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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 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Super-resolution model for overlapping peak detection and improved spatial resolution in high-energy diffraction microscopy

Reconstruction quality in Far-field High-Energy Diffraction Microscopy (FF-HEDM) is limited by the spatial resolution of area detectors and the frequent occurrence of overlapping diffraction spots. To address these challenges, we developed a super-resolution (SR) framework using convolutional neural networks (CNNs) to recreate 2D diffraction peaks at up to ×8 resolution from raw detector data. A specialized simulation tool was created to generate synthetic training datasets with varying degrees of peak overlap. Integrated into the Microstructural Imaging using Diffraction Analysis Software (MIDAS), the SR model improves the spatial accuracy and precision of 3D grain reconstruction by an order of magnitude. This approach provides a robust solution for investigation of complex micromechanical states and material classes where the analysis is limited by the presence of overlapping peaks. Furthermore, the methodology developed here can potentially be extended to other techniques that require sub-pixel accuracy for high-fidelity data analysis.

High-energy diffraction microscopy↗
DOE OSTI2023

Effect of Re and Al additions on the microstructure and mechanical properties of Nb-18Ti-12W alloy

Microstructure and mechanical properties at 25–1200 °C of new refractory alloys, Nb-18Ti-12W (NTW), Nb-18Ti-12W-5Re (NTW-R) and Nb-18Ti-12W-5Re-1Al (NTW-RA), all compositions are in atomic percent, are reported. The alloys are developed as an alternative to a denser, more expensive and difficult-to-process refractory alloy WC-3009. After production by arc melting and hot isostatic pressing at 1400 °C, 207 MPa for 3 h, the alloys have a BCC crystal structure with the average grain size of ~150–200 μm and contain low volume fraction of (Ti,N)-rich precipitates near grain boundaries. NTW shows excellent malleability at all studied temperatures. Its yield stress at 25 °C, 1000 °C and 1200 °C is 874 MPa, 353 MPa and 202 MPa, respectively. The NTW-R and NTW-RA alloys are stronger at all the studied temperatures; however, they lack in compression ductility at 25 °C. As a result, extensive deformation twinning and formation of intergranular voids precede the fracture of these two alloys at 25 °C.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Isolating intermediate Mg 11 Cu 6 Al 12 phase in ternary Mg-Cu-Al alloy by electrolytic dealloying

While dealloying is widely used to create nanoporous materials, it has rarely been employed to isolate difficult-to-synthesize intermediate phases. Here, in this work, we show how air-free, electrolytic dealloying at room temperature can be used to isolate the ternary intermetallic Mg 11 Cu 6 Al 12 phase. We create a ternary Mg-Cu-Al parent alloy containing the Mg 11 Cu 6 Al 12 compound and other phases, then subsequently remove these other phases via electrolytic dealloying to isolate the Mg 11 Cu 6 Al 12 phase. Isolated Mg 11 Cu 6 Al 12 phase exhibits ≈1 μm diameter rod-shaped microstructure. Phase and chemical analysis conducted using various techniques, including inductively coupled plasma and lab and synchrotron-based X-ray diffraction, show minimal impurities. This new approach to isolate the Mg 11 Cu 6 Al 12 phase can unlock its use in fundamental research and can be applied to other difficult-to-synthesize intermetallic compounds.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Nanoparticle diffusion in sheared cellular blood flow

Using a multiscale blood flow solver, the complete diffusion tensor of nanoparticles (NPs) in sheared cellular blood flow is calculated over a wide range of shear rate and haematocrit. In the short-time regime, NPs exhibit anomalous dispersive behaviors under high shear and high haematocrit due to the transient elongation and alignment of the red blood cells (RBCs). In the long-time regime, the NP diffusion tensor features high anisotropy. Particularly, there exists a critical shear rate ( ${\sim}100~\text{s}^{-1}$ ) around which the shear-rate dependence of the diffusivity tensor changes from linear to nonlinear scale. Above the critical shear rate, the cross-stream diffusivity terms vary sublinearly with shear rate, while the longitudinal term varies superlinearly. The dependence on haematocrit is linear in general except at high shear rates, where a sublinear scale is found for the vorticity term and a quadratic scale for the longitudinal term. Through analysis of the suspension microstructure and numerical experiments, the nonlinear haemorheological dependence of the NP diffusion tensor is attributed to the streamwise elongation and cross-stream contraction of RBCs under high shear, quantified by a capillary number. The RBC size is shown to be the characteristic length scale affecting the RBC-enhanced shear-induced diffusion (RESID), while the NP submicrometre size exhibits negligible influence on the RESID. Based on the observed scaling behaviours, empirical correlations are proposed to bridge the NP diffusion tensor to specific shear rate and haematocrit. As a result, the characterized NP diffusion tensor provides a constitutive relation that can lead to more effective continuum models to tackle large-scale NP biotransport applications.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

