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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Incommensurate magnetic orders and topological Hall effect in the square-net centrosymmetric EuGa 2 Al 2 system

Neutron diffraction on the centrosymmetric square-net magnet EuGa 2 Al 2 reveals multiple incommensurate magnetic states (AFM1, 2, 3) in zero field. In applied field, a new magnetic phase (A) is identified from magnetization and transport measurements, bounded by two of the μ 0 H=0 incommensurate magnetic phases (AFM1, helical, and AFM3, cycloidal) with different moment orientations. Moreover, magnetotransport measurements indicate the presence of a topological Hall effect, with maximum values centered in the A phase. Together, these results render EuGa 2 Al 2 a material with noncoplanar or topological spin texture in applied field. X-ray diffraction reveals an out-of-plane (OOP) charge density wave (CDW) below T CDW ~50 K while the magnetic propagation vector lies in plane below T N =19.5 K. Together these data point to a new route to realizing in-plane noncollinear spin textures through an OOP CDW. In turn, these noncollinear spin textures may be unstable against the formation of topological spin textures in an applied field.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Epitaxial growth of hexagonal BaNi O 3–δ thin films on SrTi O 3 (111) substrates

Transition metal oxides containing nickel species in oxidation states higher than 3+ often exhibit high catalytic activity, which makes them promising for applications as advanced electrocatalysts for water splitting and fuel cells. Here, we examine the structure and properties of BaNiO 3 (BNO) thin films, containing formally Ni 4+ , grown on SrTiO 3 (111) substrates using oxygen-plasma–assisted molecular beam epitaxy. X-ray diffraction and scanning transmission electron microscopy measurements reveal that BNO films have a hexagonal structure with $c$- and $a$-axes of mixed textures showing epitaxial relationships BNO (0001) ∥ SrTiO 3 (111) and BNO (10$\overline{1}$0) ∥ SrTi O 3 (111), respectively. The formation of the $a$-axis texture is dominant due to the smaller lattice mismatch with the substrate. Here, density functional theory calculations confirm that the hexagonal BNO film with the $a$-axis texture is energetically more favorable than the competing $c$-axis texture. Detailed spectroscopy data analysis indicates that hexagonal BNO films contain mixtures of Ni 2+ , Ni 3+ , and Ni 4+ species, with Ni 4+ being dominant. Our study provides insights into stabilizing Ni 4+ in complex oxides, which is important for further exploration of the potential of materials containing Ni 4+ .

36 MATERIALS SCIENCE↗
DOE OSTI2026

braggedgemodeling

braggedgemodeling (bem) is an open-source Python package for modeling neutron Bragg-edge imaging. It computes the wavelength-dependent total neutron cross-section of a material (coherent and incoherent elastic, coherent and incoherent inelastic scattering, and absorption) from its crystal structure, and implements the March-Dollase texture model and the Jorgensen peak profile, supporting quantitative analysis of energy-resolved neutron imaging data (phase, stress/strain, and texture). Published in the Journal of Open Source Software (2018).

Lin, Jiao [Oak Ridge National Laboratory (ORNL), O↗
DOE OSTI2018

U-10ZR XRD Follow-on Report: Effects of Background; Extrusion, Heat Treatment

This report is a follow-on report to the previous report, INL/EXT-17-43392 “Modified Peak Ratio Method for Quantitative Texture Analysis of U10Zr Alloys” (Leah Squires, Kevin Tolman, Fidelma DiLemma, Thomas Hartman, and Douglas Porter, [June 2017]) The objective of this work is to investigate the effects of epoxy metallurgical (met) mounts on x-ray diffraction (XRD) and determine a method to account for background separate from the epoxy met mount contribution. Also, both the texturing effects of hot extrusion and cooling in ambient air (i.e., air quenching) on depleted uranium (DU)10Zr rods and the effects of heat treatments on these as-extruded DU10Zr rods are reported to determine the characteristics of texturing of the as-extruded materials and the degree of texture lost through heat treatment.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Differential Organic Carbon Mineralization Responses to Soil Moisture in Three Different Soil Orders Under Mixed Forested System: Supporting Data

