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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 OSTI2024

Microstructural refinement of an Al-Ce-Mg alloy via Shear Assisted Processing and Extrusion

Al-Ce alloys have attracted recent interest because of their high thermal stability due to the low solubility of Ce in the Al matrix. The Al 11 Ce 3 eutectic phase gives excellent strain hardening behavior and moderate high-temperature strength in the as-cast state. However, its strengthening effect is limited by its coarse as-cast structure. Therefore, alternative manufacturing methods such as additive manufacturing or equal channel angular pressing have been applied to refine the Al 11 Ce 3 phase to good effect. However, these techniques are both expensive and time-consuming. Therefore, this study aims to use Shear Assisted Processing and Extrusion (ShAPE), an emerging solid phase processing technique that is more easily scalable than the previously mentioned methods. ShAPE can produce useful cross-sections of an Al-8Ce-4Mg alloy while refining the Al 11 Ce 3 phase to produce a higher strength material. It was found that a low temperature ShAPE process can improve the room temperature yield strength by ~60 % compared to a binary Al-4Mg alloy. Additionally, the high-temperature yield strength of the Al-Ce alloys increased by 20%, with a simultaneous 15% improvement in ductility compared to the binary Al-Mg alloy. Finally, these results highlight the potential for ShAPE as a processing technique for Al-Ce alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Understanding the deformation behavior of the γ rich transformative Fe 38.5 Mn 20 Co 20 Cr 15 Si 5 Cu 1.5 complex concentrated alloy using in situ synchrotron diffraction

In situ tensile testing coupled with synchrotron x-ray diffraction was used to study the deformation behavior of metastability-engineered Fe 38.5 Mn 20 Co 20 Cr 15 Si 5 Cu 1.5 complex concentrated alloy. Monitoring the evolution of phase fraction and strain hardening response allowed the determination of true critical stress for the onset of the transformation-induced plasticity (TRIP) to be ∼375 MPa, preceded by slip starting at ∼255 MPa. In situ EBSD was used to validate the critical stress for transformation at the microstructure level and observe slip traces to confirm prior slip activity before the transformation. Further, a modeling framework based on stacking fault energy (SFE) was developed to predict the critical stress for transformation. Modeling suggested the SFE of the alloy to fall nearly 15 mJ/m 2 , which agrees well with SFE values calculated using synchrotron peak shifting (12 mJ/m 2 ) and thermodynamic calculation (11 mJ/m 2 ). As a result of γ-fcc to ε-hcp phase transformation, new {0002} ε planes emerged parallel to unaligned {111} γ planes with the tensile loading following S-N orientation relationship. Such selective emergence of new diffraction rings corresponding to ε phase is understood based on the reorientation of γ crystals with reference to tensile axis. In conclusion, this approach can be extended to effectively design alloys based on critical stress required for activating different deformation mechanisms to further push the limits of the strength-ductility envelope.

Complex concentrated alloy↗
DOE OSTI2026

Directed energy deposition of Haynes 282 nickel superalloy

Laser powder directed energy deposition was employed to fabricate Haynes® 282 Ni-based superalloy for high temperature creep testing. Material was heat treated using a single-step aging heat treatment of 800 °C for 4 h. Microstructural analysis was conducted in the as-deposited, solution-annealed, and age-hardened conditions. γ′ precipitates were absent in the as-deposited and annealed condition but formed during aging with an average size of 48.5 ± 12 nm. γ’ denuded zones ranging in thickness from 73 to 469 nm were observed adjacent to an effectively continuous grain boundary carbide film that covered 72.5% of the measured boundary length. The heat-treated material contained a high-volume fraction of TiC carbides ranging in size from 38 to 457 nm. Electron backscatter diffraction showed partial recrystallization, with 77-83% recrystallized area and a heterogeneous grain-size distribution. Creep testing at 750 °C at 300, 320, and 350 MPa revealed significantly inferior performance compared to wrought material, with higher strain rates, earlier tertiary onset, and shorter rupture lives. Fractography shows that failure was dominated by intergranular rupture. Post rupture microstructural analysis results suggest that the creep behavior was primarily governed by the non-equilibrium interface network rather than the bulk γ/γ’ matrix. In conclusion, the findings indicate that achieving wrought-like creep performance necessitates substantial improvements in the additive process, specifically focusing on enhanced homogenization, full recrystallization, and precise control over the morphology and distribution of carbides.

