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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 379 records · Page 21

Development of Gen-II LAPPD TM Systems For Nuclear Physics Experiments

The technical objectives of this Phase I program were to; Demonstrate proof of concept of a pin-free pixelated readout using an inside-out approach. “Inside-out” is a novel approach for having the ground plane on the inside (floor of the anode facing the MCP stack-up) and anode pads on the outside of the LAPPD. The goal is a demonstration of capacitive coupling through the bottom anode plate (9.02 x 8.66”), using ceramic, and, optionally, glass tile components; Develop a ceramic package or Lower Tile Assembly (LTA) consisting of hermetically sealing a ceramic sidewall to a ceramic anode producing a single unit capable of housing the MCP stack up enabling development of a Gen II LAPPDTM having low loss, high bandwidth and mechanical robustness. The ceramic bodies used in this Task will be the same as in Task 1 and Task 3. Our goal was to work with commercial suppliers to economically fabricate the ceramic components; Evaluate alternative LAPPD top window materials to determine compatibility in sealing to the ceramic sidewall described in Task 2. Concurrently we will specify and select an alloy seal material suitable for sealing the top window to the sidewall, and we will perform sealing trials of these components; Demonstrate electrical characteristics of the inside-out anode in the detector context, the seal integrity of the bonded two-piece ceramic lower tile assembly (LTA) as well as the hermetic seal quality of the window to the sidewall; and Secure at least one specific NP, HEP or commercial application for a Gen II LAPPDTM enabled by this technology to be developed in Phase II.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Comparison of EBSD, DIC, AFM, and ECCI for active slip system identification in deformed Ti-7Al

The use of SEM-DIC, AFM, ECCI, and HR-EBSD to characterize slip-system activity was assessed on the same material volume of Ti-7Al. This study presents a robust comparison of the various methods for the first time, including an assessment of their advantages and disadvantages, and how they can be used effectively in a complementary fashion. The analysis of the different approaches was carried out in a blind, round-robin manner at three different universities. A Ti-7Al specimen was deformed in uniaxial tension to approximately 3% axial strain, and the active slip systems were independently identified using (i) trace analysis; (ii) in-SEM digital image correlation, (iii) observations of residual dislocations from ECCI, and (iv) long-range rotation gradients through HR-EBSD, with consistent trace identification in all cases. Displacement data from AFM was used to augment SEM-DIC displacement data by providing complementary out-of-plane displacement information. Furthermore, short-range dislocation gradients (measured by DIC) provided insight into the residual geometrically necessary dislocation (GND) content, and was consistent with the GND content extracted from EBSD data and ECCI images, confirming the presence of residual GNDs on the dominant slip systems resulting in visible slip bands. Furthermore, these approaches can be used in tandem to provide multi-modal information on slip band identification, strain and orientation gradients, out-of-plane displacements, and the presence of GNDs and SSDs, all of which can be used to inform and validate the development of dislocation-based crystal plasticity and strain gradient models.

36 MATERIALS SCIENCE↗

Flow in additively manufactured super-rough channels

Metal additive manufacturing has enabled geometrically complex internal cooling channels for turbine and heat exchanger applications, but the process gives rise to large-scale roughness whose size is comparable to the channel height (which is 500 $\mathrm {\mu }$ m). These super-rough channels pose previously unseen challenges for experimental measurements, data interpretation and roughness modelling. First, it is not clear if measurements at a particular streamwise and spanwise location still provide accurate representation of the mean (time- and plane-averaged) flow. Second, we do not know if the logarithmic layer survives. Third, it is unknown how well previously developed rough-wall models work for these large-scale roughnesses. To answer the above practical questions, we conduct direct numerical simulations of flow in additively manufactured super-rough channels. Three rough surfaces are considered, all of which are obtained from computed tomography scans of additively manufactured surfaces. The roughness’ trough to peak sizes are 0.1 $h$ , 0.3 $h$ and 0.8 $h$ , respectively, where $h$ is the intended half-channel height. Each rough surface is placed opposite a smooth wall and the other two rough surfaces, leading to six rough-wall channel configurations. Two Reynolds numbers are considered, namely $Re_\tau =180$ and $Re_\tau =395$ . We show first that measurements at one streamwise and spanwise location are insufficient due to strong mean flow inhomogeneity across the entire channel, second that the logarithmic law of the wall survives despite the mean flow inhomogeneity and third that the established roughness sheltering model remains accurate.

