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At least 955 records · Page 53

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DOE OSTI2020

A transmission electron microscopy study of dislocation propagation and filtering in highly mismatched GaSb/GaAs heteroepitaxy

Monolithic integration of lattice-mismatched semiconductor materials opens up access to a wide range of bandgaps and new device functionalities. However, it is inevitably accompanied by defect formation. A thorough analysis of how these defects propagate and interact with interfaces is critical to understanding their effects on device parameters. In this study, we present a comprehensive study of dislocation networks in the GaSb/GaAs heteroepitaxial system using transmission electron microscopy (TEM). Specifically, the sample analyzed is a GaSb film grown on GaAs using dislocation–reduction strategies such as interfacial misfit array formation and introduction of a dislocation filtering layer. Using various TEM techniques, it is shown that such an analysis can reveal important information on the dislocation behavior including filtering mechanism, types of dislocation reactions, and other interactions with interfaces. A novel method that enables plan-view imaging of deeply embedded interfaces using TEM and a demonstration of independent imaging of different dislocation types are also presented. While clearly effective in characterizing dislocation behavior in GaSb/GaAs, we believe that the methods outlined in this article can be extended to study other heteroepitaxial material systems.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Randomized Adiabatic Quantum Linear Solver Algorithm with Optimal Complexity Scaling and Detailed Running Costs

Solving linear systems of equations is a fundamental problem with a wide variety of applications across many fields of science, and there is increasing effort to develop quantum linear solver algorithms. Subaşı et al. [Phys. Rev. Lett. 122, 060504 (2019)] proposed a randomized algorithm inspired by adiabatic quantum computing, based on a sequence of random Hamiltonian simulation steps, with suboptimal scaling in the condition number 𝜅 of the linear system and the target error 𝜖. Here we go beyond these results in several ways. Firstly, using filtering [Lin and Tong, Quantum 4, 361 (2020)] and Poissonization techniques [Cunningham and Roland, ArXiv:2406.03972 (2024)], the algorithm complexity is improved to the optimal scaling 𝑂⁡(𝜅⁢log (1/𝜖))—an exponential improvement in 𝜖, and a shaving of a log 𝜅 scaling factor in 𝜅. Secondly, the algorithm is further modified to achieve constant factor improvements, which are vital as we progress towards hardware implementations on fault-tolerant devices. We introduce a cheaper randomized walk operator method replacing Hamiltonian simulation—which also removes the need for potentially challenging classical precomputations; randomized routines are sampled over optimized random variables; circuit constructions are improved. We obtain a closed formula rigorously upper bounding the expected number of times one needs to apply a block-encoding of the linear system matrix to output a quantum state encoding the solution to the linear system. The upper bound is 837⁢𝜅 at 𝜖 = 10 −10 for Hermitian matrices.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

Thermal conductivity of GaN, 71 GaN, and SiC from 150 K to 850 K

The thermal conductivity (Λ) of wide-band-gap semiconductors GaN and SiC is critical for their application in power devices and optoelectronics. Here, we report time-domain thermoreflectance measurements of Λ in GaN, 71 GaN, and SiC between 150 and 850 K. The samples include bulk c- and m-plane wurtzite GaN grown by hydride vapor phase epitaxy (HVPE) and ammonothermal methods; homoepitaxial natural isotope abundant GaN and isotopically enriched 71 GaN layers with thickness of 6–12 μm grown on c-, m-, and a-plane GaN substrates grown by HVPE; and bulk crystals of 4H and 6H SiC. In low dislocation density (<10 7 cm –2 ) bulk and homoepitaxial GaN, Λ is insensitive to crystal orientation and doping concentration (for doping <10 19 cm –3 ); Λ ≈ 200 W m –1 K –1 at 300 K and ≈ 50 W m –1 K –1 at 850 K. In 71 GaN epilayers at 300 K, Λ is ≈15% higher than in GaN with natural isotope abundance. The measured temperature dependence of Λ in GaN is stronger than predicted by first-principles based solutions of the Boltzmann transport equation that include anharmonicity up to third order. This discrepancy between theory and experiment suggests possible significant contributions to the thermal resistivity from higher-order phonon scattering that involve interactions between more than three phonons. The measured Λ of 4H and 6H SiC is anisotropic, in good agreement with first-principles calculations, and larger than GaN by a factor of ≈1.5 in the temperature range 300 < T < 850K. Furthermore, this paper provides benchmark knowledge about the thermal conductivity in wide-band-gap semiconductors of GaN, 71 GaN, and SiC over a wide temperature range for their applications in power electronics and optoelectronics.

