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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Electrical and structural characterization of nano-carbon–aluminum composites fabricated by electro-charging-assisted process

Incorporating nano-carbon phases into metal-matrix composites is a promising strategy for simultaneously enhancing electrical conductivity and mechanical properties of metals. Here, we describe the manufacture of novel nano-carbonaluminum composites by an electro-charge-assisted process (EAP) that show 5.6% ± 1.7% increase in electrical conductivity compared to the base metal alloy. The source of nano-carbon that we used in this study is activated carbon with particle size less than 100 nm. The enhancement is attributed to nano-graphitic structures that extend through the lattice of the metal. Through electron transfer from the metal to the nanostructures the electron density at the interface of nano-crystalline graphite and the metal lattice increases thereby enhancing the bulk electrical conductivity. We identify the important fabrication parameters of the EAP for a reaction system employing a tapered graphite cathode. Here, a high current density of 100 A/cm 2 causes ionization and crystallization of the carbon in the liquid metal. The increase in electrical conductivity of the composite are directly related to the incorporation of the nanocrystalline carbon in the metal lattice. The superior performance of these nano-carbon aluminum composites makes them promising candidates for power transmission lines and other applications.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

A novel method for quantifying irradiation damage in nuclear graphite using Raman spectroscopy

Raman spectroscopy has long been used in studying irradiation damage in carbon/graphite materials. It is however unclear if the measurements from different types of materials are directly comparable. Further, decoupling the contribution from irradiation temperature and fluence to the total damage in nuclear graphite possessing irradiation damage gradient is currently not readily feasible as it requires a complete set of test reactor irradiation experiments over the relevant temperature and fluence range. A novel methodology has therefore been proposed and developed to quantify total irradiation damage evolution at crystal level based on graphite Raman G-band position shift. Specifically, G-band positions derived from a large number of spectra collected from the fractured surface of microfine-grained POCO ZXF-5Q graphite possessing proton irradiation damage gradient were plotted with open literature Raman data on HOPG, BEPO (AXGP graphite), PCEA and IG-110 graphite as a function of dpa. The total damage level within 2σ beam radius in this POCO graphite was estimated to be equivalent to ~2–5 dpa at ~350–370 °C. Derived G-band positions were then mapped to the three-stage amorphization trajectory model indicating beam centre area has entered the second stage, i.e., transitioning from nanocrystalline graphite into amorphous carbon. G-band position relative shift (ΔG) curve with a ‘turn-around’ peak as a function of total damage can be used for in-service lifetime prediction. Importantly, the developed methodology has the potential to ‘unify’ total damage levels across different grades of nuclear graphite caused by ion, neutron and proton irradiation at different temperatures.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Coordination environment of Si in calcium silicate hydrates, silicate minerals, and blast furnace slags: A XANES database

Understanding the silicate polymerization of calcium silicate hydrate (C-S-H) gel and its crystalline polymorphs is important in cement science. NMR can determine Si environments, but the measurement can be time-consuming and provides no spatial information. X-ray absorption near-edge structure (XANES) spectroscopy is a fast tool for probing Si coordination, possibly with spatial information. However, there lacks an understanding of Si K-edge XANES spectra of cement-related silicate phases. Here, a Si K-edge XANES spectral database of nanocrystalline C-S-H, C-S-H minerals, blast-furnace slags, and metakaolin is provided. Si K-edge of C-S-H minerals shifts to higher energies with higher polymerized Si and lower CaSi connectivity in the Si second nearest neighbor shell. Si K-edge energy shows weak correlations with Ca/Si ratio, average SiO bond length, and SiO{sub 4} distortion due to the structural complexity of silicates. The substitution of Al for Si shifts the Si K-edge of tobermorite and slags to higher energies.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Photooxidative decomposition and defluorination of perfluorooctanoic acid (PFOA) using an innovative technology of UV–vis/Zn x Cu 1-x Fe 2 O 4 /oxalic acid