Altland, Samuel↗

In situ TEM visualization of superior nanomechanical flexibility of shear-exfoliated phosphorene

Recently discovered atomically thin black phosphorus (called phosphorene) holds great promise for applications in flexible nanoelectronic devices. Experimentally identifying and characterizing nanomechanical properties of phosphorene are challenging, but also potentially rewarding. Our work combines for the first time in situ transmission electron microscopy (TEM) imaging and an in situ micro-manipulation system to directly visualize the nanomechanical behaviour of individual phosphorene nanoflakes. Furthermore, we demonstrate that the phosphorene nanoflakes can be easily bent, scrolled, and stretched, showing remarkable mechanical flexibility rather than fracturing. An out-of-plane plate-like bending mechanism and in-plane tensile strain of up to 34% were observed. Moreover, a facile liquid-phase shear exfoliation route has been developed to produce such mono-layer and few-layer phosphorene nanoflakes in organic solvents using only a household kitchen blender. The effects of surface tensions of the applied solvents on the ratio of average length and thickness (L/T) of the nanoflakes were studied systematically. These results reported here will pave the way for potential industrial-scale applications of flexible phosphorene nanoelectronic devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Strong transmittance above the light line in mid-infrared two-dimensional photonic crystals

The mid-infrared region of the electromagnetic spectrum between 3 and 8 μm hosts absorption lines of gases relevant for chemical and biological sensing. 2D photonic crystal structures capable of guiding light in this region of the spectrum have been widely studied, and their implementation into miniaturized sensors has been proposed. However, light guiding in conventional 2D photonic crystals is usually restricted to a frequency range below the light line, which is the dispersion relation of light in the media surrounding the structures. These structures rely on total internal reflection for confinement of the light in z-direction normal to the lattice plane. In this work, 2D mid-infrared photonic crystals consisting of microtube arrays that mitigate these limitations have been developed. Due to their high aspect ratios of ∼1:30, they are perceived as semi-infinite in the z-direction. Light transmission experiments in the 5–8 μm range reveal attenuations as low as 0.27 dB/100 μm, surpassing the limitations for light guiding above the light line in conventional 2D photonic crystals. Fair agreement is obtained between these experiments, 2D band structure and transmission simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Versatile strain-tuning of modulated long-period magnetic structures

In this paper, we report a detailed small-angle neutron scattering (SANS) study of the skyrmion lattice phase of MnSi under compressive and tensile strain. In particular, we demonstrate that tensile strain applied to the skyrmion lattice plane, perpendicular to the magnetic field, acts to destabilize the skyrmion lattice phase. Finally, this experiment was enabled by our development of a versatile strain cell, unique in its ability to select the application of either tensile or compressive strain in-situ by using two independent helium-actuated copper pressure transducers, whose design has been optimized for magnetic SANS on modulated long-period magnetic structures and vortex lattices, and is compact enough to fit in common sample environments such as cryostats and superconducting magnets.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

(110)-Oriented GaAs Devices and Spalling as a Platform for Low-Cost III-V Photovoltaics

We demonstrate the growth of (110) GaAs solar cells by hydride vapor phase epitaxy (HVPE) as an advance towards a (110)-oriented device platform with substrate reuse via spalling. Controlled spalling offers a fracture-based path to substrate amortization, allowing device removal and substrate reuse, but the faceted surface generated in spalling of (100)-GaAs presents hurdles to direct regrowth of subsequent devices. Spalling of (110)-oriented substrates takes advantage of the natural (110) cleavage plane in zinc-blende III-V materials, eliminating this faceting. The vast majority of III-V epitaxy development is on (100)-oriented substrates, but epitaxy is not limited to this orientation. Here, we demonstrate (110)-based GaAs solar cells grown by HVPE with equivalent performance to devices grown on the more standard (100) orientation. We also demonstrate spalling of (110) oriented substrates, revealing surfaces with flat terraces separated by steps. These results provide preliminary evidence of a potentially low-cost path for terrestrial III-V photovoltaics via the (110) substrate orientation.