36 - MATERIALS SCIENCE↗
DOE OSTI2026

Microstructural evolution, defect mitigation, and precipitation behavior in AA6061 via laser powder bed fusion with high-temperature substrate heating

Defects, particularly solidification cracking, remain persistent challenges in the laser powder bed fusion (LPBF) processing of AA6061 aluminum alloy. This study systematically investigates defect mitigation, microstructural evolution, and mechanical properties associated with high-temperature substrate preheating at 500 °C. Comprehensive microstructural analyses, including characterization of defects, grain structures, and precipitation behavior, were performed on samples in both as-built and T6 heat-treated states. Elevated preheating substantially reduced solidification cracking across a wide processing window, while demonstrating decreased crack sensitivity to laser parameters. Columnar cracks along the build direction were observed despite substrate preheating. Lack-of-fusion and keyhole porosity were effectively eliminated, though gas-induced microporosity persisted at higher powers. In-depth characterization of two distinct laser power and speed conditions confirmed the formation of micron-sized, non-coherent Mg 2 Si precipitates under heated substrate conditions, alongside α-AlFeCrMnSi intermetallic phases indicative of in-situ thermal effects during fabrication. Subsequent T6 heat treatment revealed the formation of fine, coherent needle-shaped β″ strengthening precipitates. Despite substantial differences in processing parameters, comparable mechanical properties were measured in the as-built samples (∼52 MPa yield strength, ∼130 MPa tensile strength), primarily due to reduced strain hardening effects and consistent precipitation characteristics. Meanwhile, the T6 heat treatment led to significant improvement in properties, enhancing yield strength by over 400%, aligning closely with the performance of conventional wrought AA6061-T6. These findings underscore that high-temperature substrate preheating offers an effective means to suppress cracks, control precipitation, and enhance mechanical performance in LPBF-processed AA6061.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Spectrally-dependent positive and negative photo-plastic effects in CdZnTe and CdZnTeSe

We studied the Vickers microhardness HV0.025 of CdZnTe and CdZnTeSe samples upon illumination with quasi-monochromatic light with wavelengths ranging between 750 and 1540 nm. We observed that light with a wavelength close to or above the bandgap of the samples results in a positive photo-plastic effect (hardening), and light in the spectral range well below the band gap can lead both to positive or negative effects depending on the parameters of deep levels in the bandgap. We performed measurements of spectrally dependent photoconductivity and compared them with HV0.025. Based on the analysis, we propose a complex qualitative model explaining the spectral dependence of HV0.025 by the charging and neutralization of deep levels by optical transitions between the valence and conduction bands and between the bands and deep levels in the band gap. Tuning of parameters of deep levels could be used to control the sign and magnitude of the photo-plastic effect.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Deformation behavior of metallic glass composites and plasticity accommodation at microstructural length-scales

Bulk metallic glass matrix composites represent a unique microstructural design strategy for overcoming the strength/ductility trade-off in structural alloys. Site-specific mechanical behavior of a Ti-based bulk metallic glass composite was evaluated at microstructural length-scale. The micro-pillars on the amorphous matrix showed on average a yield point of 1.9 GPa followed by serrated plastic deformation characteristic of shear banding. In contrast, micro-pillars on the crystalline dendritic phase showed a much lower yield strength of 0.72 GPa on average for the four different crystallographic orientations chosen, smooth plastic flow with no recognizable load burst, and stable strain-hardening after yield point. A number of micro-pillars were made at the interface between the glassy matrix and the crystalline dendrite. The mixed micro-pillars showed homogeneous deformation and greater plasticity which was attributed to their smaller stored elastic energy. Shear bands initiated in the amorphous matrix were arrested by the crystalline dendrite, which accommodated plasticity through slip bands and dislocations pile-ups. The interface remained intact after plastic deformation, with no observable signs of devitrification in the amorphous phase.

Bulk metallic glass matrix composite, Micro-pillar↗
DOE OSTI2022

Comparison of cracking behavior of nanocrystalline Cu film on substrates of different plastic deformation mechanisms

Nanocrystalline (NC) metallic thin films on metal substrates usually undergo substantial cracking at applied strains of a few percent due to strain concentration at the film/substrate interfaces. In this work, we show that the cracking of a nanocrystalline Cu film can be significantly inhibited by a NiTi substrate. NC Cu films are deposited on 304 stainless steel, Kapton and NiTi substrates, in which plastic deformation occurs via dislocation slip, molecule chain disentanglement and collective lattice shear, respectively. NC Cu film on NiTi substrate starts to show observable cracks at an applied strain of 24%, in contrast to 6% for that on steel and 15% for that on Kapton. Further, the crack density in the film on NiTi substrate is two to three orders lower than the counterparts. The discrepancy is suggested to attribute to the reduced local strain concentration enabled by the uniform lattice shear and high strain hardening of the NiTi substrate.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Electro and electro-photo plasticity of CdZnTeSe and CdZnTe

