Active Reaction Control of Cu Redox State Based on Real-Time Feedback from In Situ Synchrotron Measurements
Abstract not provided
Rakita, Yevgeny↗
SEARCH · Engineering Papers
Results for “In situ”
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Validation of the Community Land Model Version 5 over the Contiguous United States (CONUS) using in situ and remote sensing data sets
The Community Land Model (CLM) is an effective tool to simulate the biophysical and biogeochemical processes and their interactions with the atmosphere. Although CLM Version 5 (CLM5) constitutes various updates in these processes, its performance in simulating energy, water and carbon cycles over the Contiguous United States (CONUS) at scales which land surface changes and hydrometeorological and hydroclimatological applications are more locally relevant is yet to be assessed. In this study, we conducted three simulations at 0.125? during 1979-2018 over the CONUS using different configurations of CLM, namely CLM5-biogeochemistry (CLM5BGC), CLM4.5BGC, and CLM5-satellite phenology (CLM5SP). We validated and compared their simulations against multiple remote-sensed and in-situ datasets. Overall, the parametric and structural updates (e.g., carbon cost for nitrogen uptake, variable soil thickness, dry surface layer) in CLM5 improve its ability in capturing terrestrial biogeochemical dynamics. The low evapotranspiration in CLM5BGC is associated with biases in simulating vegetation phenological characteristics rather than soil water limitations. The mismatch between CLM5BGC-simulated peak leaf area index and reference data can be attributed to CLM5BGC's inability in simulating phenology of trees and grasses. The differences between CLM-simulated irrigation and reference estimates can be attributed to differences between processes represented in models and in reality, and uncertainties in input and validation datasets. Evaluation against observations at small catchments suggest that hydrologic parameters needed to be calibrated to improve simulations of runoff, especially subsurface runoff. Additional efforts are needed to incorporate spatially-distributed plant phenology and physiology parameters and regional-specific agricultural management practices (e.g., planting, harvest).
Cheng, Yanyan↗
Quantifying particle-scale 3D granular dynamics during rapid compaction from time-resolved in situ 2D x-ray images
Understanding the particle-scale dynamics of granular materials during rapid compaction and flow is of fundamental importance for manufacturing, planetary science, geology, and defense applications. Time-resolved 2D radiography and static 3D x-ray tomography are powerful in situ tools for studying particle-scale dynamics but provide detail only in 2D or with significant time-scale limitations, respectively. Here, we introduce a new method that uses 2D in situ x-ray imaging for determining time-resolved 3D particle-scale dynamics in rapidly compressed granular materials. The method employs initial particle packing structures obtained from x-ray tomography, a 2D x-ray image generation algorithm, and an optimization algorithm. We first describe and validate the method using finite element simulations. Furthermore, we then apply the technique to x-ray phase-contrast images obtained during rapid compaction of granular materials with varying particle morphology and sample thickness. The depth-resolved particle-scale dynamics reveal complex velocity and porosity fields evolving heterogeneously along and perpendicular to the compaction direction. We characterize these features, their fluctuations near the compaction front, and the compaction front thickness. Our technique can be applied to understanding granular dynamics during rapid compaction events, and rearrangements during slower, but non-quasi-static, flows.
36 MATERIALS SCIENCE↗
Optimization of Source Material for in-situ Arsenic Doping via Vapor Transport Deposition of CdTe Films
In-situ doping of CdTe/CdSeTe films with arsenic is performed using pre-doped source material prepared by high pressure Bridgman (HPB) melt growth. Arsenic level in the source material is varied from 1018-1020 cm-3. Correspondingly, dopant incorporation in the films prepared using vapor transport deposition (VTD) varied from 3x1017 cm-3–1x1018cm-3. In this range, dopant activation is found to inversely correlate with the dopant incorporation, suggesting compensation. The results from this study indicate film properties can be adjusted by source material.