(110) orientation↗

Cherenkov imaging method for rapid optimization of clinical treatment geometry in total skin electron beam therapy

Purpose: A method was developed utilizing Cherenkov imaging for rapid and thorough determination of the two gantry angles that produce the most uniform treatment plane during dual-field total skin electron beam therapy (TSET). Methods: Cherenkov imaging was implemented to gather 2D measurements of relative surface dose from 6 MeV electron beams on a white polyethylene sheet. An intensified charge-coupled device camera time-gated to the Linac was used for Cherenkov emission imaging at sixty-two different gantry angles (1° increments, from 239.5° to 300.5°). Following a modified Stanford TSET technique, which uses two fields per patient position for full body coverage, composite images were created as the sum of two beam images on the sheet; each angle pair was evaluated for minimum variation across the patient region of interest. Cherenkov versus dose correlation was verified with ionization chamber measurements. The process was repeated at source to surface distance (SSD) = 441, 370.5, and 300 cm to determine optimal angle spread for varying room geometries. In addition, three patients receiving TSET using a modified Stanford six-dual field technique with 6 MeV electron beams at SSD = 441 cm were imaged during treatment. Results: As in previous studies, Cherenkov intensity was shown to directly correlate with dose for homogenous flat phantoms (R{sup 2} = 0.93), making Cherenkov imaging an appropriate candidate to assess and optimize TSET setup geometry. This method provided dense 2D images allowing 1891 possible treatment geometries to be comprehensively analyzed from one data set of 62 single images. Gantry angles historically used for TSET at their institution were 255.5° and 284.5° at SSD = 441 cm; however, the angles optimized for maximum homogeneity were found to be 252.5° and 287.5° (+6° increase in angle spread). Ionization chamber measurements confirmed improvement in dose homogeneity across the treatment field from a range of 24.4% at the initial angles, to only 9.8% with the angles optimized. A linear relationship between angle spread and SSD was observed, ranging from 35° at 441 cm, to 39° at 300 cm, with no significant variation in percent-depth dose at midline (R{sup 2} = 0.998). For patient studies, factors influencing in vivo correlation between Cherenkov intensity and measured surface dose are still being investigated. Conclusions: Cherenkov intensity correlates to relative dose measured at depth of maximum dose in a uniform, flat phantom. Imaging of phantoms can thus be used to analyze and optimize TSET treatment geometry more extensively and rapidly than thermoluminescent dosimeters or ionization chambers. This work suggests that there could be an expanded role for Cherenkov imaging as a tool to efficiently improve treatment protocols and as a potential verification tool for routine monitoring of unique patient treatments.

61 RADIATION PROTECTION AND DOSIMETRY↗

Progress Report on Modified Burst Testing and Alternative Test Methodologies

Performance of accident-tolerant fuel candidates must be assessed during the pellet-cladding mechanical interaction (PCMI) phase of a design-basis reactivity-initiated accident (RIA). Therefore, in this report, we describe Fiscal Year (FY) 2019 research activities on the development of separate-effects testing for ATF cladding candidate iron-chromium-aluminum (FeCrAl) tube specimens under loading conditions comparable to the PCMI. The first section of this report provides modified-burst test (MBT) results of unirradiated FeCrAl tubes at various pressurization-rates and an RIA-relevant temperature (275°C). The failure strain of FeCrAl was observed and calculated using a high-speed digital-image correlation (DIC) technique developed recently under the Department of Energy (DOE)’s Advanced Fuel Campaign (AFC). To overcome the complexities of performing MBT in a hot-cell environment on irradiated samples, a “plane-strain tension” (PST) test was proposed as an alternative methodology for PCMI testing. The relevance of the PST test as an alternative to MBT for irradiated specimens was explicated using the data available in the literature. The design of hot-cell compatible PST fixtures and a specific holder for PST hot-cell specimen machining were developed.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Scaling Relations on Basal Plane Vacancies of Transition Metal Dichalcogenides for CO 2 Reduction

Transition metal dichalcogenides (TMDs) have shown promising electrocatalytic performance for CO 2 reduction (CO 2 R) recently. However, the development of efficient and selective catalysts remains a major challenge. Although recent studies have suggested the importance of activation energies as activity descriptors for CO 2 R beyond CO, the scaling of intermediate binding energies presents the first step in computational catalyst screening. Here, we investigate the basal vacancy on 2H and 1T/1T' phase group V, VI, and X TMDs for CO 2 reduction. We find that the change of oxophicility and carbophilicity on each group of TMDs follows different trends, which leads to different scaling relations amongst key intermediates. Our thermochemical analysis also suggests group V and VI TMDs to be either selective for hydrogen evolution reaction or prone to OH poisoning. Furthermore, the initial analysis suggests group X TMDs to be possible candidates for active and selective CO 2 reduction without suffering from OH poisoning, which motivates further theoretical kinetic studies. We furthermore find that their reaction energetics can be tuned by the density of the basal vacancies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Electromagnetic pulse excitation of finite- and infinitely-long lossy conductors over a lossy ground plane

This study details a model for the response of a finite- or an infinite-length wire interacting with a conducting ground to an electromagnetic pulse excitation. We develop a frequency–domain method based on transmission line theory that we name ATLOG – Analytic Transmission Line Over Ground. This method is developed as an alternative to full-wave methods, as it delivers a fast and reliable solution. It allows for the treatment of finite or infinite lossy, coated wires, and lossy grounds. The cases of wire above ground, as well as resting on the ground and buried beneath the ground are treated. The reported method is general and the time response of the induced current is obtained using an inverse Fourier transform of the current in the frequency domain. The focus is on the characteristics and propagation of the transmission line mode. Comparisons with full-wave simulations strengthen the validity of the proposed method.

