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244 records · Page 14

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DOE OSTI2018

A continuum dislocation-based model of wedge microindentation of single crystals

Recent Electron Backscatter Diffraction (EBSD) experiments have revealed the emergence of heterogeneous dislocation microstructures forming under a wedge indenter in fcc crystals, where micro-meter dislocation patterns challenge the predictions of traditional models of plasticity. In order to explain the formation of these features and develop a relationship between the force-displacement curve and the dislocation substructure, here we present a model of wedge indentation based on the continuum theory of dislocations. The model accounts for large deformation kinematics through the multiplicative split of the deformation gradient tensor, where the incompatible plastic component of deformation results from the flux of dislocations on different and interacting slips systems. Constitutive equations for dislocation fluxes are determined from a dissipative variational principle. As a result, each dislocation density satisfies an initial-boundary value problem with convective-diffusive character, which is coupled to the macroscopic stress and displacement fields governing the deformation process. Solution to the self-consistent continuum formulation is found using the finite element method. Computer simulations mimic the experimental conditions of wedge micro-indentation experiments into Ni single-crystals used by Kysar et al. (2010a). A comparison of overall dislocation density distribution and macroscopic mechanical response shows good overall agreement with the experimental results in terms of the detailed features of dislocation patterns and lattice rotations as well as the macroscopic force-displacement response.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Diagnostics, Control and Performance Parameters for the BELLA High Repetition Rate Petawatt Class Laser

A laser system producing controllable and stable pulses with high power and ultrashort duration at high repetition rate is a key component of a high energy laser-plasma accelerator (LPA). Precise characterization and control of laser properties are essential to understanding laser-plasma interactions required to build a 10-GeV class LPA. This study discusses the diagnostics, control and performance parameters of a 1 Hz, 1 petawatt (PW) class laser at the Berkeley Lab Laser Accelerator (BELLA) facility. The BELLA PW laser provided up to 46 J on target with a 1% level energy fluctuation and 1.3-μrad pointing stability. The spatial profile was measured and optimized by using a camera, wavefront sensor, and deformable mirror (ILAO system). The focus waist was measured to be r 0 = 53 μm and the fraction of energy within the circular area defined by the first minimum of the diffraction pattern (r = 67 μm) was 0.75. The temporal profile was controlled via the angle of incidence on a stretcher and a compressor, as well as an acousto-optic programmable dispersive. The temporal pulse shape was measured to be about 33 fs in full width at half maximum (WIZZLER and GRENOUILLE diagnostics). In order to accurately evaluate peak intensity, the energy-normalized peak fluence, and energy-normalized peak power were analyzed for the measured spatial and temporal mode profiles, and were found to be 15 kJ/(cm 2 J) with 6% fluctuation (standard deviation) and 25 TW/J with 5% fluctuation for 46-J on-target energy, respectively. This yielded a peak power of 1.2 PW and a peak intensity of 17×10 18 W/cm 2 with 8% fluctuation. A method to model the pulse shape for arbitrary compressor grating distance with high accuracy was developed. The pulse contrast above the amplified spontaneous emission pedestal was measured by SEQUOIA and found to be better than 10 9 . The first order spatiotemporal couplings (STCs) were measured with GRENOUILLE, and a simulation of the pulse's evolution at the vicinity of the target was presented. A maximum pulse front tilt angle of less than 7 mrad was achieved. The reduction of the peak power caused by the first order STCs was estimated to be less than 1%. Finally, the capabilities described in this paper are essential for generation of high quality electron beams.

