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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Seed coat transcriptomic profiling of 5-593, a genotype important for genetic studies of seed coat color and patterning in common bean ( Phaseolus vulgaris L.)

Common bean (Phaseolus vulgaris L.) market classes have distinct seed coat colors, which are directly related to the diverse flavonoids found in the mature seed coat. To understand and elucidate the molecular mechanisms underlying the regulation of seed coat color, RNA-Seq data was collected from the black bean 5-593 and used for a differential gene expression and enrichment analysis from four different seed coat color development stages. 5-593 carries dominant alleles for 10 of the 11 major genes that control seed coat color and expression and has historically been used to develop introgression lines used for seed coat genetic analysis. Pairwise comparison among the four stages identified 6,294 differentially expressed genes (DEGs) varying from 508 to 5,780 DEGs depending on the compared stages. Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis revealed that phenylpropanoid biosynthesis, flavonoid biosynthesis, and plant hormone signal transduction comprised the principal pathways expressed during bean seed coat pigment development. Transcriptome analysis suggested that most structural genes for flavonoid biosynthesis and some potential regulatory genes were significantly differentially expressed. Further studies detected 29 DEGs as important candidate genes governing the key enzymatic flavonoid biosynthetic pathways for common bean seed coat color development. Additionally, four gene models, Pv5-593.02G016100, 593.02G078700, Pv5-593.02G090900, and Pv5-593.06G121300, encode MYB-like transcription factor family protein were identified as strong candidate regulatory genes in anthocyanin biosynthesis which could regulate the expression levels of some important structural genes in flavonoid biosynthesis pathway. These findings provide a framework to draw new insights into the molecular networks underlying common bean seed coat pigment development.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Profile etching for prefiguring X-ray mirrors

A method to pre-shape mirror substrates through etching with a broad-beam ion source and a contoured mask is presented. A 100 mm-long elliptical cylinder substrate was obtained from a super-polished flat Si substrate with a 48 nm root-mean-square (r.m.s.) figure error and a 1.5 Å r.m.s. roughness after one profile-etching process at a beam voltage of 600 V without iteration. A follow-up profile coating can be used to achieve a final mirror. Profile etching and profile coating combined provide an economic way to make X-ray optics, such as nested Kirkpatrick–Baez mirrors.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Stress Profile in Coating Layers of TRISO Fuel Particles in Contact with One Another

This work presents a discussion on a series of finite element analyses that assess stress evolution in the coating layers of tristructural isotropic (TRISO) particles in contact with each other while embedded in a matrix. The initial simulations were of applied uniaxial pressure versus matrix elastic modulus. These simulations predicted increasing stress in the silicon carbide coating layers of the TRISO particles with decreasing matrix elastic modulus. The second set of simulations focused on the effects of heating and cooling and the associated dimensional change on the state of stress in the coating layers. The general finding was that there was no significant difference below the coating layer’s deposition temperature. Although, above the deposition temperature, the contacting particles had higher stress compared with those that were separated. The third set of simulations focused on the effects of irradiation, specifically, creep, dimensional change, and swelling. An interface debonding model was introduced since these potential effects have a significant bearing on predicted stresses.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Command of active and responsive elastomers by topological defects and patterns