Per- and polyfluoroalkyl substances (PFAS) are a large group of perfluorinated organic molecules that have been in use since the 1940s for industrial, commercial, and consumer applications. PFAS are a growing concern because some of them have shown persistent, bioaccumulative and toxic effects. In this work, we demonstrate an innovative technology of UV–vis/Zn x Cu 1-x Fe 2 O 4 /oxalic acid for the degradation of perfluorooctanoic acid (PFOA) in water. The magnetically retrievable nanocrystalline heterogeneous ferrite catalysts, Zn x Cu 1-x Fe 2 O 4 were synthesized using a sol-gel auto-combustion process followed by calcination at 400 °C. The combination of Zn x Cu 1-x Fe 2 O 4 and oxalic acid generate reactive species under UV light irradiation. These reactive species are then shown to be capable of the photodegradation of PFOA. The degree of degradation is tracked by identifying transformation products using liquid chromatography coupled with quadrupole time-of-flight mass spectroscopy (LC-QTOF-MS).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Understanding the plasticity contributions during laser-shock loading and spall failure of Cu microstructures at the atomic scales

A hybrid atomic-scale and continuum modeling framework is used to study the microstructural evolution during the laser-induced shock deformation and failure (spallation) of copper microstructures. A continuum two-temperature model (TTM) is used to account for the interaction of Cu atoms with a laser in molecular dynamics (MD) simulations. The MD-TTM simulations study the effect of laser loading conditions (laser fluence) on the microstructure (defects) evolution during various stages of shock wave propagation, reflection, and interaction in single-crystal (sc) Cu systems. In addition, the role of the microstructure is investigated by comparing the defect evolution and spall response of sc-Cu and nanocrystalline (nc) Cu systems. The defect (stacking faults and twin faults) evolution behavior in the metal at various times is further characterized using virtual in situ selected area electron diffraction and x-ray diffraction during various stages of evolution of microstructure. Here, the simulations elucidate the uncertain relation between spall strength and strain-rate and the much stronger relation between the spall strength and the temperatures generated due to laser shock loading for the small Cu sample dimensions considered here.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Virtual texture analysis to understand microstructure effects on deformation twinning and detwinning behavior in BCC metals

Understanding and predicting deformation twinning contributions to plastic deformation in BCC metals has been a long-standing challenge due to the interplay with dislocation slip and non-Schmid effects that render an asymmetry under tension and compression. This paper uses molecular dynamics simulations to understand the effect of unloading and grain orientation on deformation twinning in a nanocrystalline Fe (nc-Fe) system as a model BCC metal. The nc-Fe system is loaded under uniaxial stress tension and compression to understand the effect of grain orientation (Schmid effects) on deformation twinning behavior and the tension/compression asymmetry (non-Schmid effects). A new virtual texture analysis “VirTex” tool is used to understand the role of grain orientation on the nucleation of twins and their contributions to the observed stress–strain response. For certain grain orientations, the twinnability is observed to be different in tension and compression. In addition, the flow stress accommodation from twins in certain grains is observed to be different in tension and compression and different from that for the grains. Subsequent unloading leads to detwinning in the deformed microstructures, where the extent of detwinning depends on the strain from which the system is unloaded and on the morphology of the twin. Lastly, the simulations are carried out to analyze the role of the Schmid factor on the twinnability and asymmetry in tension and compression.

Kannan, Aadhithyan [University of Connecticut, Sto↗
DOE OSTI2020

Influence of manganese abundances on iron and arsenic solubility in rice paddy soils

