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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Programming new geometry restraints: Parallelity of atomic groups

Improvements in structural biology methods, in particular crystallography and cryo-electron microscopy, have created an increased demand for the refinement of atomic models against low-resolution experimental data. One way to compensate for the lack of high-resolution experimental data is to use a priori information about model geometry that can be utilized in refinement in the form of stereochemical restraints or constraints. Here, the definition and calculation of the restraints that can be imposed on planar atomic groups, in particular the angle between such groups, are described. Detailed derivations of the restraint targets and their gradients are provided so that they can be readily implemented in other contexts. Practical implementations of the restraints, and of associated data structures, in the Computational Crystallography Toolbox ( cctbx ) are presented.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

SU-E-J-108: Solving the Chinese Postman Problem for Effective Contour Deformation

Purpose: To develop a practical approach for accurate contour deformation when deformable image registration (DIR) is used for atlas-based segmentation or contour propagation in image-guided radiotherapy. Methods: A contour deformation approach was developed on the basis of 3D mesh operations. The 2D contours represented by a series of points in each slice were first converted to a 3D triangular mesh, which was deformed by the deformation vectors resulting from DIR. A set of parallel 2D planes then cut through the deformed 3D mesh, generating unordered points and line segments, which should be reorganized into a set of 2D contour points. It was realized that the reorganization problem was equivalent to solving the Chinese Postman Problem (CPP) by traversing a graph built from the unordered points with the least cost. Alternatively, deformation could be applied to a binary mask converted from the original contours. The deformed binary mask was then converted back into contours at the CT slice locations. We performed a qualitative comparison to validate the mesh-based approach against the image-based approach. Results: The DIR could considerably change the 3D mesh, making complicated 2D contour representations after deformation. CPP was able to effectively reorganize the points in 2D planes no matter how complicated the 2D contours were. The mesh-based approach did not require a post-processing of the contour, thus accurately showing the actual deformation in DIR. The mesh-based approach could keep some fine details and resulted in smoother contours than the image-based approach did, especially for the lung structure. Image-based approach appeared to over-process contours and suffered from image resolution limits. The mesh-based approach was integrated into in-house DIR software for use in routine clinic and research. Conclusion: We developed a practical approach for accurate contour deformation. The efficiency of this approach was demonstrated in both clinic and research applications. This work was partially supported by Cancer Prevention & Research Institute of Texas (CPRIT) RP110562.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Push—pull microring-assisted space-and-wavelength selective switch

We introduce a novel design of a space-and-wavelength selective switch based on microring-assisted Mach–Zehnder interferometers. Multiple pairs of overcoupled microring resonators are incorporated as efficient and narrowband phase shifters and are driven in push–pull scheme. We design and demonstrate a 2 × <#comment/> 2 × <#comment/> 2 λ <#comment/> elementary switch block with full spatial and spectral switching capabilities. The switching device’s cross talk suppression and extinction ratio both exceed 21 dB. We measure over 75 GHz optical bandwidth per channel and less than 1.5 dB power penalty at 10 − <#comment/> 9 BER when two 32 Gbps on–off keying signals are loaded simultaneously. This new class of switching elements can further enable compact and high-performance space-and-wavelength selective switch fabrics without the need for wavelength (de)multiplexers or parallel switching planes.

Huang, Yishen (ORCID:0000000278710462)↗
DOE OSTI2023

Monitoring the readout temperature in the ICARUS TPC (2023 Italian Students Program Final Report)

Being a Liquid Argon Time Projection Chamber (LAr-TPC) detector, ICARUS exploits a series of three parallel wire planes to measure and collect the ionization charge coming from an event inside the active volume. The wires are read out by A2795 custom boards, arranged in crates located on top of the two liquid Argon vessels. Each board is provided with two temperature sensors that allow temperature monitoring while the experiment is running: this is key in order to ensure data reliability and maintain hardware in safe conditions. Moreover, temperature-related problems may force unplanned shutdowns that result in losing valuable time for the experiment to run. In this work we are discussing the characterization of the ICARUS TPC board temperatures and the system we implemented in order to monitor them effectively. Among the tools used, Grafana results in a valid application for both displaying temperature data and sending alerts to the shifters whenever a pathological situation occurs.

