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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Two-Phase Flow Mechanisms Controlling CO2 Intrusion into Shaly Caprock

Abstract Geologic carbon storage in deep saline aquifers has emerged as a promising technique to mitigate climate change. CO 2 is buoyant at the storage conditions and tends to float over the resident brine jeopardizing long-term containment goals. Therefore, the caprock sealing capacity is of great importance and requires detailed assessment. We perform supercritical CO 2 injection experiments on shaly caprock samples (intact caprock and fault zone) under representative subsurface conditions. We numerically simulate the experiments, satisfactorily reproducing the observed evolution trends. Simulation results highlight the dynamics of CO 2 flow through the specimens with implications to CO 2 leakage risk assessment in field practices. The large injection-induced overpressure drives CO 2 in free phase into the caprock specimens. However, the relative permeability increase following the drainage path is insufficient to provoke an effective advancement of the free-phase CO 2 . As a result, the bulk CO 2 front becomes almost immobile. This implies that the caprock sealing capacity is unlikely to be compromised by a rapid capillary breakthrough and the injected CO 2 does not penetrate deep into the caprock. In the long term, the intrinsically slow molecular diffusion appears to dominate the migration of CO 2 dissolved into brine. Nonetheless, the inherently tortuous nature of shaly caprock further holds back the diffusive flow, favoring safe underground storage of CO 2 over geological time scales.

58 GEOSCIENCES↗
DOE OSTI2023

Global Characteristics of Observable Foreshocks for Large Earthquakes

Abstract Foreshocks are the only currently widely identified precursory seismic behavior, yet their utility and even identifiability are problematic, in part because of extreme variation in behavior. Here, we establish some global trends that help identify the expected frequency of foreshocks as well the type of earthquake most prone to foreshocks. We establish these tendencies using the global earthquake catalog of the U.S. Geological Survey National Earthquake Information Center with a completeness level of magnitude 5 and mainshocks with Mw≥7.0. Foreshocks are identified using three clustering algorithms to address the challenge of distinguishing foreshocks from background activity. The methods give a range of 15%–43% of large mainshocks having at least one foreshock but a narrower range of 13%–26% having at least one foreshock with magnitude within two units of the mainshock magnitude. These observed global foreshock rates are similar to regional values for a completeness level of magnitude 3 using the same detection conditions. The foreshock sequences have distinctive characteristics with the global composite population b-values being lower for foreshocks than for aftershocks, an attribute that is also manifested in synthetic catalogs computed by epidemic-type aftershock sequences, which intrinsically involves only cascading processes. Focal mechanism similarity of foreshocks relative to mainshocks is more pronounced than for aftershocks. Despite these distinguishing characteristics of foreshock sequences, the conditions that promote high foreshock productivity are similar to those that promote high aftershock productivity. For instance, a modestly higher percentage of interplate mainshocks have foreshocks than intraplate mainshocks, and reverse faulting events slightly more commonly have foreshocks than normal or strike-slip-faulting mainshocks. The western circum-Pacific is prone to having slightly more foreshock activity than the eastern circum-Pacific.

Geochemistry & Geophysics↗
DOE OSTI2020

Investigation of the structure and chemical nature of Pd fission product agglomerations in irradiated TRISO particle SiC

Tristructural-isotropic (TRISO)-coated fuel particles are used in high-temperature gas-cooled nuclear reactors. Although the polycrystalline 3C-SiC layer acts as the main barrier to fission product release, post-irradiation examinations have shown that certain metallic fission products are found outside of the TRISO coated particle, with no observable micro-cracks or other mechanical failure feature. In this study, an atomic resolution transmission electron microscopy investigation of a SiC layer of a neutron irradiated (19.38% fissions per initial metal atom average burnup; 1072°C time-averaged temperature) TRISO-coated particle from the first advanced gas reactor experiment at Idaho National Laboratory containing mainly Pd and U was conducted. The fission product Pd was found to be present at dislocation cores associated with twins, stacking faults, and their intersections. The Pd present at the dislocation cores were bonded to Si, suggesting that the diffusion of Pd along the SiC dislocation cores involves the formation of Pd-Si bonds. Evidence of single atom grain boundary migration was also found. Fission product agglomerations at grain boundaries most likely consist of a random solid solution containing Si-FP, Si-C, and C-C type bonding arrangements. No difference in the Si- or C-bonding environment is found for the unoccupied grain boundary adjacent to a fission product agglomeration compared to the bulk SiC.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Elucidating the mechanical and thermal response of nanotwinned Ni alloys

