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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 1,441 records · Page 80
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Microstructure Evolution and Effect on Resistivity for Cu Nanointerconnects and Beyond

In this paper, we investigate the microstructure evolution in Cu, Co and Ru nanointerconnects and the scaling effect on resistivity. The scaling effect on microstructure of Cu interconnects was analyzed to the 24 nm linewidth for the 14 nm node using a high-resolution TEM precession microdiffraction technique. The TEM study was supplemented by a Monte Carlo simulation to investigate grain growth in nanointerconnects based on local energy minimization. The scaling effect on electrical resistivity was analyzed for Cu, Ru and Co nanointerconnects, taking into account the contributions from surface and grain boundary scatterings. The results for Cu and Co are consistent with recent experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Theoretical Correlation of Elemental Distribution of Nd and Pr in Ce-Fe-B Microstructure With Hard Magnetic Properties

Relatively resource-rich but property inferior-Ce-Fe-B magnet can be improved by partial replacement of Ce by Nd and/or Pr. In addition to the amount of Nd/Pr, their distribution profile in microstructure plays an important role. From our first principles density functional theory (DFT) calculation, the substitution energy of Ce by Pr/Nd is negative in Ce 2 Fe 14 B (2:14:1) while that for laves phase, CeFe 2 is positive, implying that Nd/Pr stabilize 2:14:1 and suppress the formation of the CeFe 2 phase. Further, micromagnetic simulation indicates that homogenized distribution of Nd/Pr improves squareness of demagnetization curve, while core (Ce-rich)-shell (Nd/Pr-rich) 2:14:1 grain structure enhances coercivity. Magnetic properties of Ce-Fe-B can be optimized by manipulating distribution profile of chemical element in microstructure based on their subtle difference in thermodynamic property, which is an effective pathway to design optimized chemical composition and processing route for high-performance magnet.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Latent Pitfalls in Microstructure-Based Modeling for Thermally Aged 9Cr-1Mo-V Steel (Grade 91)

A case study was conducted on a mechanistic model development that predicted tensile strength deterioration with thermal aging of 9Cr-1Mo-V steel in supporting the 60-year design life expected for advanced nuclear reactors. For property prediction beyond practical testing times, mechanistic modeling is highly desired, as it taps into the physics of structure–property relationships and therefore can generate reliable results for extrapolation. Meanwhile, as mechanistic models are often complicated, reflecting the intricacy of microstructure and strengthening mechanisms, pitfalls that are difficult to detect often exist. Here, this paper discusses latent pitfalls that are common in mechanistic modeling or specific in this 9Cr-1Mo-V case development through using the American Society of Mechanical Engineers verification and validation in computational solid mechanics (ASME V&V 10) standard for evaluating credibility of modeling in materials engineering. Suggestions are also made for enhancing reliability of microstructure-based modeling.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Microstructure and mechanical properties of Ti–B–C–N–Si nanocomposite films deposited by unbalanced magnetron sputtering

Quinary Ti–B–C–N–Si nanocomposite thin films were deposited on AISI 304 stainless steel substrates by d.c. unbalanced magnetron sputtering from a TiB{sub 2}–TiC compound target and a pure Si target. The relationship between microstructure and mechanical properties of the films was investigated in terms of the nanosized crystallites/amorphous system. The synthesized Ti–B–C–N–Si films were characterized using x-ray diffraction, x-ray photoelectron spectroscopy, atomic force microscopy, and high resolution transmission electron microscopy. The results showed that the Ti–B–C–N–Si films were nanocomposites composed of nanosized TiB{sub 2}, TiC, and TiSi{sub 2} crystallites (2-3 nm in size) embedded in an amorphous matrix. The addition of Si to the Ti–B–C–N film led to precipitation of nanosized crystalline TiSi{sub 2} and percolation of amorphous SiC phases. The Ti–B–C–N–Si films with up to 7 at. % Si content presented high hardness (≥35 GPa), H/E (≥0.0095), and W{sub e} (>50%) with compressive residual stress (∼0.5 GPa). A systematic investigation on the microstructure and mechanical properties of Ti–B–C–N–Si films containing different Si contents is reported.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Correlation between microstructure and thermionic electron emission from Os-Ru thin films on dispenser cathodes

