetic aperture radar), and InSAR (interferometric synthetic aperture radar) data simultaneously for elastic response from fault and fluid motions. It can be used to solve for multiple faults and parameters, all of which can be specified or allowed to vary. The software can be used to study long-term tectonic motions and the faults responsible for those motions, or can be used to invert for co-seismic slip from earthquakes. Solutions involving estimation of fault motion and changes in fluid reservoirs such as magma or water are possible. Any arbitrary number of faults or parameters can be considered. Simplex specifically solves for any of location, geometry, fault slip, and expansion/contraction of a single or multiple faults. It inverts GPS and InSAR data for elastic dislocations in a half-space. Slip parameters include strike slip, dip slip, and tensile dislocations. It includes a map interface for both setting up the models and viewing the results. Results, including faults, and observed, computed, and residual displacements, are output in text format, a map interface, and can be exported to KML. The software interfaces with the QuakeTables database allowing a user to select existing fault parameters or data. Simplex can be accessed through the QuakeSim portal graphical user interface or run from a UNIX command line.

Donnellan, Andrea↗
NASA NTRS1986

Crustal deformation in great California earthquake cycles

Periodic crustal deformation associated with repeated strike slip earthquakes is computed for the following model: A depth L (less than or similiar to H) extending downward from the Earth's surface at a transform boundary between uniform elastic lithospheric plates of thickness H is locked between earthquakes. It slips an amount consistent with remote plate velocity V sub pl after each lapse of earthquake cycle time T sub cy. Lower portions of the fault zone at the boundary slip continuously so as to maintain constant resistive shear stress. The plates are coupled at their base to a Maxwellian viscoelastic asthenosphere through which steady deep seated mantle motions, compatible with plate velocity, are transmitted to the surface plates. The coupling is described approximately through a generalized Elsasser model. It is argued that the model gives a more realistic physical description of tectonic loading, including the time dependence of deep slip and crustal stress build up throughout the earthquake cycle, than do simpler kinematic models in which loading is represented as imposed uniform dislocation slip on the fault below the locked zone.

Li, Victor C.↗
DOE OSTI2024

Thermodynamic and Kinetic Modulation of Methylammonium Lead Bromide Crystallization Revealed by In Situ Monitoring

Hybrid organic–inorganic perovskite (HOIP) crystals are promising optoelectronic materials, but little is known about either the thermodynamic and kinetic controls on crystal growth or the underlying growth mechanism(s). Herein, we use fluid cell atomic force microscopy (AFM) and solution nuclear magnetic resonance (NMR) spectroscopy to investigate growth of the model HOIP crystal CH 3 NH 3 PbBr 3 (MAPbBr 3 ) and to determine how formic acid (HCOOH) modulates the thermodynamics and kinetics of growth. The results show that growth of MAPbBr 3 in dimethylformamide (DMF) proceeds through the classical pathway by the spreading of atomic crystal steps generated at screw dislocations on the {100} surface. Temperature dependent step velocity measurements demonstrate that with increasing concentration, HCOOH decreases both the solubility of MAPbBr 3 and the kinetic coefficient (b) of step movement. 1 H-NMR measurements indicate that HCOOH increases the lifetime of the methylammonium (MA + ) ions and promotes the association of MAPbBr 3 , thus tuning the solubility of the perovskite. HCOOH also alters the molecular tumbling motion and bulk diffusion of the MA + ions, possibly via H-bonding. Further, our findings establish a direct correlation between the mesoscale crystal growth kinetics and the molecular-scale interactions between organic additives and constituent ions, providing unprecedented insights for developing predictive syntheses of HOIP crystals with defined size, crystal habit and shape, and defect distribution.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Shallow Aseismic Slip in the Delaware Basin Determined by Sentinel-1 InSAR