Arsenic (As) mobilization in rice paddy soils under fluctuating redox conditions is influenced by the biogeochemical cycling of redox sensitive elements such as iron (Fe) and manganese (Mn). Arsenic mobility in paddy soils is highly variable, and the influence of Mn abundances and Mn/Fe ratios on As mobility in these soils have received little attention. In this contribution, we developed a complementary set of field and laboratory experiments designed to evaluate the impact of Mn on interconnected Fe and As solubilization in rice paddy soils experiencing wetting-drying cycles through controlled irrigation. Porewater monitoring and synchrotron-based imaging and spectroscopy of thin sections prepared from an Arkansas paddy soil confirmed that As release was primarily governed by reductive dissolution of Fe (oxy)hydroxide phases. Experiments with laboratory soil microcosms amended with the synthetic nanocrystalline Mn oxide, δ-MnO 2 , showed that higher initial Mn/Fe inhibited Fe and As mobilization into porewater relative to unamended soil by up to 95% and 45%, respectively. Geochemical modeling suggests that pH increases driven by microbial MnO 2 reduction, in conjunction with microbial Fe- and sulfate-reduction in carbonate-rich porewater, enhanced the precipitation of siderite (FeCO 3(s) ), mackinawite (FeS (s) ), and potentially a Mn(II) arsenate phase. These secondary mineral phases likely played a greater role in controlling As solubilization than the role of Mn as a redox buffer regulating the redox conditions in the flooded soils. Field and laboratory experiments showed that alternate wetting and drying approaches with a single dry-down can be effective at reducing dissolved As concentrations in porewater through the oxidation of Fe. Differences in soil Mn/Fe ratios had no clear impact on the effectiveness of dry-downs as a strategy to reduce As mobilization.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

3D interface size effects on slip transfer in Ti/Nb nanolaminates

Two-phase nanolaminates are well-renowned for achieving extraordinarily high strengths but at the sacrifice of reduced toughness and strain to failure. Recently ”thick” interfaces, or so called 3D interfaces, in Cu/Nb nanolaminates were experimentally shown to improve both of these mechanical properties. Here, in this work, we study the effect of 3D interfaces in the hexagonal close packed (HCP)/body centered cubic (BCC) Ti/Nb nanolaminate system. Nanoindentation hardness testing suggests increased strength with the introduction of a 3D Ti–Nb interface and a positive size effect with increases in 3D interface thickness from 5 nm to 20 nm. To understand this effect from a single dislocation perspective, we present a phase-field dislocation dynamics (PFDD) model for multi-phase HCP/BCC systems. We employ the model to simulate stress-driven transfer of single dislocations across 3D Ti/Nb interfaces of various thicknesses. Our results show that the critical stress for slip transfer increases with the thickness of the interface. This positive size effect is stronger for transfer from basal or prismatic dislocations in the Ti layer to 110$\langle$111$\rangle$ dislocations in the Nb layer than the reverse. For this Ti/Nb system, a critical thickness of 2 nm is identified at which the asymmetry in slip transfer is minimized. This work showcases 3D interfaces as a beneficial microstructure modification to strengthen as well as reduce anisotropy in nanocrystalline materials containing HCP phases.

Dislocations↗
DOE OSTI2020

Spark plasma sintering (SPS) densified U 3 Si 2 pellets: Microstructure control and enhanced mechanical and oxidation properties

Dense U 3 Si 2 pellets with controlled grain structure and enhanced thermal-mechanical and oxidation properties are synthesized with spark plasma sintering (SPS). Microstructure and phase composition of the SPS densified pellets are characterized systematically using SEM, EDS, and XRD. Thermal-mechanical properties and oxidation behavior of the sintered silicide fuel pellets are analyzed by laser flash, indentation, and dynamic thermogravimetric analysis. Dense U 3 Si 2 pellets are consolidated by combining high energy ball milling and rapid sintering by SPS, and the microstructure structures are controlled from micron-sized (~5.7 μm grain size) for conventional silicide to a nanocrystalline matrix with an average grain size of ~280 nm. A dominant phase of distorted U 3 Si 2 was identified with lattice expansion due to residual thermal stress upon SPS consolidation and rapid cooling processes. Both micron-sized and nano-sized pellets show exceptional thermal transport properties, consistent with monolithic silicides reported in literature. The SPS-densified pellets possess simultaneously high hardness and fracture toughness. The SPS-densified silicide pellets also demonstrate exceptional oxidation performance with extended onset oxidation temperature above 500 °C and reduced oxidation kinetics, particularly for nano-sized pellets. A strong strain effect was proposed in which compressive stress in nano-sized pellets enhances the oxidation resistance of silicide fuels, as evidenced by the degradation of oxidation performance upon strain relaxation by isothermal annealing. The correlation among the sintering process – microstructure control – physical properties and fuel behavior is established. A new concept of strain engineering is proposed further properties optimization, enabling the development of potential oxidation and corrosion-resistant silicides with extended performance, the key technological challenge of U 3 Si 2 as the leading concept of accident tolerant fuels.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Effect of differently oriented interlayer phases on the radiation damage of Inconel-$\mathrm{Ni}$ multimetallic layered composite