Osmium-ruthenium films with different microstructures were deposited onto dispenser cathodes and subjected to 1000 h of close-spaced diode testing. Tailored microstructures were achieved by applying substrate biasing during deposition, and these were evaluated with scanning electron microscopy, x-ray diffraction, and energy dispersive x-ray spectroscopy before and after close-spaced diode testing. Knee temperatures determined from the close-spaced diode test data were used to evaluate cathode performance. Cathodes with a large (10-11) Os-Ru film texture possessed comparatively low knee temperatures. Furthermore, a low knee temperature correlated with a low effective work function as calculated from the close-spaced diode data. It is proposed that the formation of strong (10-11) texture is responsible for the superior performance of the cathode with a multilayered Os-Ru coating.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Vapor deposition on doublet airfoil substrates: Control of coating thickness and microstructure

Gas jet assisted vapor deposition processes for depositing coatings are conducted at higher pressures than conventional physical vapor deposition methods, and have shown promise for coating complex shaped substrates including those with non-line-of-sight (NLS) regions on their surface. These regions typically receive vapor atoms at a lower rate and with a wider incident angular distribution than substrate regions in line-of-sight (LS) of the vapor source. To investigate the coating of such substrates, the thickness and microstructure variation along the inner (curved) surfaces of a model doublet airfoil containing both LS and NLS regions has been investigated. Results from atomistic simulations and experiments confirm that the coating's thickness is thinner in flux-shadowed regions than in other regions for all the coating processes investigated. They also indicated that the coatings columnar microstructure and pore volume fraction vary with surface location through the LS to NLS transition zone. A substrate rotation strategy for optimizing the thickness over the entire doublet airfoil surface was investigated, and led to the identification of a process that resulted in only small variation of coating thickness, columnar growth angle, and pore volume fraction on all doublet airfoil surfaces.

42 ENGINEERING↗
DOE OSTI2016

Effect of microstructural evolution on mechanical and tribological properties of Ti-doped DLC films: How was an ultralow friction obtained?

This paper examined the evolution of microstructure and its effect on the mechanical and tribological properties of ultralow friction Ti-doped diamondlike carbon (DLC) films, by adjusting the CH{sub 4}/Ar ratio under constant radio frequency discharge power and bias. The Raman, high resolution transmission electron microscopy, atomic force microscope and nanoindentation measurements consistently reveal or indicate the formation of curved graphene sheets or fullerenelike nanostructures with increasing CH{sub 4}/Ar ratio. The superior frictional performance (0.008–0.01) of Ti-DLC films can be attributed to the special microstructure related to the development of embedded fullerenelike nanostructures as a result of incorporation of TiO{sub 2} clusters. The contributing factors include high hardness and cohesion, excellent toughness, high load-bearing capacity, as well as the ultralow shear resistance transform layer and the excellent antioxidation stability brought by the doped Ti.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Dynamics of the microstructure of current channels and the generation of high-energy electrons in nanosecond discharges in air

The results of the three-dimensional numerical simulation of the dynamics of the microstructure of high-voltage nanosecond discharges in air at atmospheric pressure are presented. It is established that the fast (at a time of ≈10 ns) broadening and significant decrease in the gas concentration in the microchannels occur as a result of the ohmic heating of microchannels with the diameter of 1–30 μm. It was shown that the broadening of microchannels in a nanosecond diffusive discharge provides an increase in the ratio of the electric field strength to the gas concentration in microchannels to values sufficient for the generation highenergy electron beams and X-ray bremsstrahlung in them. Features of the dynamics of the system of microchannels and its effect on the efficiency of the generation of high-energy electrons in discharges developing in the microstructuring regime of the current channels are considered.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Formation and Properties of Locally Tensile Strained Ge Microstructures for Silicon Photonics

The formation and properties of locally tensile strained Ge microstructures (“microbridges”) based on Ge layers grown on silicon substrates are investigated. The elastic-strain distribution in suspended Ge microbridges is analyzed theoretically. This analysis indicates that, in order to attain the maximum tensile strain within a microbridge, the accumulation of strain in all corners of the fabricated microstructure has to be minimized. Measurements of the local strain using Raman scattering show significant enhancement of the tensile strain from 0.2–0.25% in the initial Ge film to ~2.4% in the Ge microbridges. A considerable increase in the luminescence intensity and significant modification of its spectrum in the regions of maximum tensile strain in Ge microbridges and in their vicinity as compared to weakly strained regions of the initial Ge film is demonstrated by microphotoluminescence spectroscopy.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Influence of Annealing Temperature on the Microstructure and Morphology of TiN Films Synthesized by Dual Magnetron Sputtering