The Delaware Basin, Texas is currently a hot-spot of induced seismicity and ground deformation due to fluid extraction and injection associated with horizontal drilling techniques; however, the driving mechanism behind the seismicity and deformation remains under debate. Here, using vertical and east-west horizontal surface deformation measurements derived from Sentinel-1 interferometric synthetic aperture radar (InSAR), we show that the subsurface responds differently to oil and gas activity in the northern and southeastern portions of the basin. In the north, where there is little seismicity, deformation patterns display long-wavelengths and equidimensional patterns. In contrast, the southeast region hosts most of the seismicity and displays spatial deformation patterns with narrow linear features that strike parallel to the maximum principal horizontal stress and to trends in seismicity, suggesting movement along normal faults. We model a linear deformation feature using edge dislocations and show that the InSAR observations can be reproduced by slip on normal faults contained within the Delaware Mountain Group (DMG), the formation that hosts local wastewater injection and the majority of earthquakes. Our model consists of three parallel, high-angle normal faults, with two dipping toward one another in a graben structure. Slip magnitudes reach up to 25 cm and are spatially correlated with injection wells. Measured seismicity can only explain ~2% of the fault motion predicted by our fault model, suggesting that slip leading to the deformation is predominantly aseismic. We conclude that seismic and aseismic fault motion in the southeastern Delaware Basin is likely driven by wastewater injection near critically-stressed normal faults within the DMG.

58 GEOSCIENCES↗
DOE OSTI2025

Atomic-Scale Tracking of Topological Defect Motion and Incommensurate Charge Order Melting

Charge order pervades the phase diagrams of quantum materials where it competes with superconducting and magnetic phases, hosts electronic phase transitions and topological defects, and couples to the lattice generating intricate structural distortions. Incommensurate charge order is readily stabilized in manganese oxides, where it is associated with anomalous electronic and magnetic properties, but its nanoscale structural inhomogeneity complicates precise characterization and understanding of its relationship with competing phases. Leveraging atomic-resolution variable-temperature cryogenic scanning transmission electron microscopy, we characterize the thermal evolution of charge order as it transforms from its ground state in a model manganite system. We find that mobile networks of discommensurations and dislocations generate phase inhomogeneity and induce global incommensurability in an otherwise lattice-locked modulation. Driving the order to melt at high temperatures, the discommensuration density grows, and regions of order locally decouple from the lattice periodicity. Published by the American Physical Society 2025

Schnitzer, Noah (ORCID:0000000210421146)↗
DOE OSTI2023

The effect of secondary phases on microstructure and irradiation damage in an as-built additively manufactured 316 L stainless steel with a hafnium compositional gradient

Additive manufacturing (AM) or rapid prototyping has become a crucial tool for reducing both cost and time while increasing efficiency in qualifying structural materials for reactor use. In this study, directed energy deposition (DED) was used to develop an as-built 316 L stainless steel sample with three regions of increasing Hf-dopant to study the effects of Hf on the irradiation response of the material. Morphological and microstructural changes were analyzed before and after 2 MeV proton irradiation at 360 °C to a damage of 2.5 dpa at ~ 10 µm below the surface. The addition of Hf effectively suppressed radiation-induced damage (dislocation loops, radiation-induced segregation) due to enhanced point defect recombination. The radiation damage seen in the as-built sample was further compared to a thermo-mechanically treated counterpart of the same fabrication and irradiation parameters which was found to behave superiorly. In conclusion, the increased radiation resistance of this material may be attributed to the as-built microstructure, which includes undissolved Hf particles, delta ferrite grains and cellular sub-grain boundaries that can hinder defect motion.

316L Stainless Steel↗
DOE OSTI2024

Approach and rotation of reconnecting topological defect lines in liquid crystal

Topological defects are a universal concept across many disciplines, such as crystallography, liquid-crystalline physics, low-temperature physics, cosmology, and even biology. In nematic liquid crystals, topological defects called disclinations have been widely studied. For their three-dimensional (3D) dynamics, however, only recently have theoretical approaches dealing with fully 3D configurations been reported. Further, recent experiments have observed 3D disclination line reconnections, a phenomenon characteristic of defect line dynamics, but detailed discussions were limited to the case of approximately parallel defects. In this paper, we focus on the case of two disclination lines that approach at finite angles and lie in separate planes, a more fundamentally 3D reconnection configuration. Observing and analyzing such reconnection events, we find the square-root law of the distance between disclinations and the decrease of the interdisclination angle over time. We compare the experimental results with theory and find qualitative agreement on the scaling of distance and angle with time, but quantitative disagreement on distance and angle relative mobilities. To probe this disagreement, we derive the equations of motion for systems with reduced twist constant and also carry out simulations for this case. These, together with the experimental results, suggest that deformations of disclinations may be responsible for the disagreement. Published by the American Physical Society 2024