42 ENGINEERING↗
DOE OSTI2025

Improving ICARUS Track Reconstruction Algorithms

The ICARUS experiment is part of the Short-Baseline Neutrino (SBN) program at Fermilab. The main goal of the experiment is to investigate the possibility of sterile neutrinos in the O(1 eV) mass region and provide clarification of the anomaly detected from the Liquid Scintillator Neutrino Detector (LSND) and MiniBooNE experiments. The ICARUS-T600 detector is a Liquid Argon Time Projection Chamber (LAr-TPC), that can provide excellent 3D imaging and calorimetric reconstruction of any ionizing particles. This detection technique allows a detailed study of neutrino interactions, spanning a wide energy spectrum (from a few keV to several hundreds of GeV). The detector consists of two identical adjacent modules, filled with a total of 760 tons of ultra-pure liquid argon. Each module houses two LAr-TPCs separated by a common cathode with a maximum drift distance of 1.5 m, equivalent to about 1 ms drift time for the nominal $500$ V/m electric drift field. The anode is made of three parallel wire planes positioned 3 mm apart, where the stainless-steel wires are oriented on each plane at a different angle with respect to the horizontal direction ($+60^\degree$,$-60^\degree$,$0^\degree$). The first two planes (Induction 1 and Induction 2) provide a non-destructive charge measurement, whereas the ionization charge is fully collected by the last collection plane. In total, 53248 wires with a 3 mm pitch and length up to 9 m are installed in the detector. In the first stage of the reconstruction, segments of waveforms corresponding to physical signals (hits) are searched for in the deconvolved wire waveform with a threshold-based hit-finding algorithm. Each hit is then fitted with a Gaussian, whose area is proportional to the number of drift electrons generating the signal. In the second stage of the reconstruction, hits are passed as input to Pandora, a framework software composed of different pattern recognition algorithms, that performs a 3D reconstruction of the full image recorded in the collected event, including the identification of interaction vertices and tracks and showers inside the TPC. These are organized into a hierarchical structure (called slice) of particles generated starting from a primary interaction vertex. In some cases, related to the inefficiencies in the hit detection or excessive deflection of the particle trajectory, Pandora breaks the particle's track into two or more smaller pieces and considers each piece as an independent track. We studied this phenomenon focusing on primary muons from ν_μ CC interactions contained in a single module with a track at least 20 cm long, to exclude delta rays. The study determined that about $7-8\%$ of the muon tracks are broken. Approximately $80\%$ of the times, Pandora assigns all segments of the track to the same slice (intra-slice track split), while in the remaining $20\%$ of the cases, one of the segments is associated with another slice (extra-slice track split). To mitigate this phenomenon, we designed an algorithm that detects and stitches the tracks broken by Pandora for the intra-slice split. In Monte Carlo simulations, the algorithm showed an efficiency exceeding $80\%$ and a purity exceeding $93\%$.

Ricci, Alessandro Maria [Pisa U.; INFN, Pisa] (ORC↗
DOE OSTI2021

Sensor array and apparatus for simultaneous observation of tissue electrophysiology, contractility, and growth

A sensor array for simultaneously measuring electrophysiological responses and contractility responses of a tissue includes: a substrate; a multi-electrode array (MEA) disposed in or on the substrate; and a plurality of interdigitized electrodes (IDEs) disposed in or on the substrate. The MEA and the IDEs are interpenetrating within a plane substantially parallel to an upper surface of the substrate. Systems for measuring such responses using the sensor array may also include contacts and/or connectors for interfacing with external control devices, electrodes, and cell culture components such as a chamber and lid. Fabrication techniques for making such systems include: forming a sensor array comprising an interpenetrating arrangement of IDEs and electrodes of a MEA in or on a substrate surface; forming a plurality of contacts for interfacing the system with one or more external devices in or on the substrate surface; and forming leads between the plurality of contacts and the sensor array.