47 OTHER INSTRUMENTATION↗

DOE OSTI2021

Localized strain profile in surface electrode array for programmable composite multiferroic devices

In this work, we investigate localized in-plane strains on the microscale, induced by arrays of biased surface electrodes patterned on piezoelectrics. Particular focus is given to the influence that adjacent electrode pairs have on one another to study the impact of densely packed electrode arrays. We present a series of X-ray microdiffraction studies to reveal the spatially resolved micrometer-scale strain distribution. The strain maps with micrometer-scale resolution highlight how the local strain profile in square regions up to 250 x 250 lm 2 in size is affected by the surface electrodes that are patterned on ferroelectric single-crystal [Pb(Mg 1/3 Nb 2/3 )O 3 ] x -[PbTiO 3 ] 1-x . The experimental measurements and simulation results show the influence of electrode pair distance, positioning of the electrode pair, including the angle of placement, and neighboring electrode pair arrangements on the strength and direction of the regional strain. Our findings are relevant to the development of microarchitected strain-mediated multiferroic devices. The electrode arrays could provide array-addressable localized strain control for applications including straintronic memory, probabilistic computing platforms, microwave devices, and magnetic-activated cell sorting platforms.

42 ENGINEERING↗

DOE OSTI2016

Sintering time effect on crystal structure and magnetic properties of Bi{sub 0.8}La{sub 0.2}FeO{sub 3} multiferroics

Effect of sintering time over the structure and magnetic properties has been studied in Bi{sub 0.8}La{sub 0.2}FeO{sub 3} multiferroic ceramics prepared by solid state reaction technique. The structure changes with the advent mixed phase rhombohedral and orthorhombic symmetry to immaculate orthorhombic structure with sintering time from 2 to 3 hour, as revealed by means of the simulation of XRD patterns via Rietveld analysis through FullProf software. The M – H plots depict decent enhancement in magnetization with values of remnant magnetization (Mr) from 0.01868emu/g to 0.09357emu/g while the sintering time is varied from 2 to 3 hour. The metamagnetic transition may be attributed to the crumpling of the modulated spin cycloid existing inherently in the pristine compound. The presented study may have considerable impact in commercial as well as advanced electronic applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2015

Anomalous small-angle X-ray scattering of nanoporous two-phase atomistic models for amorphous silicon–germanium alloys

The present work deals with a detailed analysis of the anomalous small-angle X-ray scattering in amorphous silicon–germanium alloy using the simulation technique. We envisage the nanoporous two-phase alloy model consisting in a mixture of Ge-rich and Ge-poor domains and voids at the nanoscale. By substituting Ge atoms for Si atoms in nanoporous amorphous silicon network, compositionally heterogeneous alloys are generated with various composition-contrasts between the two phases. After relaxing the as-generated structure, we compute its radial distribution function, and then we deduce by the Fourier transform technique its anomalous X-ray scattering pattern. Using a smoothing procedure, the computed X-ray scattering patterns are corrected for the termination errors due to the finite size of the model, allowing so a rigorous quantitative analysis of the anomalous small-angle scattering. Our simulation shows that, as expected, the anomalous small-angle X-ray scattering technique is a tool of choice for characterizing compositional heterogeneities coexisting with structural inhomogeneities in an amorphous alloy. Furthermore, the sizes of the compositional nanoheterogeneities, as measured by anomalous small-angle X-ray scattering technique, are X-ray energy independent. A quantitative analysis of the separated reduced anomalous small-angle X-ray scattering, as defined in this work, provided a good estimate of their size.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Evidence of non-isentropic release from high residual temperatures in shocked metals measured with ultrafast x-ray diffraction

Shock experiments are widely used to understand the mechanical and electronic properties of matter under extreme conditions. However, after shock loading to a Hugoniot state, a clear description of the post-shock thermal state and its impacts on materials is still lacking. We used diffraction patterns from 100-fs x-ray pulses to investigate the temperature evolution of laser-shocked Al–Zr metal film composites at time delays ranging from 5 to 75 ns driven by a 120-ps short-pulse laser. We found significant heating of both Al and Zr after shock release, which can be attributed to heat generated by inelastic deformation. A conventional hydrodynamic model that employs (i) typical descriptions of Al and Zr mechanical strength and (ii) elevated strength responses (which might be attributed to an unknown strain rate dependence) did not fully account for the measured temperature increase, which suggests that other strength-related mechanisms (such as fine-scale void growth) could play an important role in thermal responses under shock wave loading/unloading cycles. Our results suggest that a significant portion of the total shock energy delivered by lasers becomes heat due to defect-facilitated plastic work, leaving less converted to kinetic energy. This heating effect may be common in laser-shocked experiments but has not been well acknowledged. High post-shock temperatures may induce phase transformation of materials during shock release. Another implication for the study is the preservability of magnetic records from planetary surfaces that have a shock history from frequent impact events.