In this work, we studied the influence of applied bias on of the Vickers microhardness HV 0.025 of CdZnTeSe and CdZnTe semi-insulating samples without and with the illumination of light at 870 nm. We observed that a small applied bias results in the hardening of the material. The effect is strongest at a bias of ± 0.5 V and is further strengthened by additional illumination. We suggest that the observed positive electro and electro-photo plastic effects in CdZnTeSe and CdZnTe can be explained by an increase in the concentration of free electrons and holes injected from contacts in a biased sample or generated by illumination. These free carriers can be trapped at dislocations and induce a reconstruction of bonds at the dislocation core. The necessity to break the bonds before dislocation glide results in an increase of microhardness.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Atomistic and phase field simulations of three dimensional interactions of {$10\bar12$} twins with grain boundaries in Mg: twin transmission and dislocation emission

In polycrystals, the interaction of dislocations and twins with grain boundaries (GBs) plays a role in hardening and formability during plastic deformation. While dislocation-GB interactions are relatively well-understood, twin-GB interactions remain mostly unknown. In this work, an approach using molecular dynamics and phase-field simulations is followed to study the forward and lateral interactions between {$10\bar12$} twins and tilt grain boundaries in Mg. Molecular dynamics results show that the resolved shear stress on slip/twinning modes of the neighboring grain, not the geometric alignment, is the dominant factor in determining the outcome of the twin-GB interactions. For some lateral interaction configurations, as the misorientation angle increases, the resolved shear stress on the same {$10\bar12$} twin variant of the neighboring grain reduces while it increases for slip or I 2 stacking fault emissions or other twin modes such as {$11\bar12$} and {$10\bar11$}, explaining why twin transmission is not seen at high misorientation angles. Furthermore, lateral and forward interactions of the twin with tilt grain boundaries whose misorientation axes are normal to the coherent twin boundary show significantly different outcomes. For the forward interaction, the twin is absorbed and stacking faults are emitted when interacting for low misorientation angles (up to 30°) while the lateral interaction results in twin transmission, nucleation of a {$11\bar12$} twin, and emission of I 2 stacking faults. Finally, comparisons between twin interactions with symmetric and asymmetric tilt GBs with different GB structures show similar outcomes.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Micro-beam bending of FCC bicrystals: A comparison between defect dynamics simulations and experiments

To understand the role of the grain boundary (GB) in plasticity at small scale, a concurrently coupled mesoscale plasticity model was developed to simulate micro-bending of bicrystalline micron-sized beams. By coupling dislocation dynamics (DD) with a finite element model (FEM), a novel defect dynamics model provides the means to investigate intricate interactions between dislocations and GBs under various loading conditions. Our simulations of micro-bending agree well with corresponding micro-bending experiments, and they show that mechanical response of bicrystals could have not only hardening but also softening depending on the characters of the GB. In addition, changing the location of the GB in the microbeams results in different mechanical responses; GBs located at the neutral plane show softening compared to single crystals, while inclined GBs located halfway along the length of the beam show little effect. In conclusion, simulation results could provide a clear picture on detailed dislocation-GB interactions, and quantitative resolved shear stress analysis supplemented by dislocation density distribution is used to analyze the mechanical response of bicrystalline samples.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Tuning austenite stability through prior microstructure control in a low-alloy Q&P steel

Quenching and partitioning (Q&P) processing is a widely accepted heat treatment methodology for creating high strength steels consisting of ferrite, martensite, and austenite, while maintaining relatively low manufacturing costs. Though the research on effects of prior microstructure is limited, an understanding of the heat treatment response of different starting microstructures is critical to processing and creating steels with complex microstructures that contain retained austenite and may afford opportunities to further optimize properties. This study investigates the influence of starting microstructure (ferrite/pearlite versus martensite) and prior levels of cold work (38 verses 58 %) on the microstructural development and mechanical properties of a 0.2 C-2.0 Mn-1.5 Si (wt.%) steel exposed to Q&P processing. Samples with a starting martensitic microstructure resulted in higher retained austenite fractions and a more homogeneous microstructure after Q&P processing compared to a starting microstructure of ferrite-pearlite. Starting martensitic microstructures also displayed higher work hardening rates and higher uniform elongations. Larger cold reductions saw accelerated dissolution kinetics and austenite formation during intercritical annealing, resulting in more similar final microstructures from the ferrite-pearlite and martensitic starting microstructures. Finally, the results presented here indicate that varying prior processing can be a route to manipulate and control austenite stability in a Q&P processed steel.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Decoupling the effects of substrate hardness and roughness upon particle adhesion in cold spray