41 EE - Solar Energy Technologies Office (EE-4S)↗
2025 Peregrine in-situ monitoring and training dataset for laser powder bed fusion and binder jet printers
Peregrine, a software tool developed at Oak Ridge National Laboratory (ORNL), was used to collect and analyze in-situ monitoring (ISM) data from a Concept Laser M2 (Colibrium Additive) laser powder bed fusion (L-PBF) printer and an ExOne Innovent (Desktop Metal) binder jet printer. Data for four builds (print jobs) were saved to HDF5 (high performance data) files for release. Additionally, process anomalies were annotated by the authors across 37 image stacks (i.e., print layers) and are also provided as HDF5 files.
36 MATERIALS SCIENCE↗
Radiation testing of composite materials, in situ versus ex situ effects
The effect of post irradiation test environments on tensile properties of representative advanced composite materials (T300/5208, T300/934, C6000/P1700) was investigated. Four ply (+ or - 45 deg/+ or - 45 deg) laminate tensile specimens were exposed in vacuum up to a bulk dose of 1 x 10 to the 10th power rads using a mono-energetic fluence of 700 keV electrons from a Van de Graaff accelerator. Post irradiation testing was performed while specimens were being irradiated (in situ data), in vacuum after cessation of irradiation (in vacuo data), and after exposure to air (ex situ data). Room temperature and elevated temperature effects were evaluated. The radiation induced changes to the tensile properties were small. Since the absolute changes in tensile properties were small, the existance of a post irradiation test environment effect was indeterminate.
Kurland, R. M.↗
In situ stratospheric measurements of HNO3 and HCl near 30 km using the balloon-borne laser in situ sensor tunable diode laser spectrometer
In situ stratospheric measurements of the concentrations of the reservoir species HNO3 and HCl made during two flights of the high-resolution (0.0005/cm) balloon-borne laser in situ sensor instrument from Palestine, Texas, are reported. A measured HNO3 volume mixing ratio of 4.3 parts per billion by volume (ppbv) at 31 km altitude is about 1 ppbv larger than previously reported measurements at 32 deg N. An HCl mixing ratio of 1.6 ppbv at 29 km is in agreement with values obtained from earlier remote sensing techniques within the experimental uncertainties. Upper limits at 31 km of 0.4 ppbv for H2O2 and 0.2 ppbv for HOCl are also derived from analyses of spectra recorded near 1252/cm.
May, R. D.↗
In Situ Diffraction and Ex Situ Transmission X‐Ray Microscopy Studies of Solid‐State Upcycling for NMC Cathodes
Upcycling of recycled LiNi 0.6 Mn 0.2 Co 0.2 O 2 (NMC622) cathodes offers an economical route to produce cathode materials with increased energy density (i.e., LiNi 0.8 Mn 0.1 Co 0.1 O 2 , NMC811) that meet the performance needs of present-day electric vehicles. In this work, solid-state upcycling of NMC622 via calcination with Ni(OH) 2 and LiOH was monitored using in situ synchrotron powder X-ray diffraction measurements. Sequential Rietveld refinements indicate that the calcination proceeds by initially converting Ni(OH) 2 to a rocksalt NiO phase followed by lithiation of NiO to form LiNiO 2 (LNO), with both NMC and LNO phases present in nearly equal proportions at the calcination endpoint. Variable-energy transmission X-ray microscopy tomograms of upcycled samples reveal that the NMC and LNO domains are intermixed at sub-micron length scales. Depth-dependent analysis of multi-elemental fitting maps matches the expected NMC811 composition at the secondary particle level and indicates that transition metal diffusion is not limited by the secondary particle size.
cathode upcycling↗
Examining material constitutive response under dynamic compression and large plastic strains using in situ imaging of hole closure
Abstract not provided
Lind, Jonathan↗
In-situ study of the crystallization of amorphous CuInSe2 thin films and the effect of InCl3 treatment
Not provided.