Multimetallic layered composites (MMLCs) have shown an excellent potential for application under extreme environments, e.g., accident-tolerant fuel cladding, because of their low oxidation tendency and high corrosion resistance. Interfacial phases or complexions in nanocrystalline materials accelerate the annihilation of defects and enhance the radiation resistance of materials, making MMLCs with engineered interlayer phases compelling to deploy in extreme conditions. However, implementation of MMLCs in full capacity remained a challenge due to a lack of fundamental understanding of the underlying mechanisms governing the characteristics of the interface between the metallic layers. The precise role of interlayer phases in MMLCs and their interaction with defects, specifically under extreme conditions, is still unexplored. Pursuing atomistic simulations for various Inconel-Ni MMLCs model materials, we revealed accelerated defect mobility in interlayers with larger crystalline misorientation and the inverse relationship between the interface sink strength to the misorientation angle. Furthermore, we found a linear relation between interlayer misorientation angle with the density of radiation-induced defects and radiation enhanced displacements. So, our results indicate that radiation-induced material degradation is accelerated by the higher defect formation tendency of MMLCs with a high-angle interlayer interface.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Microstructure refinement of hot deformed Dy-free NdFeB magnets through a novel cold sintering approach by pressure-assisted spark plasma sintering

Anisotropic fine-grained Dy-free NdFeB high-performance magnets were produced using a novel cold sintering approach by pressure-assisted spark plasma sintering (SPS). The NdFeB nanocrystalline ribbon powders were subjected to cold sintering below 450 °C using pressure-assisted SPS, followed by hot deformation at 710 °C and 810 °C via SPS. Results indicate that cold sintering below 450 °C effectively restricts grain growth in the NdFeB magnets, yielding sub-100 nm scale grains across both fine-grained regions and most coarse-grained regions. The refined grain structure achieved through cold sintering allows for a lower hot deformation temperature as compared with the magnet by conventional sintering, as finer grains allow easier deformation and grain sliding/rotation. This process produces a highly fine-grained and anisotropic microstructure to achieve high magnetic performance (i.e., high intrinsic coercivity, remanence, and maximum energy product) in the magnets. The cold sintering (at 350 °C) and lower hot deformation temperatures required (e.g., 710 °C) help control grain coarsening and limit grain size that is commensurate with the size of a single magnetic domain of the Nd 2 Fe 14 B magnetic matrix phase, resulting in high intrinsic coercivity (H ci =11.4 kOe). Furthermore, the reduced hot deformation temperature mitigates the formation of coarse grain bands, leading to improved magnetic properties, specifically an increased remanence (B r = 14.3 kGs) and a high maximum energy product ((BH) max = 48 MGOe). In conclusion, cold sintered hot deformed NdFeB magnet also shows good thermal stability with reversible temperature coefficient α(B r )= -0.097 %/K and α(H ci )= -0.616 %/K at elevated temperatures up to 400 K.