This data contains data from 90-day long incubation study which aimed to look at the soil moisture-texture relationship on soil organic carbon (SOC) cycling. Soils were collected from three distinct soil textures from mixed forests in 2017: sandy (Georgia, 2017-05-01), loamy (Missouri, 2017-06-14) and clayey (Texas, December 2017) were incubated at different soil moisture levels (air-dried, 25% water holding capacity (WHC), 50% WHC, 100% WHC and 175% WHC) at room temperature for a period of 90 days. Files contain microbial respiration, active and slow SOC pools, and their respective mineralization rates, extractable organic carbon (C), and C-acquiring extracellular enzymes. Findings from these data were used in Singh et al. (2021). This study aimed to examine the interactive effect of soil moisture and texture on SOC mineralization. Soil samples of three distinct textures (sandy, loamy, and clayey) were collected from mixed forests of Georgia, Missouri, and Texas, respectively. Soil cores of 5 cm diameter were collected from numerous random locations at each site from 0-15 cm depth after scraping the litter layer and mixed thoroughly to obtain a composite sample per site. Three additional soil cores were collected to determine the WHC using pressure plate extractors. Soil samples were composited, and triplicate soil samples were incubated in mason jars for a period of 90 days at room temperature under different moisture regimes: air dried, 25% WHC, 50% WHC, at WHC and 100% saturation. Soil respiration was measured weekly, and destructive sampling was conducted at 1, 15, 60, and 90 days to determine extractable organic C, C acquiring enzyme activity, and active and slow SOC pools with their respective mineralization rates. The C acquiring enzyme activity was the total activity of α-glucosidase, β-glucosidase, cellobiohydrolase, and β-xylosidase enzymes. Gas samples for microbial respiration measurements were collected from headspace of incubation jars through the sampling ports on the lids and then analyzed using a Shimadzu Gas Chromatograph (GC-2014). Prior to sampling, the vials were evacuated. Blank correction was also done by collecting gas samples from empty incubation jars. Double pool exponential decay model was used in SigmaPlot to determine the active and slow SOC pools and their mineralization rates (Farrar et al., 2012; Jagadamma et al., 2014). The C-acquiring extracellular enzymes were measured using the microplate method by German et al., (2011). Microbial community structure was determined using the phospholipid fatty acid (PLFA) and neutral lipid fatty acid (NLFA) analyses (Buyer and Sasser, 2012). This dataset has seven data files provided in comma-separate (*.csv) format. Additional metadata are provided: seven data dictionaries and a file-level metadata file in comma separate (*.csv) format and a user guide in PDF (*.pdf) format.

Carbon acquiring enzyme activity↗
DOE OSTI2023

One-Pot Synthesis of Melamine Formaldehyde Resin-Derived N-Doped Porous Carbon for CO 2 Capture Application

The design and synthesis of porous carbons for CO 2 adsorption have attracted tremendous interest owing to the ever-soaring concerns regarding climate change and global warming. Herein, for the first time, nitrogen-rich porous carbon was prepared with chemical activation (KOH) of commercial melamine formaldehyde resin (MF) in a single step. It has been shown that the porosity parameters of the as-prepared carbons were successfully tuned by controlling the activating temperature and adjusting the amount of KOH. Thus, as-prepared N-rich porous carbon shows a large surface area of 1658 m 2 /g and a high N content of 16.07 wt%. Benefiting from the unique physical and textural features, the optimal sample depicted a CO 2 uptake of up to 4.95 and 3.30 mmol/g at 0 and 25 °C under 1 bar of pressure. More importantly, as-prepared adsorbents show great CO 2 selectivity over N 2 and outstanding recyclability, which was prominently important for CO 2 capture from the flue gases in practical application. An in-depth analysis illustrated that the synergetic effect of textural properties and surface nitrogen decoration mainly determined the CO 2 capture performance. However, the textural properties of carbons play a more important role than surface functionalities in deciding CO 2 uptake. In view of cost-effective synthesis, outstanding textural activity, and the high adsorption capacity together with good selectivity, this advanced approach becomes valid and convenient in fabricating a unique highly efficient N-rich carbon adsorbent for CO 2 uptake and separation from flue gases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Modeling soil CO<sub>2</sub> production and transport with dynamic source and diffusion terms: testing the steady-state assumption using DETECT v1.0

