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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Metal Powder Recyclability in Binder Jet Additive Manufacturing

The recyclability of 316L stainless steel powder in the binder jetting process has been determined. The powder characterization results demonstrated a 22% increase in the number of coarse particles (> 30 µm) and an 18.2% reduction in the number of small particles (< 10 µm) after recycling up to 16 times. A few elongated and irregular-shaped particles were found after recycling, possibly due to particle agglomeration during handling and sieving. Here, a negligible increase in the oxygen content by 0.036% was detected in the recycled powder. The density of sintered parts produced using recycled powder was approximately 1.5% lower than when using fresh powder due to the changes in the particle size distribution and the flowability of the powder caused by the changes in morphology. Final parts built using fresh and recycled powder showed similar hardness (155 ± 3 HV and 165 ± 9 HV) and yield strength (206 ± 16 MPa and 192 ± 10 MPa), respectively.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Tuning the Morphology and Electronic Properties of Single-Crystal LiNi 0.5 Mn 1.5 O 4-δ : Exploring the Influence of LiCl–KCl Molten Salt Flux Composition and Synthesis Temperature

Single-crystal materials have played a unique role in the development of high-performance cathode materials for Li batteries due to their favorable chemomechanical stability. The molten salt synthesis method has become one of the most prominent techniques used to synthesize single-crystal layered and spinel materials. In this work, the molten salt synthesis method is used as a technique to tune both the morphology and Mn 3+ content of high-voltage LiNi 0.5 Mn 1.5 O 4 (LNMO) cathodes. The resulting materials are thoroughly characterized by a suite of analytical techniques, including synchrotron X-ray core-level spectroscopy, which are sensitive to the material properties on multiple length scales. Furthermore, the multidimensional characterization allows us to build a materials library according to the molten salt phase diagram as well as to establish the relationship among synthesis, material properties, and battery performance. The results of this work show that the Mn 3+ content is primarily dependent on the synthesis temperature and increases as the temperature is increased. Additionally, the particle morphology is mostly dependent on the composition of the molten salt flux, which can be tailored to obtain well-defined octahedrons enclosed by (111) facets, plates with predominant ($11\tilde{2}$) facets, irregularly shaped particles, or mixtures of these. The electrochemical measurements indicate that the Mn 3+ content has a larger contribution to the battery performance of LNMO than do morphological characteristics and that a significant amount of Mn 3+ could become detrimental to the battery performance. However, with similar Mn 3+ contents, morphology still plays a role in influencing the battery cycle life and rate performance. The insights of molten salt synthesis parameters on the formation of LNMO, with deconvolution of the roles of Mn 3+ and morphology, are crucial to continuing studies in the rational design of LNMO cathode materials for high-energy Li batteries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Spheroidization of Nd–Fe–B particles

Spherical powders are required for many advanced manufacturing techniques due to their inherent requirement of flowability, either within feed tubes or during powder spreading. As advanced manufacturing of magnets continues to develop, new production methods for feedstocks are also sought. Plasma spheroidization is a high-yield method to produce spherical Nd–Fe–B powders from irregularly shaped particles, with advantages including high throughput and a well-controlled size distribution. Highly spherical Nd–Fe–B powders with large scale production (i.e., kg) have been demonstrated using an inductively coupled thermal plasma system; however, the magnetic properties of the output powder display significant degradation. The coercivity was decreased from the initial 8 kOe (636 kA/m) of the as-received to 0.7 kOe (55 kA/m) for spheroidized powders. Microstructural investigation reveals 6% Nd depletion caused by the extreme temperatures of the plasma, leading to the formation of low-coercivity α-Fe and a subsequent decrease in energy product. In conclusion, post-spheroidization heat treatments with Nd can partially mitigate the coercivity degradation, increasing to 1.7 kOe (135 kA/m), potentially offering a pathway toward spherical powders for a range of applications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Confocal Raman Microscopy as a Probe of Material Deconstruction in Processed Low-Density Polyethylene Particles