Cold Sintering↗
DOE OSTI2026

Aluminum bonded SmCo5 magnets with enhanced mechanical strength

Despite their versatility and easy manufacturability, polymer-bonded magnets find limited application due to their limited mechanical properties and temperature resistance. In this study, we developed mechanically robust, aluminum-bonded SmCo5 magnets by utilizing a low-temperature, shear-assisted friction consolidation technique. Bonded magnets with varying magnetic phase content were fabricated at processing temperature of 500°C, and their microstructures, magnetic, mechanical, and electrical properties were systematically investigated. The resulting bonded-magnets showed effective consolidation with nanocrystalline microstructures. Magnetic properties were found to be tunable through variations in binder phase content, with coercivity reaching values up to 15.3 kOe (1217.5 kA/m) and maximum magnetic energy product up to 3.6 MGOe (28.7 kJ/m3), which are comparable to other bonded magnets. Electrical resistivities were lower than the polymer-bonded magnets, but comparable to the sintered ones. We observed an average flexural strength of 223 MPa for 60 vol.% SmCo5/Al sample, which is nearly two times higher than the reported values for sintered and bonded Sm-Co magnets. Our research demonstrated an effective approach to fabricate metal-bonded permanent magnets with superior magnetic and mechanical properties potentially applicable for high temperature applications.

Poudel Chhetri, Tej Bahadur↗
DOE OSTI2023

Effects of particle shape and surface roughness on van der Waals interactions and coupling to dynamics in nanocrystals

The van der Waals interaction between colloids and nanoparticles is one of the key components to understanding particle aggregation, attachment, and assembly. While the ubiquity of anisotropic particle shapes and surface roughness is well-recognized in nanocrystalline materials, the effect of both on van der Waals forces and torques has not been adequately investigated. Here, in this study, we develop a numerical scheme and determine the van der Waals forces and torques between cubic particles with multiple configurations and relative orientations. Our results show that the van der Waals torque due to anisotropic particle shapes is appreciable at nearly all configurations and mutual angles, outcompeting Brownian motion for various materials systems and conditions. The effect of surface roughness increases this shape effect, resulting in stronger van der Waals interactions ascribed to protrusions in the rough surfaces. Moreover, a scaling analysis indicates that the surface roughness alters the separation dependence of the van der Waals force and, more importantly, significantly influences the dynamics of two approaching particles. Our results clearly demonstrate that surface roughness and anisotropic shape play a crucial role in the energetics and kinetics of various particle-scale and emergent phenomena, such as crystal growth by oriented attachment, nanomaterials synthesis and assembly, mud flow rheology, as well as the deposition of natural nanocrystals within the subsurface.

Arbitrary configurations↗
DOE OSTI2025

Influence of temperature, oxygen partial pressure, and microstructure on the high-temperature oxidation behavior of the SiC Layer of TRISO particles

Tristructural isotropic (TRISO)-coated fuel particles are designed for use in high-temperature gas-cooled nuclear reactors, featuring a structural SiC layer that may be exposed to oxygen-rich environments over 1000 °C. Surrogate TRISO particles were tested in 0.2–20 kPa O 2 atmospheres to observe the differences in oxidation behavior. Oxide growth mechanisms remained consistent from 1200–1600 °C for each P O$_2$ , with activation energies of 228 ± 7 kJ/mol for 20 kPa O 2 and 188 ± 8 kJ/mol for 0.2 kPa O 2 . At 1600 °C, kinetic analysis revealed a change in oxide growth mechanisms between 0.2 and 6 kPa O2. In 0.2 kPa O 2 , oxidation produced raised oxide nodules on pockets with nanocrystalline SiC. Oxidation mechanisms were determined using Atom probe tomography. Active SiC oxidation occurred in C-rich grain boundaries with low P O$_2$ , leading to SiO 2 buildup in porous nodules. Here, this phenomenon was not observed at any temperature in 20 kPa O 2 environments.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Exceptional radiation resistance of hardened amorphous SiC under high-temperature hydrogen ion implantation