Transformative advances in nanoscale materials synthesis, characterization and modeling are enabling the synthesis of materials with unprecedent properties and greater understanding of the nanoscale mechanisms that underpin these properties. Nanotwinned Cu alloys have received considerable attention due to their impressive balance of strength and ductility, but they have limited microstructural stability. Recent instantiation of nanotwins in sputter deposited Ni-Mo-W, and several commercial Ni-based superalloys, point to the potential development of a new class of high temperature materials with a very beneficial suite of mechanical and physical properties. The experimental study described in this report was undertaken to elucidate the nanoscale origins of the thermal and mechanical behavior of nanotwinned Ni alloys. Micropillar compression experiments have shown nanotwinned Ni 85 Mo 15-x W x alloys to possess unusually high strengths above 3.5GPa and enhanced microstructural stability. The strength of these nanotwinned alloys is determined by the abrupt formation of shear bands. This study focused on identifying the nanoscale trigger, or triggers, for shear banding in nanotwinned materials using in situ experiments and atomic-scale postmortem analysis. Contrasting and comparing the mechanical response and postmortem nanostructures of “Mo-rich” and “W-rich” nanotwinned specimens elucidated the importance of the lateral motion of easy glide defects that results in erasure of twins and local coarsening of the nanotwinned microstructure. This twin coarsening was then associated with very localized plasticity, strain softening, and shear band formation. The difference between alloys was further studied by considering the role of various material factors: stacking fault energy, coherent twin boundary spacing and flatness, grain size, and the interactions of solute atoms with twin and grain boundaries. The effect of alloy composition and sputtering power and temperature were also investigated and used to control twin spacing and geometry. Combined with atomic-scale simulations, these experiments insights should allow us to identify strategies for achieving concomitant ultrahigh strength and ductility in nanotwinned Ni alloys. In parallel but synergistic studies, our work was buoyed by collaborative state-of-the-art nanoscale orientation and strain mapping at the DOE National Center for Electron Microscopy (NCEM). For example, novel 4D-STEM techniques were used to acquire nanoscale strain maps. The extremely fine twin spacing limited our measurements of atomic-scale thermal expansion within twins, but recent results from NCEM suggest that it will soon be possible to conduct such measurements and to unravel the origins of the novel thermal expansion characteristics of nanotwinned Ni alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Effect of Zn Addition on Phase Evolution in AlCrFeCoNiZn High–Entropy Alloy

The addition of Zn to AlCrFeCoNi high-entropy alloy (HEA) poses intriguing questions as to how it would affect phase evolution. Herein, the phase evolution in AlCrFeCoNiZn is studied using a combination of experimental techniques (X-ray diffraction, scanning electron microscopy, energy-dispersive spectroscopy, and differential scanning calorimetry) and computational (density-functional theory [DFT], calculation of phase diagrams, and machine-learning) methods. Mechanically alloyed and spark-plasma-sintered AlCrFeCoNiZn assumes a metastable single-phase, body-centered-cubic (BCC) structure that undergoes diffusion-controlled phase separation upon subsequent heat treatment to form separate (Al, Cr)-rich, (Fe, Co)-rich, and (Zn, Ni)-rich phases. The formation of (Al, Cr)-rich phase, not reported previously in AlCrFeCoNi-based HEAs, is attributed to strong clustering tendency of Cr–Zn and Cr–Ni pairs, combined with the strong ordering of Zn–Ni pair, driving out Cr that in turn combines with Al to form a (Al, Cr)-rich phase. In the DFT results, the formation of thermodynamically stable L1 2 phase is shown wherein Cr–Fe–Zn [Al–Ni-Co] preferably occupy1a (000) [3c (0 ½ ½)] positions. Furthermore, the sluggish diffusional transformation to L1 2 phase from BCC precursors is attributed to the small stacking-fault energy of AlCrFeCoNiZn. The equilibrated HEA exhibits a high microhardness of 8.24 GPa with an elastic modulus of 184 GPa.

36 MATERIALS SCIENCE↗
DOE OSTI2022

In-situ radiation response of additively manufactured modified Inconel 718 alloys