Qian, Fang↗
DOE OSTI2018

Plasmon resonant amplification of hot electron-driven photocatalysis

We discuss plasmon resonant excitation of hot electrons in a metal based photocatalyst in the oxygen evolution half reaction in aqueous solution. In this report, the photocatalyst consists of a 100-nm thick Au film deposited on a corrugated silicon substrate. Here, hot electrons photoexcited in the metal are injected into the solution, ultimately reversing the water oxidation reaction (O 2 +4H + +4e–⇌2H 2 O) and producing a photocurrent. In order to amplify this process, the gold electrode is patterned into a plasmon resonant grating structure with a pitch of 500 nm. The photocurrent (i.e., charge transfer rate) is measured as a function of incident angle using 633 nm wavelength light. We observe peaks in the photocurrent at incident angles of ±9° from normal when the light is polarized parallel to the incident plane (p-polarization) and perpendicular to the lines on the grating. Due to these peaks, we estimate an overall plasmonic gain (or amplification) factor of 2.1× in the charge transfer rate. At these same angles, we also observe sharp dips in the photoreflectance, corresponding to the condition when there is wavevector matching between the incident light and the plasmon mode in the grating. No angle dependence is observed in the photocurrent or photoreflectance when the incident light is polarized perpendicular to the incident plane (s-polarization) and parallel to the lines on the grating. Finite difference time domain simulations also predict sharp dips in the photoreflectance at ±9°, and the electric field intensity profiles show clear excitation of a plasmon-resonant mode when illuminated at those angles with p-polarized light.

42 ENGINEERING↗
DOE OSTI2016

Layered Structure Induced Anisotropic Low-Energy Recoils in Ti 3 SiC 2

Low-energy recoil events in Ti 3 SiC 2 are studied using ab initio molecular dynamics simulations. In this study, we find that the threshold displacement energies are orientation dependent because of anisotropic structural and/or bonding characteristic. For Ti and Si in the Ti–Si layer with weak bonds that have mixed covalent, ionic, and metallic characteristic, the threshold displacement energies for recoils perpendicular to the basal planes are larger than those parallel to the basal planes, which is an obvious layered-structure-related behavior. The calculated minimum threshold displacement energies are 7 eV for the C recoil along the [2110] direction, 26 eV for the Si recoil along the math formula direction, 24 eV for the Ti in the Ti–C layer along the [2110] direction and 23 eV for the Ti in the Ti–Si layer along the [2110] direction. In conclusion, these results will advance the understanding of the cascade processes of Ti 3 SiC 2 under irradiation and are expected to yield new perspective on the MAX phase family that includes more than 100 compounds.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Identifying a largest logical plane from a plurality of logical planes formed of compute nodes of a subcommunicator in a parallel computer

In a parallel computer, a largest logical plane from a plurality of logical planes formed of compute nodes of a subcommunicator may be identified by: identifying, by each compute node of the subcommunicator, all logical planes that include the compute node; calculating, by each compute node for each identified logical plane that includes the compute node, an area of the identified logical plane; initiating, by a root node of the subcommunicator, a gather operation; receiving, by the root node from each compute node of the subcommunicator, each node's calculated areas as contribution data to the gather operation; and identifying, by the root node in dependence upon the received calculated areas, a logical plane of the subcommunicator having the greatest area.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

3D Motions of Iron in Six-Coordinate {FeNO} 7 Hemes by Nuclear Resonance Vibration Spectroscopy [3-D Motions of Iron in Six-coordinate {FeNO} 7 Hemes by NRVS