Confocal Raman microscopy was applied to detect structural change within individual particles of low-density polyethylene (LDPE) following chemical and electrochemical processing steps that aimed to facilitate material decomposition. A high numerical aperture (NA) oil-immersion objective enabled depth-profiling through the near surface region (20 μm–40 μm) of irregularly shaped particles with an axial spatial resolution < 2 μm estimated from measurements of instrument detection efficiency profiles. Changes in vibrational bands sensitive to polyethylene crystallinity were evident following treatments and linked to the release of low molecular weight compounds present as additives and products of processing. Effects of processing were probed by monitoring the rise of Raman scattering intensity in vibrational modes associated with polyethylene chains in a zig-zag (trans) conformation near 1128 cm –1 , 1294 cm –1 , and 1418 cm –1 , signaling chain clustering and development of organized, crystalline-like assemblies. Pristine LDPE particles displayed a uniform structure across the near surface region, while particles treated initially with chemical extractant and then further processed displayed increasingly enhanced crystallinity up to the maximum depth probed (40 μm). As a step toward measurements on ensembles of particles, least squares modeling was adapted to derive pure component spectra reflecting crystallinity change within spectral datasets. The work demonstrates high spatial resolution Raman depth-profiling for the characterization of processed polymers using a high NA immersion objective to overcome the limitations of air-objectives often used for confocal Raman microscopy.

Wahiduzzaman, Md. [Department of Chemistry and Bio↗
DOE OSTI2021

Applicability of discrete element method with spherical and clumped particles for constitutive study of granular materials

Discrete element method (DEM) has been intensively used to study the constitutive behaviour of granular materials. However, to what extent a real granular material can be reproduced by virtual DEM simulations remains unclear. This study attempts to answer this question by comparing DEM simulations with typical features of experimental granular materials. Three groups of models with spherical and clumped particles are investigated from four perspectives: (i) deviatoric stress and volumetric behaviour; (ii) critical state behaviour; (iii) stress-dilatancy relationship; and (iv) the evolution of principal stress ratio against axial strain. The results demonstrate that DEM with spherical or clumped particles is capable of qualitatively describing macroscopic deviatoric stress responses, volumetric behaviour, and critical state behaviour observed in experiments for granular materials. On the other hand, some qualitative deviations between experiments and the investigated DEM simulations are also observed, in terms of the stress-dilatancy behaviour and principal stress ratio against axial strain, which are proven to be critical for constitutive modelling. The results demonstrate that DEM with spherical or clumped particles may not necessarily fully capture experimental features of granular materials even from a qualitative perspective. It is thus encouraged to thoroughly validate DEM with experiments when developing constitutive models based on DEM observations.

58 GEOSCIENCES↗
DOE OSTI2021

An adaptive masking method for beam halo measurement by a digital micro mirror device

We report that in high intensity particle beams, irregularities in cathode emission, scattering effects, dark current and space charge forces can lead to a common phenomenon termed beam halo with associated emittance growth, beam loss and overall beam quality degradation. It is of fundamental interest and practical importance to precisely monitor such beam halo, which could offer valuable insights into the experimental strategy for the suppression of this undesired feature. A Digital Micro mirror Device (DMD) is a computer-controlled micro-electrical-mechanical system that contains a compact array of physically independent reflective mirrors. Using a standard DMD, we come up with an adaptive masking method for halo measurement, which demonstrates superior robustness and efficiency comparing to the conventional approaches as confirmed by simulation and experimental results. Our development includes an integrated package of hardware, software and a graphic user interface (GUI) that is robust and portable and can be applied as a beam halo diagnostic for electron guns or radiating charged particle beams in general.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

Laser Additive Manufacturing Process Development for Bismuth Telluride Thermoelectric Material

Thermoelectric generators have strong potential for aerospace and aircraft applications. However, traditional manufacturing methods for thermoelectric devices severely limit device adaptability and consequently marketability. Laser powder bed fusion is an additive manufacturing method which shows promising potential for producing thermoelectric devices. Thermoelectric materials pose unique challenges compared to metals because of low thermal conductivity, brittle fracture characteristics, and irregular powder particle morphologies. Herein, we communicate processing procedures to fabricate thermoelectric parts of Bi 2 Te 3 through laser powder bed fusion. In this study, we identify the successful combination of key process parameters—laser power, scan speed, hatch distance, and powder layer thickness—to achieve high-quality parts in terms of density and physical properties, and we demonstrate the impact of process parameter variation on built part quality. While it cannot exclusively determine part quality, the volumetric energy density is a useful guide in deciding process parameters for thermoelectric materials, and the optimal value is between 9 and 11 J/mm 3 for Bi 2 Te 3 . We demonstrate successful fabrication of different freeform geometries of Bi 2 Te 3 powders. The results suggest it is possible to extend this method more broadly to other semiconductor materials, including thermoelectric power generation materials applicable for space applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Correlating 3D Surface Atomic Structure and Catalytic Activities of Pt Nanocrystals