36 MATERIALS SCIENCE↗

DOE OSTI2015

WE-G-204-03: Photon-Counting Hexagonal Pixel Array CdTe Detector: Optimal Resampling to Square Pixels

Purpose: Detectors with hexagonal pixels require resampling to square pixels for distortion-free display of acquired images. In this work, the presampling modulation transfer function (MTF) of a hexagonal pixel array photon-counting CdTe detector for region-of-interest fluoroscopy was measured and the optimal square pixel size for resampling was determined. Methods: A 0.65mm thick CdTe Schottky sensor capable of concurrently acquiring up to 3 energy-windowed images was operated in a single energy-window mode to include ≥10 KeV photons. The detector had hexagonal pixels with apothem of 30 microns resulting in pixel spacing of 60 and 51.96 microns along the two orthogonal directions. Images of a tungsten edge test device acquired under IEC RQA5 conditions were double Hough transformed to identify the edge and numerically differentiated. The presampling MTF was determined from the finely sampled line spread function that accounted for the hexagonal sampling. The optimal square pixel size was determined in two ways; the square pixel size for which the aperture function evaluated at the Nyquist frequencies along the two orthogonal directions matched that from the hexagonal pixel aperture functions, and the square pixel size for which the mean absolute difference between the square and hexagonal aperture functions was minimized over all frequencies up to the Nyquist limit. Results: Evaluation of the aperture functions over the entire frequency range resulted in square pixel size of 53 microns with less than 2% difference from the hexagonal pixel. Evaluation of the aperture functions at Nyquist frequencies alone resulted in 54 microns square pixels. For the photon-counting CdTe detector and after resampling to 53 microns square pixels using quadratic interpolation, the presampling MTF at Nyquist frequency of 9.434 cycles/mm along the two directions were 0.501 and 0.507. Conclusion: Hexagonal pixel array photon-counting CdTe detector after resampling to square pixels provides high-resolution imaging suitable for fluoroscopy.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2025

Soil Texture and Organic Matter from Teller Field Site and Barrow Environmental Observatory, Alaska, 2024

Understanding soil texture and organic matter content supports our understanding of hydrology and ecology of Arctic sites. Soil organic matter content and composition of sand, silt, and clay were measured from soils collected at the Teller 27 field site on the Seward Peninsula and at the Barrow Environmental Observatory (BEO) near Utqiaġvik, Alaska, on August 2nd and 6th 2024, respectively. Soil samples were collected from the active layer to varied depths. Precise location data were collected at each observation point using Avenza Maps on a mobile device. Sand, silt, clay, and organic matter percentages were measured at Desert Research Institute Soil Characterization and Quaternary Pedology Laboratory in Reno, NV. This dataset contains a *.csv file of soil properties, a *.kml file of measurement locations, a *.pdf user guide, a *.csv data dictionary, and a *.csv file level metadata.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2015

The CG-1D neutron imaging beamline at the Oak Ridge National Laboratory High Flux Isotope Reactor

The Oak Ridge National Laboratory Neutron Sciences Directorate has installed a neutron imaging beamline at the High Flux Isotope Reactor (HFIR) cold guide hall. CG-1D is one of the three instruments that make up the CG1 instrument suite. The beamline optics and detector have recently been upgraded to meet the needs of the neutron imaging community (better smoothing of guide system artifacts, higher flux or spatial resolution). These upgrades comprise a new diffuser/aperture system, two new detectors, a He-filled flight tube and silicon (Si) windows. Shielding inside the flight tube, beam scrapers and a beam stop ensure that biological dose is less than 50 Sv/hr outside of the radiation boundary. A set of diffusers and apertures (pinhole geometry) has been installed at the exit of the guide system to allow motorized L/D variation. Samples sit on a translation/rotation stage for alignment and tomography purposes. Detectors for the CG-1D beamline are (1) an ANDOR DW936 charge coupled device (CCD) camera with a field of view of approximately 7 cm x 7 cm and ~ 80 microns spatial resolution and 1 frame per second time resolution, (2) a new Micro-Channel Plate (MCP) detector with a 2.8 cm x 2.8 cm field of view and 55 microns spatial resolution, and 5 s timing capability. 6LiF/ZnS scintillators of thickness varying from 50 to 200 microns are being used at this facility. An overview of the beamline upgrade and preliminary data is presented here.