A multimodal approach to revisiting oxidation defects in Cr 2 O 3

The oxidation of chromium in air at 700 °C was investigated with a focus on point defect behavior and transport during oxide layer growth. A comprehensive set of characterization techniques targeted characteristics of chromium oxide microstructure and chemical composition analysis. TEM showed that the oxide was thicker with longer oxidation times and that, for the thicker oxides, voids formed at the metal/oxide interface. PAS revealed that the longer the oxidation time, there was an overall reduction in vacancy-type defects, though chromium monovacancies were not found in either case. EIS found that the longer oxidized material was more electrochemically stable and that, while all oxides displayed p-type character, the thicker oxide had an overall lower charge carrier density. Together, the results suggest anion oxygen interstitials and chromium vacancy cluster complexes drive transport in an oxidizing environment at this temperature, providing invaluable insight into the mechanisms that regulate corrosion.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Experimental and numerical investigations on tailored tempering process of a U-channel component with tailored mechanical properties

Hot stamping of quenchenable ultra high strength steels currently represents a promising forming technology for the manufacturing of safety and crash relevant parts. For some applications, such as B-pillars and other structural components that may undergo impact loading, it may be desirable to create regions of the part with tailored mechanical properties. In the paper, a laboratory-scale hot stamped U-channel was manufactured by using a segmented die, which was heated by cartridge heaters and cooled by water channels independently. Local hardness values as low as 289 HV can be achieved using a heated die temperature of 400°C while maintaining a hardness level of 490 HV in the fully cooled region. If the die temperature was increased to 450°C, the Vickers hardness of elements in the heated region was 227 HV, with a reduction in hardness of more than 50%. Optical microscopy was used to verify the microstructure of the as-quenched phases with respect to the heated die temperatures. The FE model of the lab-scale process was developed to capture the overall hardness trends that were observed in the experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Ag nanowire percolating network embedded in indium tin oxide nanoparticles for printable transparent conducting electrodes

Solution-based printable transparent conducting electrodes consisting of Ag nanowire (NW) and indium tin oxide (ITO) nanoparticles (NPs) were fabricated by simple brush painting at room temperature under atmospheric ambient conditions. Effectively embedding the Ag NW percolating network into the ITO NPs provided a conduction path, led to a metallic conduction behavior of the ITO NPs/Ag NW/ITO NPs multilayer and supplied electrons into the ITO NPs. The optimized ITO NPs/Ag NW/ITO NPs multilayer showed a sheet resistance of 16.57 Ω/sq and an optical transparency of 79.50% without post annealing. Based on high resolution transmission electron microscope analysis, we investigated the microstructure and interface structure of the ITO NPs/Ag NW/ITO NPs multilayer electrodes and suggested a possible mechanism to explain the low resistivity of the multilayers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

A numerical study of the phase behaviors of drug particle/star triblock copolymer mixtures in dilute solutions for drug carrier application

The complex microstructures of drug particle/ABA star triblock copolymer in dilute solutions have been investigated by a theoretical approach which combines the self-consistent field theory and the hybrid particle-field theory. Simulation results reveal that, when the volume fraction of drug particles is smaller than the saturation concentration, the drug particle encapsulation efficiency is 100%, and micelle loading capacity increases with increasing particle volume fraction. When the volume fraction of drug particles is equal to the saturation concentration, the micelles attain the biggest size, and micelle loading capacity reaches a maximum value which is independent of the copolymer volume fraction. When the volume fraction of drug particles is more than the saturation concentration, drug particle encapsulation efficiency decreases with increasing volume fraction of drug particles. Furthermore, it is found that the saturation concentration scales linearly with the copolymer volume fraction. The above simulation results are in good agreement with experimental results.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Microstructure of sheared monosized colloidal suspensions resulting from hydrodynamic and electrostatic interactions