There are two stages of particle adhesion relevant to cold spray: adhesion of the first layer to the substrate, followed by inter-particle adhesion during subsequent deposition. In this work we study the second of these, in which particles strike a previously-deposited layer that is roughened and hardened by prior particle impacts. Specifically, we decouple the effects of surface roughness and hardness on particle adhesion for copper-on-copper impacts. We measure changes to the critical velocity, V cr , in single particle impacts produced by the Laser Induced Particle Impact Test on several surfaces including a cold sprayed surface and a polished version of that surface. We find that increases in both substrate roughness and hardness suppress particle adhesion to higher velocities, indeed in rather equal proportion by ∼10–15% each. This suggests that there is a higher V cr associated with coating build-up (particle-particle bonding) that is overall ∼30% higher than V cr for particle-substrate adhesion.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Origin of ultralow phonon transport and strong anharmonicity in lead-free halide perovskites

All-inorganic lead-free halide double perovskites offer a promising avenue toward non-toxic, stable optoelectronic materials, properties that are missing in their prominent lead-containing counterparts. Their large thermopowers and high carrier mobilities also make them promising for thermoelectric applications. Here, in this work, we present a first-principles study of the lattice vibrations and thermal transport behaviors of Cs 2 SnI 6 and γ-CsSnI 3 , two prototypical compounds in this materials class. We show that conventional static zero temperature density functional theory (DFT) calculations severely underestimate the lattice thermal conductivities (κ l ) of these compounds, indicating the importance of dynamical effects. By calculating anharmonic renormalized phonon dispersions, we show that some optic phonons significantly harden with increasing temperature (T), which reduces the scattering of heat carrying phonons and enhances calculated κ l values when compared with standard zero temperature DFT. Furthermore, we demonstrate that coherence contributions to κ l , arising from wave like phonon tunneling, are important in both compounds. Overall, calculated κ l with temperature-dependent interatomic force constants, built from particle and coherence contributions, are in good agreement with available measured data, for both magnitude and temperature dependence. Large anharmonicity combined with low phonon group velocities yield ultralow values, with room temperature values of 0.26 W/m-K and 0.72 W/m-K predicted for Cs 2 SnI 6 and γ-CsSnI 3 , respectively. We further show that the lattice dynamics of these compounds are highly anharmonic, largely mediated by rotation of the SnI6 octahedra and localized modes originating from Cs rattling motion. These thermal characteristics combined with their previously computed excellent electronic properties make these perovskites promising candidates for optoelectronic and room temperature thermoelectric applications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Distinguishing fissile uranium isotopes using an active well neutron coincidence counter

Proposed thorium-based nuclear fuel cycles are likely to require quantification and verification of 233 U within nuclear material. Because of their similar fission cross sections, active neutron nondestructive assay (NDA) systems may respond similarly to 233 U and 235 U. Traditional safeguards equipment has been optimized for 235 U and 238 U quantification associated with conventional uranium/plutonium fuel cycles and may not be directly applicable to 233 U quantification when mixed with other actinides. This work used models of the large volume active well coincidence counter (LV-AWCC) at Oak Ridge National Laboratory to evaluate the performance of this neutron NDA system to differentiate fissile uranium isotopes. The models were developed to simulate NDA system performance in response to a number of triangular radiation signature training device sources within the central cavity or well. This work predicted that the LV-AWCC can effectively differentiate 233 U from 235 U in certain modes of operation. In active mode, the LV-AWCC with the cadmium liner results in different doubles count rates between the fissile isotopes for a given fissile uranium mass. Without the cadmium liner, the uranium isotopes provide a statistically indistinguishable doubles count rate response for the fissile masses considered in this work (up to approximately 150 g). The cadmium liner serves to harden the neutron interrogation spectrum, which better exploits the notable difference in the 233 U and 235 U fission cross sections at approximately 1 eV. In passive mode, the two fissile isotopes exhibit different doubles and singles count rates regardless of liner presence because the passive source strength of 233 U is approximately 2 orders of magnitude stronger than that of 235 U due to the shorter half-life and correspondingly higher (α, n) yield. We conclude that using neutron interrogation in the LV-AWCC, two measurements are needed to quantify 233 U content in mixed uranium items. The first measurement is used to determine the total fissile uranium mass using a mode that cannot distinguish fissile isotopes (i.e., where a similar response is observed for both fissile uranium isotopes such as active doubles without cadmium or using a thermal neutron interrogation source). In conclusion, the second measurement is used to determine the 233 U content by using a differentiating technique (e.g., passive doubles, passive doubles to singles ratio, active doubles with cadmium).