Santodonato, Louis J↗

DOE OSTI2014

Characterization and Delivery of Hanford High-Level Radioactive Waste Slurry

Two primary challenges to characterizing Hanford’s high-level radioactive waste slurry prior to transfer to a treatment facility are the ability to representatively sample million-gallon tanks and to estimate the critical velocity of the complex slurry. Washington River Protection Solutions has successfully demonstrated a sampling concept that minimizes sample errors by collecting multiple sample increments from a sample loop where the mixed tank contents are recirculated. Pacific Northwest National Laboratory has developed and demonstrated an ultrasonic-based Pulse-Echo detection device that is capable of detecting a stationary settled bed of solids in a pipe with flowing slurry. These two concepts are essential elements of a feed delivery strategy that drives the Hanford clean-up mission.

critical velocity↗

DOE OSTI2020

Manipulation of the van der Waals Magnet Cr 2 Ge 2 Te 6 by Spin–Orbit Torques

In this work, we report measurements of current-induced thermoelectric and spin-orbit torque effects within devices in which multilayers of the semiconducting 2-dimensional van der Waals magnet Cr 2 Ge 2 Te 6 (CGT) are integrated with Pt and Ta metal overlayers. We show that the magnetic orientation of the CGT can be detected accurately either electrically (using an anomalous Hall effect) or optically (using magnetic circular dichroism) with good consistency. The samples exhibit large thermoelectric effects, but nevertheless the spin-orbit torque can be measured quantitatively using the angle-dependent second harmonic Hall technique. For CGT/Pt we measure the spin-orbit torque efficiency to be similar to conventional metallic-ferromagnet/Pt devices with the same Pt resistivity. The interfacial transparency for spin currents is therefore similar in both classes of devices. Our results demonstrate the promise of incorporating semiconducting 2D magnets within spin-orbitronic and magneto-thermal devices.

2D magnets↗

DOE OSTI2022

Acoustic focusing of microplastics in microfabricated and steel tube devices: An experimental study on the effects from particle size and medium density

The contamination of aquatic systems with microplastics is becoming a severe threat to living organisms. Microplastics found in the environment consist of a wide range of particle sizes thus give rise to several challenges to current purification methods. Acoustic focusing has been utilized as a particle concentrating method in biological and non-biological applications. In this study, we investigate the feasibility of using acoustic focusing technology to isolate microplastics in aqueous samples and find that a two-stage mechanism is essential to concentrate microplastics of wide size ranges of the same material. We demonstrate for the first time experimentally that when the particle size is comparable to the resonance wavelength, they deviate from typical pressure nodal focusing and show pressure antinodal focusing. Further, we have expanded microplastics isolation beyond microfluidic systems and demonstrate their extraction capabilities relatively at higher flow rates using microplastics of polystyrene, polyethylene, and polymethyl methacrylate ranging from 6 µm to 300 µm diameter and in devices fabricated with cylindrical steel tubes. We could extract 70% of microplastics smaller than 180 µm and 82% of microplastics greater than 180 µm in diameter from an aqueous sample at a flow rate of 12 mL/min. In conclusion, we demonstrate that small microplastics focus on acoustic pressure nodes regardless of the medium density. However, focusing of large microplastics of the same material depends on the medium density.

42 ENGINEERING↗

DOE OSTI2023

Polarity effects on wake–up behavior of Al 0.94 B 0.06 N ferroelectrics

Wurtzite ferroelectric materials are promising candidates for energy-efficient memory technologies, particularly for applications requiring high operating temperatures. Asymmetric wake-up behaviors, in which the polarization reversal depends both on polarity and cycle number for the first few dozen cycles, must be better understood for reliable device operation. Here, the detailed analysis of the asymmetric wake-up behavior of thin film Al 0.94 B 0.06 N was performed combining time-resolved switching measurements with Rayleigh analysis, piezoelectric measurements, and etching experiments of progressively switched samples. Furthermore, the analysis shows that the gradual opening of the polarization hysteresis loops associated with wake-up is driven by a gradual increase in the domain-wall density and/or domain-wall mobility with electric field cycle to the polarity opposite to the growth polarity. The insights of this discovery will help to guide interface and polarity design in the eventual deployment of reliable devices based on these materials.