TiN films synthesized on leucosapphire substrates by dual magnetron sputtering have been annealed in vacuum at 600, 700, 800, and 900°C for 2 min. The microstructure and morphology of the films have been studied by X-ray diffraction and scanning electron microscopy at different temperatures. It has been found that annealing changes the microstructure, texture, grain size, and surface roughness of the TiN films.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Femtosecond Laser Writing of Waveguide Microstructures in Pb(Zr,Ti)O{sub 3} Films and Their Characterization by the Nonlinear Optical Method

Femtosecond laser writing of ferroelectric one-dimensional microstructures possessing waveguide and nonlinear optical properties in Pb(Zr,Ti)O{sub 3} films is considered, and the passage of light beams via obtained waveguide structures is traced. The optimum speed and power density of the writing laser beam are within 50–500 μm/s and 1–1.5 MW/cm{sup 2}, respectively. A two-stage method of writing is proposed, which provides for improved nonlinear optical properties of obtained waveguide microstructures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Microstructural Evolution and ORR Activity of Nanocolumnar Platinum Thin Films with Different Mass Loadings Grown by High Pressure Sputtering

Nanocolumnar platinum thin films (Pt-TFs) with different Pt mass loadings were grown by high pressure sputtering (HIPS) and investigated as oxygen reduction reaction (ORR) electrocatalysts for polymer electrolyte membrane fuel cell applications. Mass loading was controlled by changing the sputter deposition time. A cauliflower-like columnar microstructure was achieved by depositing the Pt-TFs onto a microporous layer (MPL)-like surface composed of carbon particles in order to mimic catalyst-coated gas diffusion electrodes. Microstructural evolution of HIPS Pt-TFs and their ORR activity were investigated. Electrochemical characterization of the nanocolumnar Pt-TFs was performed by cyclic voltammetry and rotating disk electrode measurements on Pt-TF/MPL-like-layer/glassy-carbon samples in an aqueous perchloric acid electrolyte. The electrochemically active surface area increased from 18 to 39 m 2 g –1 as the Pt mass loading was decreased. Specific activity of the films was similar (~600 μA cm –2 ) for all Pt mass loadings, due to the similar nanoparticle sizes of ~5 nm as observed by transmission electron microscopy and X-ray diffraction. Furthermore, mass activity of the films increased from 0.11 to 0.26 A mg –1 as the Pt mass loading was decreased, which is an indication of the effective Pt utilization and better access through the catalyst layer at lower Pt mass loadings.

08 HYDROGEN↗
DOE OSTI2017

Microstructural Analysis and Transport Resistances of Low-Platinum-Loaded PEFC Electrodes

In this study, we present microstructural characterization for polymer electrolyte fuel cell (PEFC) cathodes with low platinum loadings (low-PGM). The characterization results are used to quantify the contribution of mass transport resistances to cell voltage losses observed in polarization curve data. Three-dimensional pore morphology and ionomer distribution are resolved using nano-scale X-ray computed tomography (nano-CT). Electrode structural properties are reported along with analysis of the impact of microstructure on the effective charge and reactant transport properties. These characterizations are incorporated with a two-dimensional multi-physics model that accounts for energy, charge, and mass transport along with the effect of liquid water flooding. Defining a total mass transport resistance for the whole polarization curve, contributions of transport mechanisms are identified. Analysis of the experimental polarization curves at different operating pressures and temperatures indicates that the mass transport resistance in the cathode is dominated by the transport processes in the electrode. It is shown that flooding in the electrode is a major contributor to transport losses especially at elevated operating pressures while the pressure-independent resistance at the catalyst surface due to transport through the ionomer film plays a significant role, especially at low temperatures and low catalyst loading. In addition, by performing a parametric study for varying catalyst loadings, the importance of electrode roughness (i.e, electrochemically-active surface area/geometric electrode area) in determining the mass transport losses is highlighted.