36 MATERIALS SCIENCE↗
DOE OSTI2020

The effects of stress, temperature and facet structure on growth of { 10 1 ¯ 2 } twins in Mg: a molecular dynamics and phase field study

The present study focuses on the roles of structure, stress and temperature on the mobility of facets bounding twin domains and on the overall impact on the growth kinetics of { 10 1 ¯ 2 } twins in Mg. We first use molecular dynamics simulations (MD) to study the relationship between interface structures, stress, temperature and mobility. As facets can exhibit distinct atomic scale structures, we also quantify the effect of stress relaxation mediated by misfit dislocations on the mobility of the basal-prismatic interface. The information gathered for ten different facets is used to calibrate an anisotropic phase field model predicting the effects of temperature and stress on the kinetics and shape of a growing { 10 1 ¯ 2 } 3D twin, by comparison with MD data. The comparative analysis suggests that, as compared to simulations of individual facets, the effective mobility of facets can be significantly different during growth of a 3D twin. This can be attributed to the complex three-dimensional internal stress state of the twin and to coupling in facet motion triggered by facet junctions. As such, by directly fitting both the twin growth kinetics and morphology as predicted by MD for different stresses and temperatures, we can identify a limited set of rate-limiting facets that control twin growth and morphology, and measure their effective mobility.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Selenium Migration and Local Structures in Cu‐Doped CdSeTe Solar Cells after Aging

Selenium grading plays a critical role in state-of-the-art Cadmium Telluride photovoltaic cells by enhancing long-wavelength absorption and extending minority carrier lifetimes —key to enabling the current performance record of 23.08%. However, very little is understood about selenium motion. In this study, a comprehensive, multimodal, and multiscale approach is employed to investigate Se migration and local structural changes in copper (Cu)-doped CdSeTe solar cells subjected to accelerated stress. X-ray fluorescence (XRF) microscopy shows unexpected levels of Se diffusion after 500 h under heat (75°C) and light (0.8 suns, 80 mW/cm 2 ), suggesting the coexistence of fast and slow diffusion channels even at low temperatures, with unexpectedly low activation energies (<0.85 eV). X-ray Absorption Near Edge Structure (XANES) analysis indicates a preferential migration of Se atoms to anionic lattice sites and a reduction in Se-Cl co-passivation at Te-terminated dislocation cores. Furthermore, these findings point to a reconfiguration of Se local environments and highlight the potential role of extended structural defects in enabling Se transport at low temperatures. Additionally, XANES results suggest that the presence of metallic Cu across the absorber layer may contribute to back-contact degradation and reduced hole density in both fresh and aged devices.

14 SOLAR ENERGY↗
DOE OSTI2023

Degradation of electrical resistivity of tungsten following shielded neutron irradiation

A major challenge for heat transfer in nuclear materials is to ensure thermal mobility after high amounts of neutron irradiation. Tungsten is widely selected as a heat transfer material in fusion reactors. In metals, thermal conductivity is dominated by electrons’ ability to transfer energy. Neutron irradiation generates point defects, clusters, and solid transmutation (e.g.rhenium and osmium in tungsten), which inhibit electron motion. The purpose of this work is to quantify the irradiation-induced change in electron mobility and deconvolute transmutation and microstructural effects on observed changes to electron mobility. Single and polycrystalline tungsten were fast neutron irradiated in the High Flux Isotope Reactor at Oak Ridge National Laboratory to doses between 0.2 and 0.7 displacements per atom (dpa) and temperatures from 500 °C to 1000 °C. Grain growth was observed in all samples. Microstructure and transmutation were quantified. The geometric orientation of samples with elongated grains has been shown to affect electrical resistivity. A mathematical model was developed and used to deconvolute solid-solution transmutation, grain, and temperature-dependent lattice effects on resistivity. At ~0.4 dpa at ~590 °C, the combined resistivity degradation due to voids, vacancies, interstitials, and dislocations is estimated to be greater than the contribution from solid solution Re transmutation, which is greater than the contribution from grain boundaries. At doses of ~0.7 dpa at ~750 °C, solid solution Re contributions are greater than all other effects combined. As a result, this work establishes a basis to predict the effects of irradiation temperature and transmutation on thermal properties of tungsten and highlights the importance of irradiation temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Dislocation content of grain boundary phase junctions and its relation to grain boundary excess properties