42 ENGINEERING↗

DOE OSTI2021

Synthesis of magnesiowüstite nanocrystallites embedded in an amorphous silicate matrix via low energy multiple ion implantations

The synthesis process is presented for experimentally simulating modifications in cosmic dust grains using sequential ion implantations or irradiations followed by thermal annealing. Cosmic silicate dust analogues were prepared via implantation of 20–80 keV Fe - , Mg - , and O - ions into commercially available p-type silicon (100)wafers. The as-implanted analogues are amorphous with a Mg/(Fe+Mg) ratio of 0.5 tailored to match theoretical abundances in circumstellar dusts. Before the ion implantations were performed, Monte-Carlo-based ion-solid interaction codes were used to model the dynamic redistribution of the implanted atoms in the silicon substrate. 600 keV helium ion irradiation was performed on one of the samples before thermal annealing. Two samples were thermally annealed at a temperature appropriate for an M-class stellar wind, 1000 K, for 8.3 h in a vacuum chamber with a pressure of 1 x 10 -7 torr. The elemental depth profiles were extracted utilizing Rutherford Backscattering Spectrometry (RBS) in the samples before and after thermal annealing. X-ray diffraction (XRD)analysis was employed for the identification of various phases in crystalline minerals in the annealed analogues. Transmission electron microscopy (TEM) analysis was utilized to identify specific crystal structures. RBS analysis shows redistribution of the implanted Fe, Mg, and O after thermal annealing due to incorporation into the crystal structures for each sample type. XRD patterns along with TEM analysis showed nanocrystalline Mg and Fe oxides with possible incorporation of additional silicate minerals.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2026

Dynamic compression and spallation behavior of NbTaTiVZr high-entropy alloy

High-entropy alloys are a new class of materials with promising properties for aerospace and defense applications. The unique behavior of these materials is driven by the complex interactions between dissimilar atoms in a crystal and requires combined theoretical and experimental efforts to unlock their full potential. Here, we evaluate the relationship between the microstructure and the dynamic response of the equiatomic NbTaTiVZr alloy. Specifically, the shock Hugoniot, or equation of state, was measured up to a particle velocity of 0.5 mm μs −1 using gas gun plate impacts. Shock wave profile and incipient spallation experiments were used to characterize wave propagation and damage formation with post-mortem recovery experiments. Molecular dynamics simulations confirm the experimental findings and extend them up to 2.1 mm μs −1 particle velocity. Computational thermodynamic calculation of phase diagram simulations explain details of the material microstructure, which explains the measured strength and experimental damage patterns. Overall, this work provides detailed high-strain-rate characterization of a refractory high-entropy alloy, and more importantly, a framework and demonstration of the utility and necessity of a combined theoretical and experimental approach, outlining the importance of considering processing and manufacturing conditions when evaluating the performance of new materials.

36 MATERIALS SCIENCE↗

DOE OSTI2024

High‐speed 4‐dimensional scanning transmission electron microscopy using compressive sensing techniques