Abstract. The flux of CO2 from the soil to the atmosphere (soil respiration, Rsoil) is a major component of the global carbon (C) cycle. Methods to measure and model Rsoil, or partition it into different components, often rely on the assumption that soil CO2 concentrations and fluxes are in steady state, implying that Rsoil is equal to the rate at which CO2 is produced by soil microbial and root respiration. Recent research, however, questions the validity of this assumption. Thus, the aim of this work was two-fold: (1) to describe a non-steady state (NSS) soil CO2 transport and production model, DETECT, and (2) to use this model to evaluate the environmental conditions under which Rsoil and CO2 production are likely in NSS. The backbone of DETECT is a non-homogeneous, partial differential equation (PDE) that describes production and transport of soil CO2, which we solve numerically at fine spatial and temporal resolution (e.g., 0.01 m increments down to 1 m, every 6 h). Production of soil CO2 is simulated for every depth and time increment as the sum of root respiration and microbial decomposition of soil organic matter. Both of these factors can be driven by current and antecedent soil water content and temperature, which can also vary by time and depth. We also analytically solved the ordinary differential equation (ODE) corresponding to the steady-state (SS) solution to the PDE model. We applied the DETECT NSS and SS models to the six-month growing season period representative of a native grassland in Wyoming. Simulation experiments were conducted with both model versions to evaluate factors that could affect departure from SS, such as (1) varying soil texture; (2) shifting the timing or frequency of precipitation; and (3) with and without the environmental antecedent drivers. For a coarse-textured soil, Rsoil from the SS model closely matched that of the NSS model. However, in a fine-textured (clay) soil, growing season Rsoil was ∼ 3 % higher under the assumption of NSS (versus SS). These differences were exaggerated in clay soil at daily time scales whereby Rsoil under the SS assumption deviated from NSS by up to 35 % on average in the 10 days following a major precipitation event. Incorporation of antecedent drivers increased the magnitude of Rsoil by 15 to 37 % for coarse- and fine-textured soils, respectively. However, the responses of Rsoil to the timing of precipitation and antecedent drivers did not differ between SS and NSS assumptions. In summary, the assumption of SS conditions can be violated depending on soil type and soil moisture status, as affected by precipitation inputs. The DETECT model provides a framework for accommodating NSS conditions to better predict Rsoil and associated soil carbon cycling processes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Friction reduction for engine components

The present invention relates to techniques for lowering friction between moving surfaces of, for example, an internal combustion engine. Friction reduction is achieved by adding texture modifications to surfaces that come in contact with each other. Texture modifications that reduce friction in accordance with the present invention include dimples of varying geometries and depths ion the surfaces of components. The present invention also relates to the fabrication technique for applying the textures to the surfaces. In another embodiment, the patterned soft mask is applied onto a large surface (flat or curved including cylindrical rollers surfaces) to be followed by electrochemical etching to imprint the textures onto the component. And, in another embodiment, a diamond-like-carbon (DLC) film may be applied to the turbine component to also reduce friction.

Hsu, Stephen M.↗
DOE OSTI2019

Heterogeneous material integration through guided lateral growth

Methods are provided for generating a crystalline material. The methods comprise depositing a textured thin film in a growth seed area, wherein the textured thin film has a preferential crystallographic axis; providing a growth channel extending from the growth seed area, the growth channel permitting guided lateral growth; and growing a crystalline material in the growth channel along a direction that is substantially perpendicular to the preferential crystallographic axis of the textured thin film. A preferred crystalline material is gallium nitride, and preferred textured thin films are aluminum nitride and titanium nitride.

Han, Jung↗
DOE OSTI2021

Friction reduction for engine components

The present invention relates to techniques for lowering friction between moving surfaces of, for example, an internal combustion engine. Friction reduction is achieved by adding texture modifications to surfaces that come in contact with each other. Texture modifications that reduce friction in accordance with the present invention include dimples of varying geometries and depths ion the surfaces of components. The present invention also relates to the fabrication technique for applying the texture to the surfaces. In another embodiment, the patterned soft mask is applied onto a large surface (flat or curved including cylindrical rollers surfaces) to be followed by electrochemical etching to imprint the textures onto the component And, in another embodiment, a diamond-like-carbon (DLC) film may be applied to the turbine component to also reduce friction.

Hsu, Stephen M.↗
DOE OSTI2024

Adaptive materials and systems for manipulation of electromagnetic radiation

Fully artificial, adaptive composite materials and systems, having variable transmittance, reflectance, and/or absorptance to radiation in visible, infrared, or other desired region of the electromagnetic spectrum, and methods of the manufacture and use thereof are provided. The adaptive composite materials and systems possess an unprecedented combination of properties and are, therefore, poised to enable a broad range of practical applications. The adaptive composite material incorporates at least one size-variable active area having a variable transmittance, reflectance, and/or absorptance in at least a portion of the electromagnetic spectrum and comprises at least: an elastomer substrate, a texturizing layer disposed on top of the substrate, and an optional reflective coating disposed on top of the texturizing layer. In operation, the stretching and relaxation of the elastomer substrate causes changes in the surface morphology of the texturized layers (e.g., the change in the size and depth of surface features in the texturizing layer), this in turn results in the increased or decreased transmittivity, reflectivity, and/or absorptivity of the active area.