In this work, we analyze the dislocation content of grain boundary (GB) phase junctions, i.e., line defects separating two different GB phases coexisting on the same GB plane. While regular GB disconnections have been characterized for a variety of interfaces, GB phase junctions formed by GBs with different structures and different numbers of excess atoms have not been previously studied. We apply a general Burgers circuit analysis to calculate the Burgers vectors b of junctions in two Σ5 Cu boundaries previously simulated with molecular dynamics. The Burgers vectors of these junctions cannot be described by the displacement shift complete (DSC) lattice alone. We show that, in general, the normal component of b is not equal to the difference in the GB excess volumes but contains another contribution from the numbers of GB atoms per unit area ΔN* required to transform one GB phase into another. In the boundaries studied, the latter component dominates and even changes the sign of b. We derive expressions for the normal and tangential components of b in terms of the DSC lattice vectors and the non-DSC part due to ΔN* and additional GB excess properties, including excess volume and shears. These expressions provide a connection between GB phase transformations driven by the GB free energy difference and the motion of GB junctions under applied normal and shear stresses. The proposed analysis quantifies b and therefore makes it possible to calculate the elastic part of the energy of these defects, evaluate their contribution to the nucleation barrier during GB phase transformations, and treat elastic interactions with other defects.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1998

New AFM Techniques for Investigating Molecular Growth Mechanisms of Protein Crystals

Atomic Force Microscopy (AFM) has emerged as a powerful technique for investigating protein crystal growth. Earlier AFM studies were among the first to demonstrate that these crystals grew by dislocation and 2D nucleation growth mechanisms [1]. These investigations were restricted to the micron range where only surface features, such as dislocation hillocks and 2D islands are visible. Most AFM instruments can scan at higher resolutions and have the potential to resolve individual protein molecules at nanometer ranges. Such scans are essential for determining the molecular packing arrangements on crystal faces and for probing the growth process at the molecular level. However, at this resolution the AFM tip influences the image produced, with the resulting image being a convolution of the tip shape and the surface morphology [2]. In most studies this problem is resolved by deconvoluting the image to obtain the true surface morphology. Although deconvolution routines work reasonably well for simple one- dimensional shapes, for complex surfaces this approach does not produce accurate results. In this study we devised a new approach which takes advantage of the precise molecular order of crystal surfaces, combined with the knowledge of individual molecular shapes from the crystallographic data of the protein and the AFM tip shape. This information is used to construct expected theoretical AFM images by convoluting the tip shape with the constructed crystal surface shape for a given surface packing arrangement. By comparing the images from actual AFM scans with the constructed ones for different possible surface packing arrangements, the correct packing arrangement can be conclusively determined. This approach was used in this study to determine the correct one from two possible packing arrangements on (I 10) faces of tetragonal lysozyme crystals. Another novel AFM technique was also devised to measure the dimension of individual growth units of the crystal faces. Measuring these units was not attempted before and most studies have assumed that the growth unit consisted of individual protein molecules. The linescan mode of AFM instruments allows the crystal surface to be scanned along a single line. By scanning across a growth step an image showing the motion of the step is obtained. Normally such an image shows a straight line for continuous and constant step velocity. In this study by increasing the scan rate and by decreasing the step velocity (by decreasing the supersaturation), we were able to capture images of individual growth events, shown by jump discontinuities in the step line. By suitable integration of the image the growth unit dimension in the scanned direction can be obtained. Since multiple units can be involved in the growth process it is necessary to collect a statistically relevant sample before drawing conclusions about the growth mechanism. This technique was successfully employed to obtain the dimensions of growth units for the (110) face, showing that they consisted of various aggregates corresponding to the 43 helices in the crystal structure.

Li, Huayu↗