Active sites and catalytic activity of heterogeneous catalysts is determined by their surface atomic structures. However, probing the surface structure at an atomic resolution is difficult, especially for solution ensembles of catalytic nanocrystals, which consist of heterogeneous particles with irregular shapes and surfaces. In this study, we constructed 3D maps of the coordination number (CN) and generalized CN ($\bar{C}\bar{N}$) for individual surface atoms of sub-3 nm Pt nanocrystals. Our results reveal that the synthesized Pt nanocrystals are enclosed by islands of atoms with nonuniform shapes that lead to complex surface structures, including a high ratio of low-coordination surface atoms, reduced domain size of low-index facets, and various types of exposed high-index facets. 3D maps of $\bar{C}\bar{N}$ are directly correlated to catalytic activities assigned to individual surface atoms with distinct local coordination structures, which explains the origin of high catalytic performance of small Pt nanocrystals in important reactions such as oxygen reduction reactions and CO electro-oxidation.

3D atomic structure↗
DOE OSTI2021

Simulations of biomass pyrolysis using glued-sphere CFD-DEM with 3-D intra-particle models

The shape of biomass particles influences intra-particle heat transfer, particle-particle collisions, interphase momentum, heat transfer, and pyrolysis yield. In this research, the effects of these multi-scale phenomena are captured using a glued-sphere computational fluid dynamic discrete element method (CFD-DEM) with 3-D intra-particle models. The glued-spheres resolved the shapes of particles and intra-particle temperature and species distributions. The implementation was validated using the pyrolysis data of a spherical particle and a cylindrical particle. Then, the influences of biomass shapes and sizes on pyrolysis were investigated. The results revealed the significant influence of surface areas and mass distributions on interphase heat transfer and chemical reactions. The intra-particle heat transfer is neglectable for a Biot number smaller than 0.41. Finally, the pyrolysis of irregularly shaped biomass particles in a fixed bed, fluidized bed, and spouted bed was simulated. Analysis of conversion distributions showed the largest deviations in the fixed bed and the slowest conversion rate in the spouted bed. A good balance between uniform and fast conversion is achieved in the fluidized bed. The multi-scale method proposed in this research provides a tool for the evaluation of large irregular-shaped biomass particle pyrolysis in different types of reactors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Quantifying particle movement in a spout-fluidized bed with irregular feedstock morphology

Here, the spout-bed fluidization behavior of nonspherical, 140 μm SiC feedstock was quantified via particle image velocimetry for varying gas distributor geometries. A bench-scale, room-temperature fluidization setup was assembled to model a 50 mm fluidized bed chemical vapor deposition (FB-CVD) system, and fluidized bed motion was captured using a high-speed camera. Modular tips with varying inlet geometries were 3D printed and tested on the bench-scale rig using identical feedstock and gas flow rates in the range of 3.0–9.0 L/min. Fluidization behavior was quantified by extracting parameters of the bed velocity, frequency, dead time, and other measurements, which were ranked for each inlet geometry configuration tested. The results from this work demonstrate that changing the path of inlet gas flow can significantly change the hydrodynamics within a spout-fluidized bed under identical feedstock, loading, and flow rate conditions, potentially enabling experimental control of particle fluidization behavior for a given condition. Moreover, composite rankings of fluidization behavior for unique distributor geometries hold potential to guide the design of FB-CVD experiments for various engineering and scientific applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Novel Preprocessing Techniques for Enhancing Flowability of Miscanthus

Purpose-grown energy crops possess significant potential as promising feedstocks for biofuel and biochemical production. However, similar to other biomass feedstocks, their utilization has been hindered by handling and feeding challenges such as clogging and segregation, which prevent biorefineries from operating at full capacity. These challenges arise primarily due to particle attributes including irregular shape, high flexibility, and high compressibility, leading to interlocking, high compaction, and significant friction under stress consolidation. To enhance operational reliability, it is crucial to focus on preprocessing techniques to address these issues, alongside accurately characterizing the mechanical and physical properties and flow performance of these feedstocks. This study investigates novel preprocessing techniques, including pelletization and torrefaction, to fundamentally alter these particle attributes and improve flowability. Miscanthus, an herbaceous energy crop, was the primary focus of this study. Samples were processed using a Forest Concepts Crumbler rotary shear system and an oscillating multi-stack screen bed to achieve two nominal (baseline) particle sizes: 6mm and 2mm. The study evaluated the efficiency and energy consumption of size reduction, revealing that while 2mm particles required more energy, they exhibited better flowability and higher yield strength compared to 6mm particles. Shear and compression tests assessed the material's shear strength, internal friction, and elastic modulus, while wedge-shaped hopper tests measured the critical arching distance and mass flow rate. The results provide valuable insights into the mechanical properties and processing efficiency of Miscanthus, contributing to the development of a preprocessing framework that enhances energy efficiency and material flowability in bioenergy production. However, further preprocessing and development are required to optimize this framework fully.