Gorodetsky, Alon A.↗
DOE OSTI2023

Understanding process-microstructure-property relationships in laser powder bed fusion of non-spherical Ti-6Al-4V powder

Powder feedstock is a major cost driver in metal additive manufacturing (AM). Replacing the spherical powder with the cost-efficient non-spherical one can reduce the feedstock cost up to 50% and attract more interest to adopt AM in production and new alloy development. Here, for this paper, a comprehensive study was conducted to understand process-microstructure-property relationships in laser powder bed fusion of hydride-dehydride Ti-6Al-4V powder. We demonstrated that variation of laser scan speed had a significant impact on the grain structure, pore evolution and properties compared to laser power. Dynamic X-ray radiography showed that with decreasing scan speed at a constant laser power, a transition from conduction to keyhole mode laser processing occurred, in which a deeper melt pool at lower scan speed intensified texture. In other words, an increase in laser scan speed resulted in formation of the refined prior β grains with shape factor of ~5, lowering the anisotropy. Furthermore, the degree of variant selection was evaluated based on the analyzed texture as a function of laser power and scan speed. With increasing laser scan speed, the dominant α/α boundary type was altered from type 2 to 4 and the degree of variant selection was noticeably decreased. On the other hand, increasing laser power left the morphology of prior β grains, their size, and the dominant α/α boundary (type 4) unchanged, while the texture and anisotropy were intensified, and the degree of variant selection was slightly decreased. Finally, dependency of surface roughness and microhardness were discussed as a function of laser processing parameters.

variant selection↗
DOE OSTI2019

On the Origin of the Large Remanent Polarization in La:HfO 2

We report that the outstanding remanent polarization of 40 µC cm –2 reported for a 10 nm thin La:HfO 2 film in 2013 has attracted much attention. However, up to now, no explanation for this large remanent polarization has been presented. Density functional theory and X-ray diffraction are used to shine light onto three major aspects that impact the macroscopically observed remanent polarization: phase fraction, spontaneous polarization, and crystallographic texture. Density functional theory calculations show that the spontaneous polarization (P s ) of La:HfO 2 is indeed a bit larger than for other HfO 2 -or ZrO 2 -based compounds; however, the P s is not large enough to explain the observed differences in remanent polarization. While neither phase fractions nor spontaneous polarization nor strain are significantly different from those in other HfO 2 films, a prominent 020/002 texture distinguishes La doped from other HfO 2 -based ferroelectric films. Angular-dependent diffraction data provide a pathway to calculate the theoretically expected remanent polarization, which is in agreement with the experimental observations. Finally, an interplay of the in-plane strain and texture is proposed to impact the formation of the ferroelectric phase during annealing. Lastly, further aspects of the special role of La as a dopant are collected and discussed to motivate future research.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Prediction of Carbon Dioxide Adsorption via Deep Learning

Porous carbons with different textural properties exhibit great differences in CO 2 adsorption capacity. It is generally known that narrow micropores contribute to higher CO 2 adsorption capacity. However, it is still unclear what role each variable in the textural properties plays in CO 2 adsorption. Herein, a deep neural network is trained as a generative model to direct the relationship between CO 2 adsorption of porous carbons and corresponding textural properties. The trained neural network is further employed as an implicit model to estimate its ability to predict the CO 2 adsorption capacity of unknown porous carbons. Interestingly, the practical CO 2 adsorption amounts are in good agreement with predicted values using surface area, micropore and mesopore volumes as the input values simultaneously. This unprecedented deep learning neural network (DNN) approach, a type of machine learning algorithm, exhibits great potential to predict gas adsorption and guide the development of next-generation carbons.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Microstructure and Electromagnetic Shielding Properties of Mg-Zn-Ce-Y-Zr Alloys

Microstructure and electromagnetic interference shielding properties of extruded Mg-Zn-Ce-Y-Zr alloys were systematically investigated. A bimodal grain structure of fine recrystallized grains and deformed grains was observed in the alloys. Yttrium (Y) and cerium (Ce) refined the recrystallized grains. Mg-Zn-Ce phase, Mg{sub 3}Zn{sub 3}Y{sub 2} phase and a few precipitates containing Zn and Zr were observed. Y and Ce additions changed the texture of the alloys. When the total rare earth content reached 4 wt.%, the texture was remarkably weaker than other studied alloys. The shielding capacity increased first and then decreased with Y contents. The value of shielding effectiveness for the extruded Mg-5Zn-1Ce-2Y-0.6Zr alloys reached 79-118 dB in the frequency range of 30 MHz-1.5 GHz, which was significantly higher than that of some aluminum alloys. The addition of Y and Ce is effective in improving the shielding capacity in Mg alloys. The electrical conductivity and second phases in the alloys were important in enhancing shielding effectiveness. The texture and precipitation exerted significant effect on electrical conductivity. In addition, subsequently aging treatment evidently improved shielding effectiveness.