Here in this study, a novel alloy of modified Inconel 718 produced by laser powder bed fusion is studied before and after in-situ Kr irradiation up to 3 dpa at 200 and 450 °C. Before irradiation, the microstructure consists of dislocation cells having a misorientation angle less than 5° and with an average size of ~500 nm. There are also second phase particles of MC type carbides, Laves phase and oxides such as Y-O, Y-(Ti)-Al-O. While the microstructure consists of stacking fault tetrahedra, faulted and perfect loops after irradiation at 200 °C, dislocation loops are the primary defects at 450 °C. With increasing dose, the size of the defects remains similar at 200 °C while it increases at 450 °C. This has been attributed to the existence of vacancy type defects at 200 °C and the different defect transport mechanisms at different temperatures. Moreover, matrix and second phase particle compositions seem to be similar after irradiation. The sink strengths of the structures have been calculated and superior radiation resistance of this alloy has been attributed to the existence of fine cell boundaries stabilized by the second phase particles produced by additive manufacturing.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Irradiation-induced shift in the thermodynamic stability of phases and the self-healing effect in transformative high entropy alloys

Here, this work investigated Fe 40 Mn 20 Cr 15 Co 20 Si 5 high entropy alloy (CS-HEA), which exhibits transformation induced plasticity (TRIP) from γ-fcc → ε-hcp, as a probable candidate for nuclear applications. CS-HEA is an extensively-explored, low stacking fault energy alloy with superior strength, ductility, fatigue resistance, and corrosion resistance. This study delved into the effect of irradiation on the shift in thermodynamic stability of the phases and thus radiation tolerance. The evolution of phases, lattice parameters, and transformation volume, V γ→ε , were evaluated from X-ray diffraction experiments along with the mechanical response from nanoindentation. The alloy exhibited a recently-proposed novel self-healing mechanism possible due to the TRIP effect to minimize irradiation damage by restraining the γ-fcc → ε-hcp transformation via thermal aid; this self-healing mechanism was confirmed by transmission electron microscopy. The results were corroborated by a negative change in V γ→ε and a low |V γ→ε |, which is an important criterion for recovery of parent γ-fcc phase. Thus, this alloy was deemed a good radiation-tolerant candidate for nuclear application.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Frictional Behavior Downdip Along the Subduction Megathrust: Insights From Laboratory Experiments on Exhumed Samples at In Situ Conditions

Subduction megathrusts exhibit a spectrum of slip modes, including catastrophic earthquakes. Although the mechanical and frictional properties of materials sampled from subduction zones have been studied extensively, few datasets have been collected for compositions and at pressure and temperature conditions representative of those in situ. The Nankai subduction zone in southwest Japan is a well-studied margin, and abundant data provide an opportunity to advance our understanding of fault and earthquake physics. Here, we use samples exhumed in the Shimanto and Sanbagawa Belts on Shikoku Island of southwest Japan that represent analogs for materials along the present-day megathrust at depths of ~5–>25 km, and we shear these at their peak in situ pressure-temperature (P-T) conditions. Effective normal stresses range from 28 to 192 MPa, and temperatures from 105°C to 470°C. We used pore fluid pressures of 45–240 MPa, corresponding to fluid overpressure ratios λ of 0.65 and 0.90. Slip velocities of 0.1–100 μm/s were used, in order to focus on the nucleation of instability and earthquakes. We found predominantly velocity-strengthening (inherently stable) behavior under all conditions for λ = 0.65. For λ = 0.90, velocity-weakening behavior was observed at 350°C, with velocity-strengthening behavior at lower and higher temperatures. The rate/state frictional stability parameter (a-b) increases with slip velocity at temperatures up to ~200°C and remains constant or decreases with slip velocity at higher temperatures. Altogether, our results demonstrate the potentially important roles of both temperature and slip velocity in controlling the distribution of stress and frictional rheology along subduction thrusts.

58 GEOSCIENCES↗
DOE OSTI2025

Facet-Dependent Cold Welding of Au Nanorods Revealed by Liquid Cell Transmission Electron Microscopy

Cold welding of metals at the nanoscale has been demonstrated to play a significant role in bottom-up manufacturing and self-healing processes of nanostructures and nanodevices. However, the welding mechanism at the nanoscale is not well understood. In this study, a comprehensive demonstration of the cold welding process of gold nanorods with different modes is presented through in situ liquid cell transmission electron microscopy. The experimental results and molecular dynamics simulations reveal that the nanorods are welded through the facet-dependent atomic surface diffusion and rearrangement along {100} facets. The density functional theory calculations indicate that the preferred coalescence of two {100} surfaces is thermodynamically favorable. Unlike the prevalent “oriented attachment” in the nanoparticle coalescence, the misalignment of nanorod orientations and local stresses can induce grain boundaries and stacking faults in the welded interface.