Hydrodynamic and near-particle interactions in sheared suspensions are communicated through suspension microstructure to produce a wide variety of rheological behaviors. To characterize this microstructure, the individual positions of monosized silica particles flowing through a microchannel are obtained with near simulation-level detail. The pair distribution functions of the microstructure at moderate to high Péclet number shear rates are very similar to previous numerical studies. Viscometric functions calculated based on the detailed microstructure obtained through this technique show qualitative agreement with computational results. These results elucidate the origins of shear-thickening of suspensions at high shear rates. While efforts are taken to screen electrostatic interactions to study hydrodynamic and Brownian interactions, the role of electrostatic interaction between particles is also investigated by reducing suspension ionic strength. These non-hydrodynamic electrostatic interactions result in a loss of anisotropy that generally agrees with previous findings of “soft” particle systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Experimental and numerical study of plastic shear instability under high-speed loading conditions

The behavior of specimens dynamically loaded during the split Hopkinson (Kolsky) bar tests in a regime close to simple shear conditions was studied. The lateral surface of the specimens was investigated in a real-time mode with the aid of a high-speed infra-red camera CEDIP Silver 450M. The temperature field distribution obtained at different time made it possible to trace the evolution of plastic strain localization. The process of target perforation involving plug formation and ejection was examined using a high-speed infra-red camera and a VISAR velocity measurement system. The microstructure of tested specimens was analyzed using an optical interferometer-profilometer and a scanning electron microscope. The development of plastic shear instability regions has been simulated numerically.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Numerical study of the effects of surface topography and chemistry on the wetting transition using the string method

Droplets on a solid surface patterned with microstructures can exhibit the composite Cassie-Baxter (CB) state or the wetted Wenzel state. The stability of the CB state is determined by the energy barrier separating it from the wetted state. In this work, we study the CB to Wenzel transition using the string method [E et al., J. Chem. Phys. 126, 164103 (2007); W. Ren and E. Vanden-Eijnden, J. Chem. Phys. 138, 134105 (2013)]. We compute the transition states and energy barriers for a three-dimensional droplet on patterned surfaces. The liquid-vapor coexistence is modeled using the mean field theory. Numerical results are obtained for surfaces patterned with straight pillars and nails, respectively. It is found that on both type of surfaces, wetting occurs via infiltration of the liquid in a single groove. The reentrant geometry of nails creates large energy barrier for the wetting of the solid surface compared to straight pillars. We also study the effect of surface chemistry, pillar height, and inter-pillar spacing on the energy barrier and compare it with nails.

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

Carrier mobilities of (001) cadmium arsenide films

We investigate (001)-oriented films of the topological semimetal cadmium arsenide (Cd 3 As 2 ) grown by molecular beam epitaxy on lattice-matched III–V Al x In 1-x Sb buffer layers. Magnetotransport studies and analysis of thin film microstructures are used to determine the influence of dislocations on their carrier mobilities. We show that only a minority of the threading dislocations present in the buffer layers extend into the Cd 3 As 2 films. Threading dislocations are shown to reduce the mobilities of carriers residing in the topological surface states, while bulk transport was unaffected by a change in the dislocation density across an order of magnitude. Thick (001) Cd 3 As 2 films exhibit electron mobilities of up to 41 000 cm 2 V -1 s -1 at 2 K. The results provide insights into the influence of extended defects on the transport properties of a prototype topological semimetal.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Defect-induced phonon-resonant scattering and its influence on thermal transport of irradiated thorium-dioxide

Thermal transport in proton irradiated thorium-dioxide (ThO 2 ) is investigated. Using a combination of experiments and first-principles computational framework, the role of lattice defects on thermal conductivity is analyzed. A resonant-phonon scattering mechanism beyond the traditionally considered Rayleigh scattering is found to significantly influence low-temperature thermal transport in the presence of irradiation-induced point defects. The existence of localized phonon modes associated with irradiation-induced defects is suggested by the inability of the first-principles based thermal conductivity model—which considers only three-phonon interactions and phonon-defects scattering using the Tamura formalism—to predict the experimental results, unless a resonant scattering mechanism is included. The emergence of additional peaks in the Raman spectra in the proximity of phonon-resonant frequency provides further evidence for the existence of localized modes. Coupled with a microstructure evolution model, this analysis enables more accurate analysis for contrasting the contributions of different phonon scattering mechanisms across all irradiation doses and temperatures.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2012

