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At least 1,117 records · Page 62
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Microstructural Transitions during Powder Metallurgical Processing of Solute Stabilized Nanostructured Tungsten Alloys

Exploiting grain boundary engineering in the design of alloys for extreme environments provides a promising pathway for enhancing performance relative to coarse-grained counterparts. Due to its attractive properties as a plasma facing material for fusion devices, tungsten presents an opportunity to exploit this approach in addressing the significant materials challenges imposed by the fusion environment. Here, we employ a ternary alloy design approach for stabilizing W against recrystallization and grain growth while simultaneously enhancing its manufacturability through powder metallurgical processing. Mechanical alloying and grain refinement in W-10 at.% Ti-(10,20) at.% Cr alloys are accomplished through high-energy ball milling with transitions in the microstructure mapped as a function of milling time. We demonstrate the multi-modal nature of the resulting nanocrystalline grain structure and its stability up to 1300 °C with the coarser grain size population correlated to transitions in crystallographic texture that result from the preferred slip systems in BCC W. Field-assisted sintering is employed to consolidate the alloy powders into bulk samples, which, due to the deliberately designed compositional features, are shown to retain ultrafine grain structures despite the presence of minor carbides formed during sintering due to carbon impurities in the ball-milled powders.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Photonic circuits for laser stabilization with integrated ultra-high Q and Brillouin laser resonators

The integration of stabilized lasers, sources that generate spectrally pure light, will provide compact, low-cost solutions for applications including quantum information sciences, precision navigation and timing, metrology, and high-capacity fiber communications. We report a significant advancement in this field, demonstrating stabilization of an integrated waveguide Brillouin laser to an integrated waveguide reference cavity, where both resonators are fabricated using the same CMOS-compatible integration platform. We demonstrate reduction of the free running Brillouin laser linewidth to a 292 Hz integral linewidth and carrier stabilization to a 4.9 × 10 –13 fractional frequency at 8 ms reaching the cavity-intrinsic thermorefractive noise limit for frequencies down to 80 Hz. We achieve this level of performance using a pair of 56.4 x 10 6 quality factor Si 3 N 4 waveguide ring-resonators that reduce the high-frequency noise by the nonlinear Brillouin process and the low-frequency noise by Pound–Drever–Hall locking to the ultra-low loss resonator. These results represent an important step toward integrated stabilized lasers with reduced sensitivity to environmental disturbances for atomic, molecular, and optical physics (AMO), quantum information processing and sensing, and other precision scientific, sensing, and communications applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Frictional properties of Opalinus Clay: influence of humidity, normal stress and grain size on frictional stability

SUMMARY The Opalinus Clay (OPA) is a clay-rich formation considered as a potential host rock for radioactive waste repositories and as a caprock for carbon storage in Switzerland. Its very low permeability (10−19 to 10−21 m2) makes it a potential sealing horizon, however the presence of faults that may be activated during the lifetime of a repository project can compromise the long-term hydrological confinement, and lead to mechanical instability. Here, we have performed laboratory experiments to test the effect of relative humidity (RH), grain size (g.s.) and normal stress on rate-and-state frictional properties and stability of fault laboratory analogues corresponding to powders of OPA shaly facies. The sifted host rock powders at different grain size fractions (<63 μm and 63 < g.s. < 125 μm), at room (∼25 per cent) and 100 per cent humidity, were slid in double-direct shear configuration, under different normal stresses (5–70 MPa). We observe that peak friction, μpeak and steady-state friction, μss, depend on water vapour content and applied normal stress. Increasing relative humidity from ∼25 per cent RH (room humidity) to 100 per cent RH causes a decrease of frictional coefficient from 0.41 to 0.35. The analysis of velocity-steps in the light of rate-and-state friction framework shows that the stability parameter (a–b) is always positive (velocity-strengthening), and it increases with increasing sliding velocity and humidity. The dependence of (a–b) on slip rate is lost as normal stress increases, for each humidity condition. By monitoring the variations of the layer thickness during the velocity steps, we observe that dilation (Δh) is directly proportional to the sliding velocity, decreases with normal stress and is unaffected by humidity. Microstructural analysis shows that most of the deformation is accommodated within B-shear zones, and the increase of normal stress (σn) promotes the transition from strain localization and grain size reduction to distributed deformation on a well-developed phyllosilicate network. These results suggest that: (1) the progressive loss of velocity dependence of frictional stability parameter (a–b) at σn > 35 MPa is dictated by a transition from localized to distributed deformation and (2) water vapour content does not affect the deformation mechanisms and dilation, whereas it decreases steady-state friction (μss), and enhances fault stability.