Materials Science↗
Thermal Unequilibrium of PdSn Intermetallic Nanocatalysts: From In Situ Tailored Synthesis to Unexpected Hydrogenation Selectivity
Effective control on chemoselectivity in the catalytic hydrogenation of C=O over C=C bonds is uncommon with Pd-based catalysts because of the favored adsorption of C=C bonds on Pd surface. Here we report a unique orthorhombic PdSn intermetallic phase with unprecedented chemoselectivity toward C=O hydrogenation. We observed the formation and metastability of this PdSn phase in situ. During a natural cooling process, the PdSn nanoparticles readily revert to the favored Pd 3 Sn 2 phase. Instead, using a thermal quenching method, we prepared a pure-phase PdSn nanocatalyst. Furthermore, PdSn shows an >96% selectivity toward hydrogenating C=O bonds of various α,β-unsaturated aldehydes, highest in reported Pd-based catalysts. Further study suggests that efficient quenching prevents the reversion from PdSn- to Pd 3 Sn 2 -structured surface, the key to the desired catalytic performance. Density functional theory calculations and analysis of reaction kinetics provide an explanation for the observed high selectivity.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
AFRL Additive Manufacturing Modeling Series: Challenge 4, In Situ Mechanical Test of an IN625 Sample with Concurrent High-Energy Diffraction Microscopy Characterization
In this work, we describe 3D characterization of an additively manufactured Inconel 625 nickel-base superalloy specimen conducted during a uniaxial tension test using a suite of nondestructive x-ray techniques. High-energy diffraction microscopy in both near- and far-field modalities are employed in situ to track evolution of the material orientation and stress–strain fields at six points during the mechanical test, and these data streams are registered with micro-computed tomography reconstructions which probe the material density. This data volume was matched to a multi-modal serial sectioning characterization of the specimen taken after loading, described in this article’s companion. Twenty-eight grains which were monitored throughout the experiment were selected to form the basis for AFRL AM Modeling Series Challenge 4, Microscale Structure-to-Properties.
36 MATERIALS SCIENCE↗
In-situ synchrotron X-ray micro-diffraction investigation of ultra-low-strain deformation microstructure in laminated Ti-Al composites
An ultra-low-strain deformation microstructure was revealed for the first time non-destructively in the bulk interior of an annealed laminated Ti-Al composite-in the "fully recrystallized" Al layer-by a synchrotron-based micro-diffraction technique, namely differential aperture X-ray microscopy (DAXM), through real space mapping with a very high angular resolution (0.01 degrees). This ultra-low-strain deformation microstructure was found to result from the thermal stress, induced during cooling after annealing, due to the different coefficients of thermal expansion for the Ti and Al layers. The annealed sample was further tensile deformed to a strain of 1.66% and followed by in situ DAXM and analyzed by various misorientation mapping methods. The results pointed to the important effects of the initial microstructure and the interface constraint, as well as the grain size and crystal orientation, on the plastic deformation. A gradient in dislocation density from the layer interface to the center was found in the Al layer of the annealed sample, and this gradient increased slightly during tensile deformation. The variation of the dislocation density was further discussed based on the activation and interaction of dislocations in grains of different sizes and orientations during plastic deformation. The findings of this study provided valuable insights in understanding the constraint effect of the laminated metal composite and the design of novel composite materials. (c) 2020 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
Crystallographic orientation↗
In situ characterization of foam morphology during melting of simulated waste glass using x-ray computed tomography
Not Available
Luksic, Steven A.↗
In-situ high-energy X-ray diffraction and crystal plasticity modeling to predict the evolution of te
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Ferreri, Nicholas C.↗
Mechanistic insights into selective oxidation and corrosion of multi-principal element alloys from high resolution and in situ microscopy
Multiple principal elements alloys (MPEAs) have drawn significant recent interest from the metallurgical research community. These novel alloys have the potential to replace traditional alloys with a range of tailored mechanical properties, corrosion resistance, and radiation tolerance enabled by complex compositions. The broad alloy design space of MPEAs presents a great opportunity to discover new forms of oxidation and corrosion resistance in extreme environments that break away from conventional corrosion resistant alloy design criteria. However, understanding the oxidation and corrosion response of MPEAs can be a challenging task due the complex composition, structural, and chemical state changes occurring in the corrosion product and at its interface with the base alloy. This perspective discusses the utility of high resolution and in situ microscopy techniques for revealing unique aspects of MPEA oxidation behavior at the near-atomic level. Challenges of studying these alloys and several open questions are presented.
Kautz, Elizabeth J.↗