09 - BIOMASS FUELS↗
DOE OSTI2021

Persistent Structure and Frustrated Magnetism in High Entropy Rare-Earth Zirconates

The configurational complexity and distinct local atomic environments of high entropy oxides remain largely unexplored, leaving structure-property relationships and the hypothesis that the family offers rich tunability for applications ambiguous. This work investigates the influence of cation size and materials synthesis in determining the resulting structure and magnetic properties of a family of high entropy rare-earth zirconates (HEREZs, nominal composition RE 2 Zr 2 O 7 with RE = rare-earth element combinations including Eu, Gd, Tb, Dy, Ho, La, or Sc). Here, the structural characterization of the series is examined through synchrotron X-ray diffraction and pair distribution function analysis, and electron microscopy, demonstrating average defect-fluorite structures with considerable local disorder, in all samples. The surface morphology and particle sizes are found to vary significantly with preparation method, with irregular micron-sized particles formed by high temperature sintering routes, spherical nanoparticles resulting from chemical co-precipitation methods, and porous nanoparticle agglomerates resulting from polymer steric entrapment synthesis. In agreement with the disordered cation distribution found across all samples, magnetic measurements indicate that all synthesized HEREZs show frustrated magnetic behavior, as seen in a number of single-component RE 2 Zr 2 O 7 pyrochlore oxides. These findings advance the understanding of the local structure of high entropy oxides and demonstrate strategies for designing nanostructured morphologies in the class.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Biosynthesis of Zinc Oxide Nanoparticles using Fungal Filtrates

Fungi produce and excrete various proteins, enzymes, and polysaccharides, which may be used for the synthesis of nanoparticles. This study investigated the effect an anion species on the synthesis of ceramic nanoparticles using fungal filtrates. In this work, ceramic zinc oxide (ZnO) nanoparticles ranging between 1 nm and 1000 nm were successfully synthesized using three different filamentous fungi: Aspergillus sp., Penicillium sp., and Paecilomyces variotti. Each fungus was cultured, and the filtrate was extracted and individually exposed to zinc nitrate, zinc sulfate, or zinc chloride. The formation of nanoparticles was characterized using UV-visible spectrophotometry (UV-Vis), fluorescence microscopy, and with transmission electron microscopy (TEM) analyses. UV-Vis spectra exhibited broad increases in the absorption across the range of 200 nm - 800 nm, which corresponded to the formation of ZnO nanoparticles under various conditions. Nanoparticle formation was confirmed with fluorescence microscopy and TEM analysis and determined to form particles with an irregular spherical shape. To date, our work demonstrates that the ability of fungi to synthesize ZnO nanoparticles is not genus/species-specific but is dependent on the starting composition of a given metal salt.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Laser pre-sintering for denudation reduction in the laser powder bed fusion additive manufacturing of Ti-6Al-4V alloy

As a fundamentally different process for creation of complex parts, laser powder bed fusion (LPBF) additive manufacturing exhibits complex behavior at the melt pool that has a direct influence on the macroscopic properties of the final material. Powder denudation, a previously studied deleterious phenomenon, is the displacement of powder due to entrainment in a jet of rapidly vaporized metal created by the process laser. To minimize the effect of denudation and inspired by methods in adjacent fields, a laser pre-sintering (LPS) method was studied in an effort to reduce denudation. LPS was found to be most effective in the 1–4 J/mm3 volumetric energy density processing regimes, minimizing the common experimentally observed problems with the LPBF process. Scanning electron microscopy of the LPS-treated powder bed revealed insight into the accelerating effect morphological irregularities along the powder particle surface have in the pre-sintering process. To further understand the process, an estimation of the sintered neck sizes necessary to eliminate denudation in LPS is made, qualitatively affirming the low energy densities needed to prevent denudation. Here, the results presented in this work represent an initial step towards understanding and implementing LPS as a quality-enhancing step in LPBF.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Three-dimensional microstructure of a friction stir welded magnesium/steel interface characterized via high-energy synchrotron X-rays