Resistivity-Microstructure Relationships in Nickel Base Superalloys Used in Gas Turbine Engines for Power Generation and as Interconnects in Solid Oxide Fuel Cells

This report summarizes the results accomplished during this 3-year with funds from this grant. The most important new contribution was the development of a microstructural model, based on analysis of the small angle scattering spectra that can relate the measured electrical resistivity to the precipitate population present in a nickel base superalloy in a quantitative way. A total of 24 research articles were published or were in press at the time the final report was written.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Linear Array Ultrasonic Test Results from Alkali-Silica Reaction (ASR) Specimens

The purpose of the U.S. Department of Energy Office of Nuclear Energy’s Light Water Reactor Sustainability (LWRS) Program is to develop technologies and other solutions that can improve the reliability, sustain the safety, and extend the operating lifetimes of nuclear power plants (NPPs) beyond 60 years. Since many important safety structures in an NPP are constructed of concrete, inspection techniques must be developed and tested to evaluate the internal condition. In-service containment structures generally do not allow for the destructive measures necessary to validate the accuracy of these inspection techniques. This creates a need for comparative testing of the various nondestructive evaluation (NDE) measurement techniques on concrete specimens with known material properties, voids, internal microstructure flaws, and reinforcement locations.This report presents results of the ultrasound evaluation of four concrete slabs with varying levels of ASR damage present. This included an investigation of the experimental results, as well as a supplemental simulation considering the effect of ASR damage by elasto-dynamic wave propagation using a finite integration technique method. It was found that the Hilbert Transform Indicator (HTI), developed for quantification of freeze/thaw damage in concrete structures, could also be successfully utilized for quantification of ASR damage. internal microstructure flaws, and reinforcement locations.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2016

Author Contribution to the Pu Handbook II: Chapter 37 LLNL Integrated Sample Preparation Glovebox (TEM) Section

The development of our Integrated Actinide Sample Preparation Laboratory (IASPL) commenced in 1998 driven by the need to perform transmission electron microscopy studies on naturally aged plutonium and its alloys looking for the microstructural effects of the radiological decay process (1). Remodeling and construction of a laboratory within the Chemistry and Materials Science Directorate facilities at LLNL was required to turn a standard radiological laboratory into a Radiological Materials Area (RMA) and Radiological Buffer Area (RBA) containing type I, II and III workplaces. Two inert atmosphere dry-train glove boxes with antechambers and entry/exit fumehoods (Figure 1), having a baseline atmosphere of 1 ppm oxygen and 1 ppm water vapor, a utility fumehood and a portable, and a third double-walled enclosure have been installed and commissioned. These capabilities, along with highly trained technical staff, facilitate the safe operation of sample preparation processes and instrumentation, and sample handling while minimizing oxidation or corrosion of the plutonium. In addition, we are currently developing the capability to safely transfer small metallographically prepared samples to a mini-SEM for microstructural imaging and chemical analysis. The gloveboxes continue to be the most crucial element of the laboratory allowing nearly oxide-free sample preparation for a wide variety of LLNL-based characterization experiments, which includes transmission electron microscopy, electron energy loss spectroscopy, optical microscopy, electrical resistivity, ion implantation, X-ray diffraction and absorption, magnetometry, metrological surface measurements, high-pressure diamond anvil cell equation-of-state, phonon dispersion measurements, X-ray absorption and emission spectroscopy, and differential scanning calorimetry. The sample preparation and materials processing capabilities in the IASPL have also facilitated experimentation at world-class facilities such as the Advanced Photon Source at Argonne National Laboratory, the European Synchrotron Radiation Facility in Grenoble, France, the Stanford Synchrotron Radiation Facility, the National Synchrotron Light Source at Brookhaven National Laboratory, the Advanced Light Source at Lawrence Berkeley National Laboratory, and the Triumph Accelerator in Canada.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2016

Correlative Microscopy of Alpha Prime Precipitation in Neutron-Irradiated Fe-Cr-Al Alloys

Fe-Cr-Al alloys are currently being considered for accident tolerant light water reactor fuel cladding applications due to their superior high temperature oxidation and corrosion resistance compared to Zr-based alloys. This work represents the current state-of-the-art on both techniques for analysis of α' precipitate microstructures and the processes and mechanisms governing its formation in neutron-irradiated Fe-Cr-Al alloys.

36 MATERIALS SCIENCE↗