25 ENERGY STORAGE↗
DOE OSTI2025

Establishing model credibility for process-microstructure-property relationships in additive manufacturing using exascale computing

Additive Manufacturing (AM) of alloys holds significant promise as a disruptive technology in various industries, yet its adoption is often hindered by challenges in achieving consistent part quality. These issues are primarily due to the complex process-microstructure-property (PSP) relationships inherent to AM. Computational models can greatly aid in understanding these relationships, but their widespread impact and adoption has been limited by a lack of validated, open-source, and computationally efficient PSP modeling frameworks and hardware limitations. Here, this study leverages the ExaAM software suite and data from the AMBench-2018 series of laser powder bed fusion (LPBF) benchmark experiments to perform a comprehensive model assessment, including verification, validation, sensitivity analysis, and uncertainty quantification. The RADICAL-EnTK workflow manager was used to perform an ensemble of heat transport, solidification, and mechanical response simulations on the exascale computer Frontier, considering uncertainties in critical model inputs such as laser spot size and nucleation parameters, and consisting of 125 explicit grain structure simulations and 7875 crystal plasticity simulations. For a selected location within the Inconel 625 AMBench-2018 test artifact, sensitivity analysis and uncertainty quantification were performed using the predicted distributions of grain structure and mechanical properties. Qualitative agreement was found between the predicted grain size and texture and the observed AMBench-2018 microstructure, the mean predicted yield stress was within 5% of the experimental measurement mean, and the mean predicted engineering stress at 5% strain was within 10% of the experimental measurement mean. The insights gained from development and validation of the ExaAM PSP modeling framework will help guide future directions for enhancing the credibility and reliability of PSP models in AM, thereby accelerating the adoption of AM technologies in various industries.

Additive manufacturing↗
DOE OSTI2016

Synthesis and microstructure of electrodeposited and sputtered nanotwinned face-centered-cubic metals

The remarkable properties of nanotwinned (NT) face-centered-cubic (fcc) metals arise directly from twin boundaries, the structures of which can be initially determined by growth twinning during the deposition process. When we understand the synthesis process and its relation to the resulting microstructure, and ultimately to material properties, we realize how key it is to understanding and utilizing these materials. Furthermore, our article presents recent studies on electrodeposition and sputtering methods that produce a high density of nanoscale growth twins in fcc metals. Nanoscale growth twins tend to form spontaneously in monolithic and alloyed fcc metals with lower stacking-fault energies, while engineered approaches are necessary for fcc metals with higher stacking-fault energies. Finally, growth defects and other microstructural features that influence nanotwin behavior and stability are introduced here, and future challenges in fabricating NT materials are highlighted.

36 MATERIALS SCIENCE↗
DOE OSTI2018

SOFC Microstructures (PFIB-SEM and synthetic) from JPS 2018

This is the microstructural data used in the publication "Mesoscale characterization of local property distributions in hetergeneous electrodes" by Tim Hsu, William K. Epting, Rubayyat Mahbub, et al., published in the Journal of Power Sources in 2018. (DOI 10.1016/j.jpowsour.2018.03.025). Included are a commercial cathode and anode active layer (Materials and Systems Research, Inc., Salt Lake City, UT) imaged by Xe plasma FIB-SEM (FEI, Hillsboro, OR), and four synthetic microstructures of varying particle size distribution widths generated by DREAM3D (BlueQuartz Software, Springboro, OH). For the MSRI electrodes, both the original greyscale and the segmented versions are provided. Each .zip file contains a "stack" of .tif image files in the Z dimension, and an .info ascii text file containing useful information like voxel sizes and phase IDs. More details can be found in the pertinent publication at http://dx.doi.org/10.1016/j.jpowsour.2018.03.025.

FIB-SEM,SOFC,microstructure↗
DOE OSTI2018

Laser Weld Geometry and Microstructure of Cast Uranium-6 wt% Niobium Alloy

Laser welding was performed on a U6 wt% Nb uranium alloy using a 400W solid state laser with welding speeds from 20 to 2,500 mm/s. This speed range spanned melt pool sizes from traditional welding to surface modification and additive manufacturing. With increasing scan speed, the ratio of weld length relative to depth and width increased, with melt pool lengths being more than 5x greater than the width and 10x greater than the depth at the highest speeds. Keyhole mode welds were shown to occur at low speeds, while conduction mode welds occurred at 700 mm/s or higher as the weld depth dropped off more rapidly than width at higher speeds. Microstructures that form at the boundary between the fusion zone and base metal were observed to have a nonconventional appearance consisting of interpenetrating dark and light contrast phases before cells or dendrites appear. Dendrites with secondary arms form from this boundary in keyhole welds and refine to no visible secondary arms near the weld center. Primary and secondary dendrite arms, where present, were shown to refine in size inversely with cooling rate raised to the 0.465 and 0.376 powers respectively. Dendrites were largely absent from the conduction mode welds at higher speeds, and were replaced by a banded microstructure, that appears to form by an oscillatory solidification front mechanism.

36 MATERIALS SCIENCE↗