Abstract Here we show that compressive sensing allows 4‐dimensional (4‐D) STEM data to be obtained and accurately reconstructed with both high‐speed and reduced electron fluence. The methodology needed to achieve these results compared to conventional 4‐D approaches requires only that a random subset of probe locations is acquired from the typical regular scanning grid, which immediately generates both higher speed and the lower fluence experimentally. We also consider downsampling of the detector, showing that oversampling is inherent within convergent beam electron diffraction (CBED) patterns and that detector downsampling does not reduce precision but allows faster experimental data acquisition. Analysis of an experimental atomic resolution yttrium silicide dataset shows that it is possible to recover over 25 dB peak signal‐to‐noise ratio in the recovered phase using 0.3% of the total data. Lay abstract : Four‐dimensional scanning transmission electron microscopy (4‐D STEM) is a powerful technique for characterizing complex nanoscale structures. In this method, a convergent beam electron diffraction pattern (CBED) is acquired at each probe location during the scan of the sample. This means that a 2‐dimensional signal is acquired at each 2‐D probe location, equating to a 4‐D dataset. Despite the recent development of fast direct electron detectors, some capable of 100kHz frame rates, the limiting factor for 4‐D STEM is acquisition times in the majority of cases, where cameras will typically operate on the order of 2kHz. This means that a raster scan containing 256^2 probe locations can take on the order of 30s, approximately 100‐1000 times longer than a conventional STEM imaging technique using monolithic radial detectors. As a result, 4‐D STEM acquisitions can be subject to adverse effects such as drift, beam damage, and sample contamination. Recent advances in computational imaging techniques for STEM have allowed for faster acquisition speeds by way of acquiring only a random subset of probe locations from the field of view. By doing this, the acquisition time is significantly reduced, in some cases by a factor of 10‐100 times. The acquired data is then processed to fill‐in or inpaint the missing data, taking advantage of the inherently low‐complex signals which can be linearly combined to recover the information. In this work, similar methods are demonstrated for the acquisition of 4‐D STEM data, where only a random subset of CBED patterns are acquired over the raster scan. We simulate the compressive sensing acquisition method for 4‐D STEM and present our findings for a variety of analysis techniques such as ptychography and differential phase contrast. Our results show that acquisition times can be significantly reduced on the order of 100‐300 times, therefore improving existing frame rates, as well as further reducing the electron fluence beyond just using a faster camera.

Robinson, Alex W.↗

DOE OSTI2018

Characteristic orientation relationships in nanoscale Al-Al2Cu Eutectic

Highlights: • Nano-scale lamellar Al-Al{sub 2}Cu eutectic was synthesized by laser surface remelting. • Orientation relationship (OR) is {211}{sub Al2Cu}||{111}{sub Al} and <120>{sub Al2Cu}||<110>{sub Al.} • The OR has two variants, I has (001){sub Al2Cu}||{001}{sub Al} and II has (001){sub Al2Cu}||{111}{sub Al.} • Variant I is associated with low energy interfaces. - Abstract: A fully lamellar Al-Al{sub 2}Cu eutectic comprising alternate nano-scale α-Al and θ-Al{sub 2}Cu phases was synthesized through laser surface remelting of a cast Al-32.7 wt% Cu alloy. The orientation relationship between α-Al and θ-Al{sub 2}Cu phases was investigated from Kikuchi patterns obtained using electron backscattered diffraction (EBSD) and t-EBSD techniques. The characteristic orientation relationship (OR), {211}{sub Al2Cu}||{111}{sub Al} and <120>{sub Al2Cu}||<110>{sub Al}, was observed independent of interlamellar spacing. This OR has two variants where, besides the two parallel planes, the variant I exhibits (001){sub Al2Cu}||{001}{sub Al} and the variant II exhibits (001){sub Al2Cu}||{111}{sub Al}. Variant I prevails over variant II in laser-processed α-Al and θ-Al{sub 2}Cu nano-laminates, and atomistic modeling indicates that this is due to the low energy interfaces associated with variant I, i.e., {211}{sub Al2Cu}||{111}{sub Al} or (001){sub Al2Cu}||{001}{sub Al}. A comprehensive understanding of the crystallographic orientation relationships between two phases may help predict or explain the active slip systems in fine-scale Al-Al{sub 2}Cu eutectic and other cubic-tetragonal two-phase materials.

77 NANOSCIENCE AND NANOTECHNOLOGY↗