36 MATERIALS SCIENCE↗
DOE OSTI2019

EBSD Study on Processing Domain Parameters of Oxide Dispersion Strengthened 18Cr Ferritic Steel

This paper presents the results of an experimental study aimed to identify hot working domains in oxide dispersion strengthened (ODS) 18Cr ferritic steel over a wide range of temperatures (1323-1473 K) and strain rates (0.01-10 s{sup −1}). The experimental data were obtained by uniaxial compression test using the Gleeble-1500D simulator in this range of temperature and strain rate. An inverse relationship with temperature and positive strain rate sensitivity associated with dynamic recovery and recrystallization, which is influenced by temperature and strain rate, was derived from the flow stress. Based on the processing map generated at 0.5 true strain, using rate dynamic material model (DMM) approach and the calculated instability parameter (ξ(ϵ́))>0, the optimum processing domain has been determined for this steel. The most favorable processing parameters are found in the temperature ranges of 1350-1450 K with a strain rate of 0.01 s{sup −1} and 1473 K with a strain rate 0.1 s{sup −1} with peak efficiency of 30 and 35%, respectively. The material flow behavior was studied using scanning electron microscopy (SEM)-based EBSD microstructural characterization. The steel subjected to 1323 K at high strain rate 10 s{sup −1} in the low-efficiency workability region showed low aspect ratio as compared to the elongated bamboo-like initial microstructure; however, minimum strain rate (0.01 s{sup −1}) showing that localized slip/shearing is the key mechanism and fiber texture studied from the intensity distribution of inverse pole figure showed the presence of significant amount of θ-fibers. In contrast, dynamic recrystallization dominated at higher efficiency region in the safe domain of processing map and γ-fiber texture was evident in the specimen deformed at 1373 and 1473 K with strain rate of 0.01 and 0.1 s{sup −1}, respectively, which is responsible for the change in the initial 〈1 1 0〉//ED α-fiber texture.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Corrosion and Electrochemical Behavior of Sn-2Ag-0.5Cu Lead-Free Solders Solidified with Magnet Stirring

In this study, permanent magnet stirring (PMS) was applied to modify the crystallographic texture and corrosion resistance of Sn-2Ag-0.5Cu (SAC205) solders. The results indicate that PMS transforms the lamellar structure into equiaxed grains. Following the initiation corrosion process, the crystallographic texture shows a new class of grains that consists of single-crystal morphology with {111}{sub Sn} facets before applying PMS. This could result in severe corrosion of β-Sn crystals with non-uniform corrosion rate caused by the orientation effect of (111). The corrosion rate for SAC205 solder, measured by immersion tests in 3.5% NaCl solution at 25 °C, was significantly decreased from 31 to 8 mpy after applying PMS. This change in corrosion resistance of SAC205 solder can be attributed to the improved anodic and cathodic reaction activities caused by the modification of microstructure and crystallographic texture. The mechanism of pitting and sequential corrosion events is fully explained and discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Ambient and High-Temperature Bulk Characterization of Additively Manufactured Ti-6Al-4V Using Neutron Diffraction

Characterization of the bulk microstructure using neutron diffraction has been applied to investigate the phase fractions and textures of α- and β-phases in Ti-6Al-4V fabricated by additive manufacturing. The microstructure of a specimen cut from a fan structure, built by either electron beam melting (EBM) or selective laser melting, indicated that predominantly the build direction and not the fan angle determines the microstructure. In situ heating experiments of specimens from a rod built using EBM provided insight into the lattice strain, phase fraction, and texture evolution, providing a rich picture of the microstructure changes during heat treatment of additively manufactured Ti-6Al-4V. Finally, a remarkably low weight fraction of β-phase at lower temperatures, deviations from thermal expansion behavior attributed to vanadium repartitioning, as well as texture strengthening were observed.

36 MATERIALS SCIENCE↗