42 ENGINEERING↗
DOE OSTI2020

Variations of Stress Parameters in the Southern California Plate Boundary Around the South Central Transverse Ranges

We examine the stress field in Southern California with a focus on the region near the South Central Transverse Ranges (SCTR), using a refined stress inversion methodology. We independently invert declustered and aftershocks focal mechanisms from the years 1981 to 2017. Comparisons between the stress field orientations and the stress ratios from these inversions provide information on local sources of the stress field. Regionally, the SHmax tends to be toward NNE and the stress ratios vary from transtensional stress regime near the Eastern California Shear Zone (ECSZ), to strike-slip faulting near the SCTR, and toward transpression near the Western Transverse Ranges. Detailed analysis of stress parameters near the SCTR indicates deviations from the regional strike-slip faulting including the following: (1) The San Bernardino Mountain area shows S Hmax direction toward NNW and transpressional stress components likely associated with the motions of the San Andreas Fault and ECSZ; (2) the Cajon Pass and San Gorgonio Pass show transpressional stress regime near the bottom of the seismogenic zone likely associated with the elevated topography; and (3) in Crafton Hills, rotation of the principal stress plunges and SHmax direction and transtensional stress regime below ~10 km, along with lower estimated apparent friction coefficient, suggest a weak fault possibly associated with deep creep. The performed multiscale analysis resolves effects of regional and local loadings. The average stress parameters in the analyzed 37 years do not show significant temporal variations of stress field near the SCTR region.

58 GEOSCIENCES↗
DOE OSTI2023

Spin-squeezed Gottesman-Kitaev-Preskill codes for quantum error correction in atomic ensembles

Gottesman-Kitaev-Preskill (GKP) codes encode a qubit in displaced phase-space combs of a continuous-variable (CV) quantum system and are useful for correcting a variety of high-weight photonic errors. Here we propose atomic ensemble analogs of the single-mode CV GKP code by using the quantum central limit theorem to pull back the phase-space structure of a CV system to the compact phase space of a quantum spin system. We study the optimal recovery performance of these codes under error channels described by stochastic relaxation and isotropic ballistic dephasing processes using the diversity combining approach for calculating channel fidelity. Additionally, we find that the spin GKP codes outperform other spin system codes such as cat codes or binomial codes. Our spin GKP codes based on the two-axis countertwisting interaction and superpositions of SU(2) coherent states are direct spin analogs of the finite-energy CV GKP codes, whereas our codes based on one-axis twisting do not yet have well-studied CV analogs. A state preparation scheme for the spin GKP codes is proposed which uses the linear-combination-of-unitaries method, applicable to both the CV and spin GKP settings. Finally, we discuss a fault-tolerant approximate gate set for quantum computing with spin-GKP-encoded qubits, obtained by translating gates from the CV GKP setting using the quantum central limit theorem.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Multiwell Fiber Optic Sensing Reveals Effects of CO2 Flow on Triggered Seismicity

Induced seismicity is one of the main risks for gigaton-scale geological storage of carbon dioxide (⁠CO 2 ⁠). Thus, passive seismic monitoring is often recommended as a necessary component of the monitoring systems for CO 2 storage projects, with a particular forcus on risk mitigation. We present the first field study, CO2CRC Otway Project Stage 3 (Victoria, Australia), where distributed acoustic sensing (DAS) enabled high-precision tracking of the induced seismicity triggered by a small CO 2 injection and also informed the reservoir models. In 610 days of passive seismic monitoring of the Stage 3 injection, we detected 17 microseismic events (maximum moment magnitude Mw 0.1) using five deep boreholes equipped with enhanced-sensitivity optical fiber. The DAS array has sensitivity sufficient for detection and location of induced events with M w ~ ₋2 in a monitoring borehole located up to 1500 m away. Thanks to the dense spatial sampling by the DAS, we were able to estimate the focal mechanisms for events with M w > ₋1.5; although the monitoring boreholes provided very limited angular coverage. The main cluster of the events has the same location and source mechanism as the one triggered by the previous CO 2 injection at the Otway Project site, Stage 2C. Surprizingly, the Stage 2C and Stage 3 events closely followed the actual movement of the CO 2 saturation plume front (not the pressure front), as observed using controlled-source reflection seismic images. The nature of the plume-fault interaction remains unclear, but some alteration of the fault gouge by CO 2 might be responsible for the faults’ reactivation by the pressure perturbation. Importantly, the seismogenic fault could not be identified in the seismic images and was only revealed by DAS observations, which also demonstrated the signature of fluid–rock interaction, that may control the CO 2 flow.