The vibrational spectrum of a six-coordinate nitrosyl iron porphyrinate, monoclinic [Fe(T p FPP)(1-MeIm)(NO)] (T p FPP = tetra- para -fluorophenylporphyrin; 1-MeIm=1-methylimidazole), has been studied by oriented single-crystal nuclear resonance vibrational spectroscopy (NRVS). The crystal was oriented to give spectra perpendicular to the porphyrin plane and two in-plane spectra perpendicular or parallel to the projection of the FeNO plane. These enable assignment of the FeNO bending and stretching modes. The measurements reveal that the two in-plane spectra have substantial differences that result from the strongly bonded axial NO ligand. The direction of the in-plane iron motion is found to be largely parallel and perpendicular to the projection of the bent FeNO on the porphyrin plane. The out-of-plane Fe-N-O stretching and bending modes are strongly mixed with each other, as well as with porphyrin ligand modes. The stretch is mixed with v 50 as was also observed for dioxygen complexes. The frequency of the assigned stretching mode of eight Fe-X-O (X= N, C, and O) complexes is correlated with the Fe XO bond lengths. The nature of highest frequency band at ≈560 cm -1 has also been examined in two additional new derivatives. Previously assigned as the Fe NO stretch (by resonance Raman), it is better described as the bend, as the motion of the central nitrogen atom of the FeNO group is very large. There is significant mixing of this mode. In conclusion, the results emphasize the importance of mode mixing; the extent of mixing must be related to the peripheral phenyl substituents.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Kink band and shear band localization in anisotropic perfectly plastic solids

Shear-driven strain localization has been observed in a wide variety of materials and may take the form of shear bands or kink bands. Based on observations of kink bands in plastically anisotropic metallic nanolaminates and single crystal metals, here we posit that, for the specific case of isochoric deformation, the kinematics of kink band formation are indistinguishable from those of plane strain shear band formation. The only distinction between shear bands and kink bands in these systems would then be that kink bands ‘lock up’ at a particular value of material rotation while shear bands may progress to arbitrarily high strains. In order to investigate whether strong material anisotropy is sufficient to arrest shear localization at a geometry that matches the classic kink band geometry, we model the development of a band of simple shear within an anisotropic perfectly plastic material. The resulting analytical model provides the stress state needed to maintain the kinematics of simple shear as a function of material anisotropy, deformation band orientation, and shear strain (or equivalently, material rotation). It is found that plastic anisotropy can promote either kink band or shear band formation depending on the loading orientation. When the deviatoric stress is positive parallel to the plane of anisotropy, shear localization may progress without bound and a shear band is produced. When the deviatoric stress is negative parallel to the plane of anisotropy, shear localization is arrested after a certain material rotation, resulting in a kink band. Examination of the requisite applied stress state during kink band formation provides an explanation for the experimentally-observed ‘lock up’ geometry. Solutions for the band boundary inclination angle are obtained and used to provide bounds on permissible band angles for both shear bands and kink bands.

36 MATERIALS SCIENCE↗
DOE OSTI2021

High temperature isotropic and anisotropic etching of silicon carbide using forming gas

Plasma-etched micropillars in 4H-SiC were etched in forming gas (4% H2, 96% N2) at 1500, 1550, and 1600 °C at 2.4 and 9.4 standard liters per min (slm). At 2.4 slm, oxygen from the aluminum oxide components of the tube furnace oxidized the SiC surface, and the pillars etched isotropically. Additionally, at 9.4 slm, the pillars etched crystallographically at 1500 and 1550 °C, and sharp 4H-SiC needless with tips as narrow as 15 nm were produced. The lateral etch rates of both 4H- and 6H-SiC were measured with the a-plane etching faster than the m-plane at 1500 and 1550 °C. At 1600 °C, the m-plane and a-plane etch at comparable rates. Due to the difference in etch rates between the m-plane and a-plane, convex surfaces tend to produce facets parallel to the a-plane, while concave surfaces produce facets parallel to the m-plane.

42 ENGINEERING↗
DOE OSTI2017

Experimental study of shock-accelerated inclined heavy gas cylinder

An experimental study examines shock acceleration with an initially diffuse cylindrical column of sulfur hexafluoride surrounded by air and inclined with respect to the shock front. Three-dimensional vorticity deposition produces flow patterns whose evolution is captured with planar laser-induced fluorescence in two planes. Both planes are thus parallel to the direction of the shock propagation. The first plane is vertical and passes through the axis of the column. The second visualization plane is normal to the first plane and passes through the centerline of the shock tube. Vortex formation in the vertical and centerline planes is initially characterized by different rates and morphologies due to differences in initial vorticity deposition. In the vertical plane, the vortex structure manifests a periodicity that varies with Mach number. The dominant wavelength in the vertical plane can be related to the geometry and compressibility of the initial conditions. At later times, the vortex interaction produces a complex and irregular three-dimensional pattern suggesting transition to turbulence. We present highly repeatable experimental data for Mach numbers 1.13, 1.4, 1.7, and 2.0 at column incline angles of 0, 20, and 30 degrees for about 50 nominal cylinder diameters (30 cm) of downstream travel.