The project resulted in the development of stimuli-responsive elastomer coatings formed by photopolymerized liquid crystal molecules. The molecular orientation of the liquid crystal elastomers is coupled to rubber-like elasticity. The project developed an approach to produce complex patterns of molecular orientation in elastomers by employing photopatterning technique based on plasmonic metamasks that convert unpolarized incoming light into a transmitted light beam with spatially-varying linear polarization. The polarization-modulated light beam aligns the film of azodye molecules, which serves as the substrate for liquid crystal elastomer coating. The alignment of the azodye molecules follows the polarization pattern with a phase shift of the alignment direction by 90 degrees. The azodye substrate imposes orientation of molecules in the adjacent liquid crystal layer which is preserved after the monomers are polymerized into a liquid crystal elastomer. By using differently aligned substrates one could produce various patterns of molecular orientation in the elastomer, which dictate the mechanical properties of the elastomers and their response to external stimuli such as temperature, humidity, and ultraviolet irradiation. In particular, the predesigned molecular orientation produces deterministically defined topography response of the liquid crystal coatings, in which their free surface changes from flat to either locally elevated or locally compressed, depending on whether the pre-inscribed molecular orientation is predesigned with a splay or bend deformation. The research established that the mechanism of this deterministic relation between the dynamic topography and pre-inscribed molecular orientation is rooted in the change of the tensorial order parameter that characterizes the degree of orientational order, and in the contraction/expansion of polymer molecules in response to the order parameter changes. In particular, lowering the order causes contraction of polymer globules. The work demonstrated that the dynamic topography of elastomer coatings with three-dimensional pattern of orientational order includes up and down motion of the material (along the normal to the coating) and also shifts in lateral directions. We demonstrate that the deterministic relationship between the orientational patterns and variations of coatings’ profile is caused by forces that are mathematically equivalent to active forces in the system of “pullers” or “pushers” in active matter, demonstrating universality of the out-of-equilibrium behavior. The project resulted in theoretical models that predictively describe the dynamic response of coatings. The topography of liquid crystal elastomers is sensitive to stimuli such as temperature, ultraviolet irradiation, and humidity. The applicability of the patterned approach to produce dynamic coatings was expanded from nematic elastomers to their smectic counterparts. The project combined a battery of imaging techniques to unveil the dynamic properties of the coatings, ranging from the state-of-the-art dynamic holographic microscopy to fluorescent confocal polarizing microscopy and polscope microscopy. The research uncovered potential applications of dynamic elastomer coatings, such as control placement of colloidal particles, engineering of living tissues with alignment patterns of cells that follow the orientational order of elastomer coatings. The approach developed in the project can be used to design programmable dynamic coatings with functionalities that mimic biological tissues such as skin.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Studying the effect of drug-to-excipient ratio on drug release profile for drug coated balloons

Drug-coated balloons (DCB) have emerged as the alternative procedure for restenosis because of their ability to treat a variety of occlusion types with a uniform dose of anti-proliferative drugs. DCB are balloons coated with antiproliferative drugs encapsulated in a polymer matrix. There are several types of coating matrices used to produce DCB. In this study, the relationship between coating composition and drug release under physiologically relevant conditions was examined to understand how differences in coating composition impacts the drug transfer from the balloon surface to the simulated body fluids. To conduct the experiments, the balloons were coated with different paclitaxel (drug)-to-iopromide (excipient) ratios (3:1, 3:2 and 1:2) using an in-house developed micro-pipetting method. Scanning electron microscopy (SEM) images showed that the 3:1 PTX:IOP ratio produced a more uniform, crystalline microstructure with a thinner coating throughout the balloon surface compared to the other drug-to-excipient ratios. The 1:2 PTX:IOP ratio showed the least crystalline microstructure among the three ratios evaluated in this study. Three different drug elution conditions were tested. The amount of drug released to the medium was quantified by high performance liquid chromatography (HPLC). Our soaking study and submerge & deploy study showed that ~20% of the drug transferred to the target site under physiological conditions. A track and deploy method was performed using a “mock” artery, to simulate an in vitro environment. Coated balloons were passed through the mock artery to mimic tracking turns the balloon within the arteries during the angioplasty procedures. Seven elution samples were collected at different stages of the procedure. Finally, drug release results suggest that the higher excipient ratio helps to deliver the lipophilic drug to the target site under simulated conditions but causes higher drug loss during the balloon transfer process.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Study of Scanning Micro-arc Oxidation and Coating Development

Micro-arc oxidation (MAO) continues to be the focus of numerous investigations, whereas relatively few studies have considered scanning micro-arc oxidation (SMAO). In the present work, an experimental study was performed using stationary and moving electrodes to investigate coating development in SMAO and discern the effect of key process parameters. Examination of oxide deposits made on A356 aluminum show that coating thickness and growth rate are inversely related to inter-electrode spacing and travel speed. An evaluation of SMAO deposits made by stationary and moving nozzles revealed that coating thickness profiles follow a Gaussian distribution due to the electrolyte flow field in the impingement zone. Hardness surveys and scanning electron microscope analysis of SMAO coatings revealed that micro-hardness distributions and cross-sectional morphology are similar to MAO for a stationary nozzle but that a denser outer layer develops when a moving nozzle is used. This is attributed to a high density of discharge occurring in micropores of the oxide film and remelting which results from the moving electrolyte column. Analysis of voltage–current characteristic curves shows that the resistance of the electrolyte column is essentially linear over the range considered and results indicate that it can be modeled as a variable length resistor. While further testing is needed, results confirm that SMAO is suitable for coating large, planar parts and for repairing worn surfaces.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Surface Profile and Stress Field Evaluation using Digital Gradient Sensing Method