25 ENERGY STORAGE↗

Development of Multi-Filament Textured-Powder Bi-2212/Ag Wire With Enhanced Local Area Ratio

The performance and cost of Bi-2212/Ag wire is limited by the large fraction of Ag matrix (~3:1) that is required in the oxide-powder-in-tube fabrication process. An alternative fabrication process is being developed in which fine-powder Bi-2212 is uniaxially compressed to form bars with a thin Ag foil sheath. The fine powder naturally textures (aligns the a-b planes perpendicular to the direction of compaction) with texture >80% using 200 MPa compression. A billet is formed by stacking trapezoidal- cross-section bars in a symmetric 8-12-16 pattern around an Ag rod and enclosed in an Ag-wall extrusion can. Here, the billet is extruded and drawn to fine wire. Results are presented on present status of the development and testing.

17 WIND ENERGY↗

Large anomalous Nernst effect and nodal plane in an iron-based kagome ferromagnet

Anomalous Nernst effect (ANE), converting a heat flow to transverse electric voltage, originates from the Berry phase of electronic wave function near the Fermi energy E F . Thus, the ANE provides a sensitive probe to detect a topological state that produces large Berry curvature. In addition, a magnet that exhibits a large ANE using low-cost and safe elements will be useful to develop a novel energy harvesting technology. Here, we report our observation of a high ANE exceeding 3 microvolts per kelvin above room temperature in the kagome ferromagnet Fe 3 Sn with the Curie temperature of 760 kelvin. Our theoretical analysis clarifies that a “nodal plane” produces a flat hexagonal frame with strongly enhanced Berry curvature, resulting in the large ANE. Our discovery of the large ANE in Fe 3 Sn opens the path for the previously unexplored functionality of flat degenerate electronic states and for developing flexible film thermopile and heat current sensors.

36 MATERIALS SCIENCE↗

Process Image Analysis using Big Data, Machine Learning, and Computer Vision

The development of algorithms for machine learning and data analysis for the 3013 MIS corrosion surveillance program is a collaborative effort by SRNL, USC and GT. For corrosion detection, LCM image data is extracted from large binary files, with software written to convert the data to physical attributes (i.e. height, color and grayscale values; all as functions of a location in a plane projection). The user interface for the software permits selective downloading of binary data and interrogation of attributes. User input thresholds are used to flag attributes of interest. Machine learning algorithms, developed for this application, are used to determine whether the features are the result of corrosion. To address the fundamental mechanisms of corrosion, machine learning algorithms are being developed to derive interatomic potential force-fields from ab-initio DFT calculations. The goal is to apply molecular modeling on a large enough scale to guide the design of resistant materials.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Low Activation Joining of SiC/SiC Composites for Fusion Applications: Modeling Miniature Torsion Tests with Elastic and Elastic-Plastic Models

The international fusion community designed miniature torsion specimens for joint testing and irradiation in test reactors with limited irradiation volumes since SiC and SiC-composites used in fission or fusion environments require joining methods for assembling systems. Torsion specimens fail out-of-plane when joints are strong and when elastic moduli are comparable to SiC, which causes difficulties in determining shear strengths for many joints or for comparing unirradiated and irradiated joints. A finite element damage model was developed to treat elastic joints such as SiC/Ti3SiC2+SiC and elastic-plastic joints such as SiC/epoxy and steel/epoxy. The model uses constitutive shear data and is validated using epoxy joint data. The elastic model indicates fracture is likely to occur within the joined pieces to cause out-of-plane failures for miniature torsion specimens when a certain modulus and strength ratio between the joint material and the joined material exists. Lower modulus epoxy joints always fail in plane and provide good model validation.