42 ENGINEERING↗
DOE OSTI2022

Sensor assemblies and methods for emulating interaction of entities within water systems

Sensor assemblies are provided for use in modeling water systems. These sensor assemblies can be used as sensor fish. These assemblies can include a circuit board supporting processing circuitry components on either or both opposing component support surfaces of the circuit board and a housing above the circuit board and the components, with the housing being circular about the circuit board in at least one cross section, and wherein the supporting surfaces of the circuit board are substantially parallel with the plane of the housing in the one cross section. Methods for emulating interaction of entities within water systems are provided. The methods can include introducing a sensor assembly into a water system. The sensor assembly can include: a circuit board supporting processing circuitry components on either or both of opposing component support surfaces of the circuit board; a housing about the circuit board and the components, the housing being circular about the circuit board in at least one cross section; and wherein the support surfaces of the circuit board are substantially parallel with the plane of the housing in the one cross section.

Deng, Z. Daniel↗
DOE OSTI2017

Field characterization of elastic properties across a fault zone reactivated by fluid injection

In this paper, we studied the elastic properties of a fault zone intersecting the Opalinus Clay formation at 300 m depth in the Mont Terri Underground Research Laboratory (Switzerland). Four controlled water injection experiments were performed in borehole straddle intervals set at successive locations across the fault zone. A three-component displacement sensor, which allowed capturing the borehole wall movements during injection, was used to estimate the elastic properties of representative locations across the fault zone, from the host rock to the damage zone to the fault core. Young's moduli were estimated by both an analytical approach and numerical finite difference modeling. Results show a decrease in Young's modulus from the host rock to the damage zone by a factor of 5 and from the damage zone to the fault core by a factor of 2. In the host rock, our results are in reasonable agreement with laboratory data showing a strong elastic anisotropy characterized by the direction of the plane of isotropy parallel to the laminar structure of the shale formation. In the fault zone, strong rotations of the direction of anisotropy can be observed. Finally, the plane of isotropy can be oriented either parallel to bedding (when few discontinuities are present), parallel to the direction of the main fracture family intersecting the zone, and possibly oriented parallel or perpendicular to the fractures critically oriented for shear reactivation (when repeated past rupture along this plane has created a zone).

58 GEOSCIENCES↗
DOE OSTI2016

Identifying logical planes formed of compute nodes of a subcommunicator in a parallel computer

In a parallel computer, a plurality of logical planes formed of compute nodes of a subcommunicator may be identified by: for each compute node of the subcommunicator and for a number of dimensions beginning with a first dimension: establishing, by a plane building node, in a positive direction of the first dimension, all logical planes that include the plane building node and compute nodes of the subcommunicator in a positive direction of a second dimension, where the second dimension is orthogonal to the first dimension; and establishing, by the plane building node, in a negative direction of the first dimension, all logical planes that include the plane building node and compute nodes of the subcommunicator in the positive direction of the second dimension.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Identifying logical planes formed of compute nodes of a subcommunicator in a parallel computer

In a parallel computer, a plurality of logical planes formed of compute nodes of a subcommunicator may be identified by: for each compute node of the subcommunicator and for a number of dimensions beginning with a first dimension: establishing, by a plane building node, in a positive direction of the first dimension, all logical planes that include the plane building node and compute nodes of the subcommunicator in a positive direction of a second dimension, where the second dimension is orthogonal to the first dimension; and establishing, by the plane building node, in a negative direction of the first dimension, all logical planes that include the plane building node and compute nodes of the subcommunicator in the positive direction of the second dimension.

97 MATHEMATICS AND COMPUTING↗