58 GEOSCIENCES↗
DOE OSTI2025

An accumulation method for early fault warning and its application to wind turbine systems

Unexpected failures in engineering systems lead to expensive maintenance actions and should be avoided if at all possible. This is particularly true for wind turbine systems for which unexpected failures not only demand costly repairs but also cause long downtime. Motivated by this need, we present an accumulation method for fault early warning and failure anticipation. Here, our research shows that one critical element allowing the ability of early warning is to accumulate the small-magnitude symptoms resulting from gradual changes in an engineering system like wind turbines. Our idea is inspired by the classical cumulative sum method, or CUSUM, but we have to redesign the accumulation mechanism for tackling unique challenges in wind turbine data. The new accumulation method is applied to two real wind turbine datasets, one with gearbox failures and the other with generator failures, and demonstrates superior performance as compared with CUSUM.

17 WIND ENERGY↗
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 OSTI2024

Empowering a qudit-based quantum processor by traversing the dual bosonic ladder

Abstract High-dimensional quantum information processing has emerged as a promising avenue to transcend hardware limitations and advance the frontiers of quantum technologies. Harnessing the untapped potential of the so-called qudits necessitates the development of quantum protocols beyond the established qubit methodologies. Here, we present a robust, hardware-efficient, and scalable approach for operating multidimensional solid-state systems using Raman-assisted two-photon interactions. We then utilize them to construct extensible multi-qubit operations, realize highly entangled multidimensional states including atomic squeezed states and Schrödinger cat states, and implement programmable entanglement distribution along a qudit array. Our work illuminates the quantum electrodynamics of strongly driven multi-qudit systems and provides the experimental foundation for the future development of high-dimensional quantum applications such as quantum sensing and fault-tolerant quantum computing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Heterogeneous Ice Growth in Micron-Sized Water Droplets Due to Spontaneous Freezing

Understanding how ice nucleates and grows into larger crystals is of crucial importance for many research fields. The purpose of this study was to shed light on the phase and structure of ice once a nucleus is formed inside a metastable water droplet. Wide-angle X-ray scattering (WAXS) was performed on micron-sized droplets evaporatively cooled to temperatures where homogeneous nucleation occurs. We found that for our weak hits ice grows more cubic compared to the strong hits that are completely hexagonal. Due to efficient heat removal caused by evaporation, we propose that the cubicity of ice at the vicinity of the droplet’s surface is higher than for ice formed within the bulk of the droplet. Moreover, the Bragg peaks were classified based on their geometrical shapes and positions in reciprocal space, which showed that ice grows heterogeneously with a significant population of peaks indicative of truncation rods and crystal defects. Frequent occurrences of the (100) reflection with extended in-planar structure suggested that large planar ice crystals form at the droplet surface, then fracture into smaller domains to accommodate to the curvature of the droplets. Planar faulting due to misaligned domains would explain the increased cubicity close to the droplet surface.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Molecular dynamics simulation of vacancy and void effects on strain-induced martensitic transformations in Fe-50 at.% Ni model concentrated solid solution alloy

Strain-induced martensitic transformations can improve the strength and ductility of some face centered cubic (FCC) metals and alloys. Irradiation-induced defects such as vacancies, dislocation loops, and voids activate martensitic transformations over a wider range of mechanical loading conditions than in pristine material. Furthermore, the mechanisms underlying irradiation-enabled martensite transformations remain unclear. In this work, we use molecular dynamics simulations to study the effect of vacancies and voids on strain-induced martensitic transformations in a model concentrated solid solution alloy Fe-50 at.% Ni. It has been found that single vacancies have no resolvable effect on the transformation because they reduce the stacking fault energy by a relatively insignificant margin and do so only if the vacancy is located on the stacking fault plane. Voids, however, activate the martensite transformation through shear strain accumulation around the void due to dislocation pileup. The larger the void, the more pronounced this effect.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Deformation Behaviors in Single BCC‐Phase Refractory Multi‐Principal Element Alloys under Dynamic Conditions

The mechanical behavior and microstructural evolution of a BCC-phase NbTaTiV refractory multi-principal element alloy (RMPEA) is studied over a wide range of strain rates (10 −3 to 10 3 s −1 ) and temperatures (room temperature to 850 °C). The mechanical property of present RMPEA shows less strain-rate dependence and strong resistance to softening at high temperatures. Under high strain-rate loading, the formation of thin type-I twins is observed, which could lead to an increase in strain-hardening rates. However, this hardening mechanism competes with adiabatic heating effects, resulting in the deterrence of strain-hardening behaviors. In contrast, substantial strain-hardening occurs at cryogenic temperatures due to the formation of twins, which act as stronger barriers to dislocation motion and interact with each other. To further understand the different strain-hardening behaviors, density functional theory (DFT) calculations predict relatively low stacking fault energies and high twinning stress for the NbTaTiV RMPEA.

36 MATERIALS SCIENCE↗