36 MATERIALS SCIENCE↗

DOE OSTI2016

Improved characteristics of amorphous indium-gallium-zinc-oxide-based resistive random access memory using hydrogen post-annealing

The authors report an improvement in resistive switching (RS) characteristics of amorphous indium-gallium-zinc-oxide (a-IGZO)-based resistive random access memory devices using hydrogen post-annealing. Because this a-IGZO thin film has oxygen off-stoichiometry in the form of deficient and excessive oxygen sites, the film properties can be improved by introducing hydrogen atoms through the annealing process. After hydrogen post-annealing, the device exhibited a stable bipolar RS, low-voltage set and reset operation, long retention (>10{sup 5 }s), good endurance (>10{sup 6} cycles), and a narrow distribution in each current state. The effect of hydrogen post-annealing is also investigated by analyzing the sample surface using X-ray photon spectroscopy and atomic force microscopy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

An Innovative High Throughput Genome Releaser for Rapid and Efficient PCR Screening

High-throughput PCR screening is vital in synthetic biology and metabolic engineering as it allows researchers to rapidly analyze and detect numerous targeted genetic mutation in the genome. Current challenges for high-throughput PCR screening in synthetic biology include efficiently preparing genomic DNA, optimizing protocols for diverse sample types, managing contamination risks, and effectively analyzing the large volumes of data generated while ensuring consistent and accurate results. In this study, we present the development of a High Throughput Genome Releaser (HTGR), an innovative device addressing common challenges in screening PCR. This genome DNA releaser is designed based on a squash method for rapid, cost-effective, and efficient DNA release, optimized for subsequent PCR reactions. After experimenting with various synthetic materials, we selected a plastic that closely replicates the smooth surface and compression properties of microscope slides, ensuring reliable performance. We engineered a device featuring a 96-Well Plate and a shear applicator, operable both manually and automatically, and compatible with standard liquid-handling robot platform. This compatibility enhances ease of use in high-throughput PCR workflows. Additionally, we developed software to support its automatic functions. Our results demonstrated that the specially engineered 96-Well Plate and HTGR can effectively squash fungal spores , which release enough genome DNA for PCR screening. The genome releaser facilitates the preparation of PCR-amplifiable genomic DNA substrate from 96 samples within minutes, eliminates the need for extraction buffers, and is adaptable to a wide range of microorganisms and cells, which could significantly advance biomanufacturing processes.

Yuan, Guoliang [BATTELLE (PACIFIC NW LAB)]↗

DOE OSTI2023

A combinatorial droplet microfluidic device integrated with mass spectrometry for enzyme screening

Mass spectrometry (MS) enables detection of different chemical species with a very high specificity; however, it can be limited by its throughput. Integrating MS with microfluidics has a tremendous potential to improve throughput and accelerate biochemical research. In this work, we introduce Drop-NIMS, a combination of a passive droplet loading microfluidic device and a matrix-free MS laser desorption ionization technique called nanostructure-initiator mass spectrometry (NIMS). This platform combines different droplets at random to generate a combinatorial library of enzymatic reactions that are deposited directly on the NIMS surface without requiring additional sample handling. The enzyme reaction products are then detected with MS. Drop-NIMS was used to rapidly screen enzymatic reactions containing low (on the order of nL) volumes of glycoside reactants and glycoside hydrolase enzymes per reaction. MS “barcodes” (small compounds with unique masses) were added to the droplets to identify different combinations of substrates and enzymes created by the device. We assigned xylanase activities to several putative glycoside hydrolases, making them relevant to food and biofuel industrial applications. Overall, Drop-NIMS is simple to fabricate, assemble, and operate and it has potential to be used with many other small molecule metabolites.

47 OTHER INSTRUMENTATION↗

DOE OSTI2021

Methods and devices configured to operated scanning tunneling microscopes using out-of-bandwidth frequency components added to bias voltage and related software

In the system and method disclosed, an ultrahigh vacuum (UHV) scanning tunneling microscope (STM) tip is used to selectively desorb hydrogen atoms from the Si(100)-2X1:H surface by injecting electrons at a negative sample bias voltage. A new lithography method is disclosed that allows the STM to operate under imaging conditions and simultaneously desorb H atoms as required. A high frequency signal is added to the negative sample bias voltage to deliver the required energy for hydrogen removal. The resulted current at this frequency and its harmonics are filtered to minimize their effect on the operation of the STM's feedback loop. This approach offers a significant potential for controlled and precise removal of hydrogen atoms from a hydrogen-terminated silicon surface and thus may be used for the fabrication of practical silicon-based atomic-scale devices.