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

The effects of high energy deuteron ion beam irradiation on the tensile behavior of HT-9

Ion beam implantations are widely performed to understand the effects of irradiation-induced displacement damage on nuclear structural materials. However, the volume of material that can be investigated is often limited by the maximum energies of accelerator facilitates, leading to a limitation in the thickness of samples whose mechanical properties can be evaluated. The Lawrence Berkeley National Laboratory’s 88-Inch Cyclotron offers a wide range of ions and energies, allowing for material ion implantations at larger scales than typical. Four HT-9 SS-J-geometry tensile specimens were polished and then irradiated with deuterons at the 88-Inch Cyclotron to doses of approximately 0.2 dpa prior to small scale tensile testing. Here, the results from this study show irradiation hardening characterized by the tensile test results and black dot irradiation defects. Additionally, a comprehensive look at low temperature irradiations of high-Cr F/M steels is presented and our results show agreement with the available data.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Automated reactor physics analysis framework of High Flux Isotope Reactor low-enriched uranium silicide dispersion fuel designs

The High Flux Isotope Reactor (HFIR) is a versatile research reactor that provides one of the highest steady-state neutron fluxes of any reactor in the world. The HFIR reactor physics team investigated the conversion of the current 93 wt% highly enriched uranium U 3 O 8 -Al dispersion fuel to a 19.75% low-enriched uranium (LEU) U 3 Si 2 -Al dispersion fuel. The team continuously develops a Python module to streamline the analysis steps required for an LEU core design to ensure reproducible and agile design iteration. The Python module automates the data processing between analysis steps and automates the input perturbation for branch calculations and design changes. The automated framework has proven to significantly increase the efficiency and reproducibility of the reactor physics team to design High Flux Isotope Reactor (HFIR) LEU cores and thoroughly analyze performance metrics, safety metrics, and thermal safety margins. Consequently, the team can now respond rapidly to fuel fabrication engineer and thermal-hydraulic-structural analyst requests. Numerous combinations of LEU fuel designs are explored, of which two LEU fuel designs are presented here in this paper: a low density silicide design, and a high-density silicide design. Results show that both designs meet or exceed safety and performance metrics with exception for minor differences caused by the hardened spectrum from LEU.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2025

Faster solutions to the interdiction defense problem using suboptimal solutions

The interdiction defense (ID) problem solves a defender-attacker-defender model where the defender and attacker share the same set of components to harden and target. Here, we build upon the best response intersection (BRI) algorithm by developing the BRI with suboptimal solutions (BRI-SS) algorithm to solve the ID problem. The BRI-SS algorithm utilizes off-the-shelf optimization solvers that return suboptimal solutions at no additional computation cost. We derive novel cuts from suboptimal solutions, reducing the number of iterations required for the algorithm to converge while maintaining optimality guarantees. We also present a heuristic that utilizes all obtained suboptimal solutions to select the next defense to evaluate at each iteration. We perform computational experiments applied to power grid interdiction on standard test cases. Our results demonstrate that the BRI-SS algorithm consistently outperforms the BRI algorithm across all test cases.

Computer science↗
DOE OSTI2024

From biowaste to BioPave: Biological pathways for sequestration of anthropogenic CO 2 and enhancing durability of roadway infrastructures

Biomass-derived bio-oils are emerging as sustainable, low-carbon alternatives for construction materials, particularly in innovative pavement applications, 'BioPave'. Here, this study evaluates bio-oils from various sources, including algae and wastewater biomass, revealing variations in carbon, nitrogen, and sulfur contents, along with viscosity. We focused on their application in outdoor construction, assessing their resistance to thermal and solar radiation, and moisture. The study also examines their interaction with siliceous surfaces and their influence on asphalt adhesion in BioPave systems under moisture conditions. Laboratory experiments and computational modeling demonstrated molecular composition significantly influenced bio-oils' responses to thermal and UV exposure. Bio-oils rich in polar groups showed hardening upon thermal treatment, while those with higher concentrations of saturated aliphatics remained more stable. Furthermore, our findings highlight the significance of dosage control in maximizing beneficial effects of bio-oils in intermolecular interactions at bitumen-aggregate interface in BioPave applications. These findings offer insights into the potential of bio-oils in sustainable construction and the need for dosage control to optimize pavement performance.

59 BASIC BIOLOGICAL SCIENCES↗