Damage Mechanics↗

The effect of local chemical ordering on Frank-Read source activation in a refractory multi-principal element alloy

In this work, we investigate the operation of Frank-Read (FR) sources in a refractory multi-principal element alloy (MPEA). Simulations of discrete dislocation motion in MPEAs is enabled by the development of a phase field dislocation dynamics model that treats the atomic-scale fluctuations in lattice energies across the glide plane, present due to local ordering in the chemical composition within the nominally random MPEA atomic structure. We consider, through simulation, a range of length scales over which ordering occurs, varying from short-range lengths, a few times dislocation core width, to long-range lengths, an order of magnitude longer than the core. Characteristic of this body-centered cubic MPEA, the simulations also include screw/edge character dependence in glide resistance, as informed by atomic scale simulation. The critical stresses to activate the source for the same source size are found to be statistically distributed, as a direct consequence of the underlying variation in lattice energy. Furthermore, analysis of critical state for activating edge and screw FR sources in the MPEA reveals that FR source operation occurs via a two-step mechanism, involving athermal kink-pair formation, unlike the conventional FR source operation in a material with no composition fluctuations. This mechanism lowers the average critical stress required to activate the FR source and causes the statistical dispersion in critical stress to depend on the range of composition ordering. More importantly, it leads to a more severe dependence of source strength on FR source length than predicted by line tension alone.

36 MATERIALS SCIENCE↗

Electrode Elastic Modulus as the Dominant Factor in the Capping Effect in Ferroelectric Hafnium Zirconium Oxide Thin Films

The discovery of ferroelectricity in hafnia based thin films has catalyzed significant research focused on understanding the ferroelectric property origins and means to increase stability of the ferroelectric phase. Prior studies have revealed that biaxial tensile stress via an electrode “capping effect” is a suspected ferroelectric phase stabilization mechanism. This effect is commonly reported to stem from a coefficient of thermal expansion (CTE) incongruency between the hafnia and top electrode. Despite reported correlations between ferroelectric phase fraction and electrode CTE, the thick silicon substrate dominates the mechanics and CTE-related stresses, negating any dominant contribution from an electrode CTE mismatch toward the capping effect. In this work, these discrepancies are reconciled, and the origin of these differences deriving from electrode elastic modulus, not CTE, is demonstrated. Pt/M/TaN/Hf 0.5 Zr 0.5 O 2 /TaN/Si devices, where M is platinum, TaN, iridium, tungsten, and ruthenium, were fabricated. Sin 2 (ψ)-based X-ray diffraction measurements of biaxial stress in the HZO layer reveal a strong correlation between biaxial stress, remanent polarization, and electrode elastic modulus. Conversely, a low correlation exists between the electrode CTE, HZO biaxial stress, and remanent polarization. A higher elastic modulus enhances the resistance to electrode elastic deformation, which intensifies the capping effect during crystallization, and culminates in the tandem restriction of out-of-plane hafnia volume expansion and preferential orientation of the polar c-axis normal to the plane. These behaviors concomitantly increase the ferroelectric phase stability and polarization magnitude. This work provides electrode material selection guidelines toward the development of high-performing ferroelectric hafnia into microelectronic devices, such as nonvolatile memories.

36 MATERIALS SCIENCE↗

Fault Stability Perturbation by Thermal Pressurization and Stress Transfer Around a Deep Geological Repository in a Clay Formation

The increase of temperature of a low-permeability, fluid-saturated media may trigger significant thermal pressurization, where the expansion of pore fluid cannot be accommodated by the thermal expansion of the pore space. With the aid of a coupled thermohydromechanical numerical simulator, we investigate the possible impact of thermal pressurization during the life of a deep geological repository (DGR) for high-level radioactive waste, characterized by the emplacement of radioactive material-filled canisters in a series of parallel tunnels, excavated in a low-permeability clay formation. We represent the fault as a planar structure embedded in a thermoporoelastic material and shear activation evaluated by a strain-softening Mohr-Coulomb failure criterion. The results show that stress changes caused by temperature and thermal pressurization of a rock mass around the emplacement tunnels may trigger a slip event on a fault plane in proximity of the geological disposal site: Rupture nucleates at depth, hundreds of meters below the DGR. Stress transfer plays a key role, while a direct hydraulic connection between the repository and the nucleation zone is not necessary in order to trigger rupture. A low stress ratio may favor the occurrence of slip up to a distance of 600 m of the fault from the outermost tunnel. Furthermore, these results highlight the need of investigating hydromechanical properties and local stress conditions at depth to characterize the geomechanical response of weak planes located in the surroundings of a high-level radioactive waste repository and to provide sufficient knowledge for the safe development of the DGR site.

58 GEOSCIENCES↗