Moheimani, Seyed Omid Reza↗

DOE OSTI2023

Methods and devices configured to operated scanning tunneling microscopes using out-of-bandwidth frequency components added to bias voltage and related software

Moheimani, Seyed Omid Reza↗

DOE OSTI2015

Capture and X-ray diffraction studies of protein microcrystals in a microfluidic trap array

A microfluidic platform has been developed for the capture and X-ray analysis of protein microcrystals, affording a means to improve the efficiency of XFEL and synchrotron experiments. X-ray free-electron lasers (XFELs) promise to enable the collection of interpretable diffraction data from samples that are refractory to data collection at synchrotron sources. At present, however, more efficient sample-delivery methods that minimize the consumption of microcrystalline material are needed to allow the application of XFEL sources to a wide range of challenging structural targets of biological importance. Here, a microfluidic chip is presented in which microcrystals can be captured at fixed, addressable points in a trap array from a small volume (<10 µl) of a pre-existing slurry grown off-chip. The device can be mounted on a standard goniostat for conducting diffraction experiments at room temperature without the need for flash-cooling. Proof-of-principle tests with a model system (hen egg-white lysozyme) demonstrated the high efficiency of the microfluidic approach for crystal harvesting, permitting the collection of sufficient data from only 265 single-crystal still images to permit determination and refinement of the structure of the protein. This work shows that microfluidic capture devices can be readily used to facilitate data collection from protein microcrystals grown in traditional laboratory formats, enabling analysis when cryopreservation is problematic or when only small numbers of crystals are available. Such microfluidic capture devices may also be useful for data collection at synchrotron sources.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2022

ZrTe2/CrTe2: an epitaxial van der Waals platform for spintronics

Abstract The rapid discovery of two-dimensional (2D) van der Waals (vdW) quantum materials has led to heterostructures that integrate diverse quantum functionalities such as topological phases, magnetism, and superconductivity. In this context, the epitaxial synthesis of vdW heterostructures with well-controlled interfaces is an attractive route towards wafer-scale platforms for systematically exploring fundamental properties and fashioning proof-of-concept devices. Here, we use molecular beam epitaxy to synthesize a vdW heterostructure that interfaces two material systems of contemporary interest: a 2D ferromagnet (1T-CrTe 2 ) and a topological semimetal (ZrTe 2 ). We find that one unit-cell (u.c.) thick 1T-CrTe 2 grown epitaxially on ZrTe 2 is a 2D ferromagnet with a clear anomalous Hall effect. In thicker samples (12 u.c. thick CrTe 2 ), the anomalous Hall effect has characteristics that may arise from real-space Berry curvature. Finally, in ultrathin CrTe 2 (3 u.c. thickness), we demonstrate current-driven magnetization switching in a full vdW topological semimetal/2D ferromagnet heterostructure device.

36 MATERIALS SCIENCE↗

DOE OSTI2018

The role of oxygen doping on elemental intermixing at the PVD-CdS/Cu (InGa)Se 2 heterojunction

Elemental intermixing at the CdS/CuIn 1-x Ga x Se 2 (CIGS) heterojunction in thin-film photovoltaic devices plays a crucial role in carrier separation and thus device efficiency. Here, using scanning transmission electron microcopy in combination with energy dispersive X-ray mapping, we find that by controlling the oxygen in the sputtering gas during physical vapor deposition (PVD) of the CdS, we can tailor the degree of elemental intermixing. More oxygen suppresses Cu migration from the CIGS into the CdS, while facilitating Zn doping in the CdS from the ZnO transparent contact. Very high oxygen levels induce nanocrystallinity in the CdS, while moderate or no oxygen content can promote complete CdS epitaxy on the CIGS grains. Regions of cubic Cu 2 S phase were observed in the Cu-rich CdCuS when no oxygen is included in the CdS deposition process. In the process-of-record sample (moderate O 2 ) that exhibits the highest solar conversion efficiency, we observe a ~26-nm-thick Cu-deficient CIGS surface counter-doped with the highest Cd concentration among all of the samples. Cd movement into the CIGS was found to be less than 10 nm deep for samples with either high or zero O 2 . Lastly, the results are consistent with the expectation that Cd doping of the CIGS surface and lack of Zn diffusion into the buffer both enhance device performance.

14 SOLAR ENERGY↗