This study provides a compelling comparison of the structural and mechanical responses of single-crystal silicon carbide (sc-SiC), nanocrystalline silicon carbide (nc-SiC), and amorphous silicon carbide (am-SiC) to hydrogen ion implantation at 650 °C across three distinct fluences: low, medium, and high (LF, MF, HF). While both sc-SiC and nc-SiC exhibit blistering, microcracking, and exfoliation, am-SiC remains free of blisters, demonstrating superior resilience. Notably, nc-SiC, with its high density of stacking faults (SFs), requires a higher fluence to initiate blistering compared to sc-SiC. At high fluences, hydrogen accumulation at grain boundaries (GBs) in nc-SiC elevates internal gas pressure, intensifying exfoliation. In sc-SiC, blistering leads to increased hardness, whereas in nc-SiC, the degradation of the SF structure results in a reduction in hardness. In contrast, am-SiC undergoes structural relaxation during irradiation, resulting in a significant increase in hardness while maintaining its structural integrity, with only the formation of nano-sized spherical bubbles observed. Furthermore, these findings highlight the exceptional suitability of am-SiC for nuclear applications, where resistance to radiation-induced microcracking is critical.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Synthesis and properties of bulk cobalt-carbide permanent magnets

Nanocrystalline bulk Co-C permanent magnets were produced by rapid hot consolidation of ball milled powder precursors. Bulk magnets with an average grain size of 20 nm and densities up to 94 percent of the theoretical density were successfully processed at pressures exceeding 1 GPa for the first time. Their microstructural and magnetic properties along with their magnetocrystalline anisotropy values are reported. Presence of iron contamination that results from the use steel milling media in milling was confirmed by elemental mapping of the bulk magnets. It is concluded that iron bonds in the form of hematite and does not adversely affect coercivity values. Here, this study shows that the Co 3 C compound does possess a sizable magnetocrystalline anisotropy, making it a suitable candidate as a rare earth free permanent magnet.

Co3 C↗
DOE OSTI2020

Multi-scale characterization and simulation of impact welding between immiscible Mg/steel alloys

Vaporizing foil actuator spot welding method is used in this paper to join magnesium alloy AZ31 and uncoated high-strength steel DP590, which are typically considered as un-weldable due to their high physical property disparities, low mutual solubility, and the lack of any intermetallic phases. Characterization results from scanning electron microscopy (SEM) and high-resolution transmission electron microscopy (HRTEM) of the weld interface indicate that the impact creates an Mg nanocrystalline interlayer with abundant Fe particles. The interlayer exhibits intact bonding with both DP590 and AZ31 substrates. To investigate the fundamental bond formation mechanisms at the interface, a finite element (FE)-based process simulation is first performed to calculate the local temperature and deformation at the interface under the given macroscopic experimental condition. Finally, taking the FE results at the interface as inputs, molecular dynamics (MD) simulations are conducted to study the interlayer formation at the Mg/Fe interface during the impact and cooling. The results found a high velocity shearing-induced mechanical mixing mechanism that mixes Mg/Fe atoms at the interface and creates the interlayer, leading to the metallurgical bond between Mg/steel alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Effects of crystallization on mechanical behavior and corrosion performance of a ductile Zr 68 Al 8 Ni8Cu 16 bulk metallic glass

Here, we studied the effects of heat treatment on the microstructures, crystallization kinetics, mechanical performance, and anti-corrosion behavior of a hypoeutectic Zr 68 Al 8 Ni 8 Cu 16 bulk metallic glass (BMG). Through annealing, the precipitated phases were crystalline Zr 2 Cu and Zr 2 Ni. The total crystallinity was determined to be 10% and 77% for the samples annealed at 673 K and 713 K, respectively. The partial crystallization of the alloy leads to a dramatic deterioration in the ductility as compared to the as-cast BMG. Furthermore, the decrease in the ductility was accompanied by an increase in the crystallinity. The as-cast Zr-based BMG exhibited a greater corrosion resistance in the HCl solution than that of the annealed alloy. The depletion in the Zr and Al cation fractions of the surface oxidation film, which resulted from the precipitation of reactive nanocrystalline phases from the glassy matrix, is responsible for the reduced corrosion resistance.

36 MATERIALS SCIENCE↗