Shape and surface topography evaluation from measured orthogonal slope/gradient data is of considerable engineering significance since many full-field optical sensors and interferometers readily output accurate data of that kind. This has applications ranging from metrology of optical and electronic elements (lenses, silicon wafers, thin film coatings), surface profile estimation, wave front and shape reconstruction, to name a few. In this context, a new methodology for surface profile and stress field determination based on a recently introduced non-contact, full-field optical method called digital gradient sensing (DGS) capable of measuring small angular deflections of light rays coupled with a robust finite-difference-based least-squares integration (HFLI) scheme in the Southwell configuration is advanced here. The method is demonstrated by evaluating (a) surface profiles of mechanically warped silicon wafers and (b) stress gradients near growing cracks in planar phase objects.

42 ENGINEERING↗
DOE OSTI2023

Learning heterogeneous reaction kinetics from X-ray videos pixel by pixel

Reaction rates at spatially heterogeneous, unstable interfaces are notoriously difficult to quantify, yet are essential in engineering many chemical systems, such as batteries and electrocatalysts. Experimental characterizations of such materials by operando microscopy produce rich image datasets, but data-driven methods to learn physics from these images are still lacking because of the complex coupling of reaction kinetics, surface chemistry and phase separation. Here we show that heterogeneous reaction kinetics can be learned from in situ scanning transmission X-ray microscopy (STXM) images of carbon-coated lithium iron phosphate (LFP) nanoparticles. Combining a large dataset of STXM images with a thermodynamically consistent electrochemical phase-field model, partial differential equation (PDE)-constrained optimization and uncertainty quantification, we extract the free-energy landscape and reaction kinetics and verify their consistency with theoretical models. We also simultaneously learn the spatial heterogeneity of the reaction rate, which closely matches the carbon-coating thickness profiles obtained through Auger electron microscopy (AEM). Across 180,000 image pixels, the mean discrepancy with the learned model is remarkably small (<7%) and comparable with experimental noise. Our results open the possibility of learning nonequilibrium material properties beyond the reach of traditional experimental methods and offer a new non-destructive technique for characterizing and optimizing heterogeneous reactive surfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Composition, Structure, and Mechanical Properties of (Ti–Hf)N Coatings on Titanium Alloy

Variations of the composition, structure, and mechanical properties (hardness, elastic modulus) of (Ti–Hf)N coatings with increasing Hf content (Ti : Hf ratio) are reported. As test samples, VT6 titanium alloy plates covered by a magnetron-sputtered titanium hafnium nitride coating have been taken. To see how the coating characteristics depend on Hf content, samples with rated compositions (Ti{sub 0.9}Hf{sub 0.1})N, (Ti{sub 0.85}Hf{sub 0.15})N, (Ti{sub 0.8}Hf{sub 0.2})N, and (Ti{sub 0.7}Hf{sub 0.3})N have been studied. The surface and depth element distributions have been found, and the phase composition and the dependence of the titanium nitride lattice parameter on Hf content in the coating have been determined. The depth profiling of a coating’s hardness and elastic modulus has been conducted by instrumental indentation. Hardness and elastic modulus have been found to be maximal (~35 and ~500 GPa, respectively) in (Ti{sub 0.85}Hf{sub 0.15})N and (Ti{sub 0.8}Hf{sub 0.2})N coatings. In addition, the depth distribution of Hf in these coatings has turned out to be most uniform.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Learning heterogeneous reaction kinetics from X-ray movies pixel-by-pixel