Here, the three-dimensional (3D) microstructure of a friction stir assisted scribe technique (FaST) weld interface consisting of AZ31 magnesium (Mg) alloy and zinc (Zn)-coated DP590 steel was analyzed via synchrotron micro-computed tomography (μ-CT), correlated to synchrotron x-ray diffraction, and electron microscopy. Diffraction assessment of the AZ31/Zn-coated DP590 steel interface revealed the presence of several complex Mg–Zn intermetallic phases and differences in crystalline orientation of the Mg phase at the weld interface. The 3D characterization of the synchrotron μ-CT images of the weld interface revealed: (1) the presence of AZ31 weld nugget material with iron (Fe)-rich particles; (2) the presence of a weld layer at the joining interface with Fe-rich particles; (3) the formation of a thin non-uniform layer between the weld layer and the interface of the scribed DP590 material; and (4) the presence of an Fe–Al-rich intermetallic layer and Fe-rich particles at the interface of the scribed DP590 material. This study also performed a detailed analysis of lump-like features seen in the Zn coating layer at the weld interface. A detailed 3D particle analysis of the Fe-rich particles in the AZ31 weld nugget and the weld layer at the weld interface revealed the presence of several types of particle morphologies (i.e., spherical and irregular).

36 MATERIALS SCIENCE↗
DOE OSTI2024

Electronic rotons and Wigner crystallites in a two-dimensional dipole liquid

A key concept proposed by Landau to explain superfluid liquid helium is the elementary excitation of quantum particles called rotons1–8. The irregular arrangement of atoms in a liquid leads to the aperiodic dispersion of rotons, which played a pivotal role in understanding fractional quantum Hall liquids (magneto-rotons)9,10 and the supersolidity of Bose–Einstein condensates11–13. Even for a two-dimensional electron or dipole liquid, in the absence of a magnetic field, the repulsive interactions have been predicted to form a roton minimum14–19, which can be used to trace the transition to Wigner crystals20–24 and superconductivity25–27, although this has not yet been observed. Here, we report the observation of such electronic rotons in a two-dimensional dipole liquid of alkali-metal ions donating electrons to surface layers of black phosphorus. Our data reveal the striking aperiodic dispersion of rotons, which is characterized by a local minimum of energy at finite momentum. As the density of dipoles decreases so that interactions dominate over the kinetic energy, the roton gap reduces to 0, as in a crystal, signalling Wigner crystallization. Our model shows the importance of short-range order arising from repulsion between dipoles, which can be viewed as the formation of Wigner crystallites (bubbles or stripes) floating in the sea of a Fermi liquid. Our results reveal that the primary origin of electronic rotons (and the pseudogap) is strong correlations.

Park, Soobin↗
DOE OSTI2025

Probing Photoelectrochemical Hydrogen and Oxygen Evolution at Individual Al:SrTiO 3 /Rh 2–y Cr y O 3 Photocatalyst Particles

Particle-based photocatalysts for overall water splitting convert solar energy into hydrogen fuel without the use of any photovoltaic devices. As such they have the potential to revolutionize renewable energy production on Earth. While proven efficiencies have reached 1.1%, further improvements of photocatalyst technology depend on a better understanding of energy loss mechanisms on the individual particle level. Here, we conduct the first in operando photoelectrochemical measurements on individual micrometer-sized Al-doped SrTiO 3 /Rh 2–y CryO 3 photocatalyst particles. We find that the photocatalyst particles behave mainly as water oxidation photoanodes reaching up to 0.5 mA cm −2 at 0.8 V versus RHE and a photovoltage of ∼1.00 V under 4.7 mW cm −2 ultraviolet illumination. This proves that charge separation in the unbiased Al:SrTiO 3 /Rh 2–y Cr y O 3 catalyst is driven by a junction at the n-semiconductor-liquid contact. While O 2 is detected symmetrically around photocatalyst particles, uneven H 2 evolution profiles reflect an irregular Rh 2–y Cr y O 3 cocatalyst distribution. Additionally, the H 2 evolution activity varies significantly between different photocatalyst particles. Furthermore, this suggests that performance gains are possible by better controlling catalyst composition on the microscale.

77 NANOSCIENCE AND NANOTECHNOLOGY↗