Reaction rates at spatially heterogeneous, unstable interfaces are notoriously difficult to quantify, yet are essential in engineering many chemical systems, such as batteries 1 and electrocatalysts 2. Experimental characterizations of such materials by operando microscopy produce rich image datasets 3–6, but data-driven methods to learn physics from these images are still lacking because of the complex coupling of reaction kinetics, surface chemistry and phase separation 7. Here we show that heterogeneous reaction kinetics can be learned from in situ scanning transmission X-ray microscopy (STXM) images of carbon-coated lithium iron phosphate (LFP) nanoparticles. Combining a large dataset of STXM images with a thermodynamically consistent electrochemical phase-field model, partial differential equation (PDE)-constrained optimization and uncertainty quantification, we extract the free-energy landscape and reaction kinetics and verify their consistency with theoretical models. We also simultaneously learn the spatial heterogeneity of the reaction rate, which closely matches the carbon-coating thickness profiles obtained through Auger electron microscopy (AEM). Across 180,000 image pixels, the mean discrepancy with the learned model is remarkably small (<7%) and comparable with experimental noise. Our results open the possibility of learning nonequilibrium material properties beyond the reach of traditional experimental methods and offer a new non-destructive technique for characterizing and optimizing heterogeneous reactive surfaces.

Chueh, William↗
DOE OSTI2020

Dynamically morphing microchannels in liquid crystal elastomer coatings containing disclinations

Liquid crystal elastomers (LCEs) hold a major promise as a versatile material platform for smart soft coatings, since their orientational order can be predesigned to program a desired dynamic profile. In this work, we introduce temperature-responsive dynamic coatings based on LCEs with arrays of singular defects-disclinations that run parallel to the surface. The disclinations form in response to antagonistic patterns of the molecular orientation at the top and bottom surfaces, imposed by the plasmonic mask photoalignment. Upon heating, an initially flat LCE coating develops linear microchannels located above each disclination. The stimulus that causes a non-flat profile of LCE coatings upon heating is the activation force induced by the gradients of molecular orientation around disclinations. To describe the formation of microchannels and their thermal response, we adopt a Frank-Oseen model of disclinations in patterned director field and propose a linear elasticity theory to connect the complex spatially-varying molecular orientation to the displacements of the LCE. The thermo-responsive surface profiles predicted by the theory and by the finite element modeling are in good agreement with the experimental data; in particular, higher gradients of molecular orientation produce a stronger modulation of the coating profile. The elastic theory and the finite element simulations allow us to estimate the material parameter that characterizes the elastomer coating’s response to the thermal activation. The disclinations containing LCEs show potential as soft dynamic coatings with a predesigned responsive surface profile.

36 MATERIALS SCIENCE↗
DOE OSTI2019

X-ray mirror surface figure correction with nanometre precision controlled by layer stresses simulated by FEA

Hard X-rays with energies higher than several kiloelectronvolts can be focused to spot sizes below 10 nm with the present synchrotron beamlines, offering unique advantages for the chemical, elemental and structure analysis of matter. Nevertheless, a surface precision on the nanometre scale for the focusing optics is required and remains the main hurdle limiting X-ray analytical techniques with single-nanometre spatial resolution. On the other hand, to preserve the wavefront properties of coherent X-ray beams, precise control of the reflective mirror surface quality at the nanometre scale is demanded for X-ray free-electron laser applications. In this work, the surface shape of a multilayer-coated X-ray mirror is controlled by layer stresses. The desired surface profile of the mirror is differentiated to its second order to obtain its corresponding curvature profile. With a step size of 1 mm along the mirror length, different coating thicknesses are applied to create different layer thermal stresses from uniform temperature change. The mirror surface profile can be obtained by integrating the curvature profile to its second order and further corrected by moving constant values for the slope and height. The technical process is simulated by finite element analysis (FEA). A case study showed that the residual slope error and the residual height error between the desired shape and the FEA result are 0.22 µrad (r.m.s.) and 1.42 nm (r.m.s.), respectively.

47 OTHER INSTRUMENTATION↗
DOE OSTI2014

Reduction of scattering using thin all-dielectric shells designed by stochastic optimizer

Adaptive differential evolution method has been used for optimization of all-dielectric multilayer coatings in order to reduce total scattering from spherical targets. The optimal refractive index profiles have been found for various sizes of targets and thicknesses of coatings. Few profile types that appear to be optimal for various geometrical parameters have been identified. Scattering of the target with diameter of 0.75 λ has been reduced by 85% using 0.16 λ thick coating formed by isotropic dielectric materials. For larger targets, scattering reduction becomes smaller, but it still reaches 50% for targets with the diameter of 1.5 λ. The obtained designs provide a route to implement cloaking without the use of magnetic and anisotropic metamaterials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Stress compensation by deposition of a nonuniform corrective coating

Surface deformation by coating stress is compensated by prefiguring the substrate with a radially nonuniform layer of dense silica. Stresses in the compensation layer and reflector are modeled using finite element analysis to determine the optimal thickness profile, with the deposited coating reducing the surface deformation by 90%. As a result, this process is intended to allow implementation of both the compensation layer and the traditional multilayer coating in a single vacuum cycle.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Hydroxyapatite Nanocrystal Deposited Titanium Dioxide Nanotubes Loaded with Antibiotics for Combining Biocompatibility and Antibacterial Properties

Hydroxyapatite (HA)/nanotubular titanium dioxide (TiO 2 ) composite coatings loaded with antibiotics were developed here to combine biocompatibility and antibacterial property. TiO 2 nanotubes were first fabricated on Ti plates using anodization techniques. Then HA nanocrystals were synthesized on the TiO 2 nanotubes by electrochemical deposition, followed by loading of a model drug compound, streptomycin. The streptomycin release profile of the composite coating was investigated. Bacterial tests demonstrate that the streptomycin-loaded composite coatings were highly effective in inhibiting bacterial growth. Simulated body fluid (SBF) experiments indicated that the composite coatings possessed good osseointegration capability.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Formation of blade and slot die coated small molecule multilayers for OLED applications studied theoretically and by XPS depth profiling

Slot die coaters especially designed for low material consumption and doctor blades were used to process small molecule solutions for organic light-emitting diodes (OLEDs). Optimum process parameters were developed for the large-scale coating techniques to generate stable single and multiple layers only a few nanometers thick. Achieving a multilayer architecture for solution-processed OLEDs is the most challenging step. X-ray photoelectron spectroscopy sputter depth profiling was performed to determine defined interfaces between coated organic layers. Commercially available small molecules NPB (N,N’-Di(1-naphthyl)-N,N’-diphenyl-(1,1’-biphenyl)-4,4’-diamine) and BAlq (Bis(8-hdroxy-2methylquinoline)-(4-phenylphenoxy)aluminum), originally developed for vacuum deposition, were used as hole, respectively electron transport material. Defined double-layers were processed with both scalable coating methods using the orthogonal solvent approach. The use of non-orthogonal solvents resulted in complete intermixing of the material. The results are explained by calculations of solubilities and simulating drying and diffusion kinetics of the small molecule solutions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Corrosion Behavior of Ta-10W Coatings on CP-Ti and TC4 Substrates

The corrosion resistance of commercial purity titanium (CP-Ti) and Ti-6Al-4V (TC4) alloys coated with Ta-10W via multi-arc ion plating is investigated. The coating with uniform thickness exhibited silvery, dense, and continuous surface without apparent defects. The interface between the Ta-10W coating and substrate was dense with light elemental diffusion. The coating x-ray diffraction profile was body-centered cubic, α-Ta. The corrosion current density of the coated samples was reduced by one order of magnitude in 3.5% HCl solution, compared to that of the substrates. Electrochemical impedance spectroscopy showed that the Ta-10W coating improved the substrate metal corrosion resistance by slowing down the corrosion tendency and rate, increasing the charge transfer resistance and dielectric property of the double layer. Electrochemical corrosion testing showed that the Ta-10W coating improved the substrates’ corrosion resistances. After immersion in 5% HCl solution for 168 h, the uncoated substrates exhibited severe corrosion, whereas the CP-Ti and TC4 substrates coated by Ta-10W were still intact and dense. Point scanning of the immersed corrosion demonstrated that the Ta-10W coating reduced the relative oxygen content from 5.17 to 0.78% of the TC4. These results indicated that the Ta-10W coating was efficient in protecting the CP-Ti and TC4 from corrosion.

36 MATERIALS SCIENCE↗