58 GEOSCIENCES↗
DOE OSTI2022

Examination of stiff ion temperature gradient mode physics in simulations of DIII-D H-mode transport

A systematic evaluation of gyrokinetic and gyrofluid model predictions of ion temperature gradient (ITG) stability and transport using parameters from DIII-D high confinement mode (H-mode) plasmas has been performed. The nonlinear CGYRO code is used to make the gyrokinetic predictions, and the quasilinear TGLF model for the corresponding gyrofluid predictions. The assessments are made at three radii (normalized toroidal flux ρtor = 0.4, 0.55, and 0.7) in three different plasma scenarios with varying levels of neutral beam heating and torque. For each of the nine cases (3 radii × 3 scenarios) considered, ITG turbulence is found to be the dominant long-wavelength instability and transport mechanism. The inclusions of both transverse magnetic fluctuations and dynamic fast beam ions are stabilizing for all cases considered, with strongest effects seen at ρor = 0.4 where the fast ion population and normalized plasma pressure β = 2μ0nT/B2 are highest. The further inclusion of parallel magnetic fluctuations does not have a meaningful impact on the ITG turbulence in these scenarios, but does destabilize (in combination with fast ions) new high-frequency instabilities at ρtor = 0.4 in the high power scenarios. In each case the linear and nonlinear ITG critical gradients are predicted to be lower than the measured ITG scale lengths and their associated uncertainties. Inclusion of equilibrium flow shear in the transport predictions generally leads to an upshift in effective critical gradient rather than a qualitative change in the predicted stiffness, with stronger responses typically seen in the gyrokinetic predictions than in the gyrofluid results. However, in most cases these upshifted gradients still remain below the measured values and their uncertainties. Although the predicted critical gradients are below the measured gradients, both models predicted flux-matching gradients consistent with measured values in six of the nine cases considered, with no clear systematic over- or underprediction. Thus, while the experimental ion temperature profiles do not appear to be closely pinned to the ITG critical gradient, both gyrokinetic and gyrofluid models are able to accurately match the measured gradients reasonably well in most cases.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

R -mode Stability of GW190814's Secondary Component as a Supermassive and Superfast Pulsar

The nature of GW190814's secondary component m 2 of mass (2.50–2.67)M ⊙ in the mass gap between the currently known maximum mass of neutron stars and the minimum mass of black holes is currently under hot debate. Among the many possibilities proposed in the literature, the m 2 was suggested as a superfast pulsar while its r-mode stability against the run-away gravitational radiation through the Chandrasekhar-Friedman-Schutz mechanism is still unknown. Previously, Fortin et al. constructed a sample of 33 unified equations of state using the same nuclear interactions from the crust to the core consistently; from that sample we use those equations that fulfill all currently known astrophysical and nuclear physics constraints to compare the minimum frequency required for m 2 to rotationally sustain a mass greater than 2.50 M ⊙ with the critical frequency above which the r-mode instability occurs. Here, we use two extreme damping models assuming that the crust is either perfectly rigid or elastic. Using the stability of 19 observed low-mass X-ray binaries as an indication that the rigid crust damping of the r-mode dominates within the models studied, we find that m 2 is r-mode-stable while rotating with a frequency higher than 870.2 Hz (0.744 times its Kepler frequency of 1169.6 Hz) as long as its temperature is lower than about 3.9 × 10 7 K, further supporting the proposal that GW190814's secondary component is a supermassive and superfast pulsar.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Deglaciation of the Greenland and Laurentide ice sheets interrupted by glacier advance during abrupt coolings

Understanding patterns of ice-sheet deglaciation is key for predicting the rate of future ice-sheet melt, yet the processes underlying deglaciation remain elusive. The early Holocene (11.7 ka to 8.2 ka; Greenlandian Stage) represents the most recent period when the Laurentide and Greenland ice sheets underwent large-scale recession. Moreover, this ice-sheet recession occurred under the backdrop of regional temperatures that were similar to or warmer than today, and comparable to those projected for the upcoming centuries. Reconstructing Laurentide and Greenland ice sheet behavior during the early Holocene, and elucidating the mechanisms dictating this behavior may serve as a partial analog for future Greenland ice-sheet change in a warming world. Here, we present 123 new 10 Be surface exposure ages from two sites on Baffin Island and southwestern Greenland that constrain the behavior of the Laurentide and Greenland ice sheets, and an independent alpine glacier during the early Holocene. On Baffin Island, we focus on a unique area where moraines deposited by the Laurentide Ice Sheet rest directly adjacent to moraines deposited by an independent alpine glacier. Sixty-one 10 Be ages reveal that advances and/or stillstands of the Laurentide Ice Sheet and an alpine glacier occurred in unison around 11.8 ka, 10.3 ka, and 9.2 ka. Sixty-two 10 Be ages from southwestern Greenland indicate that the Greenland Ice Sheet margin experienced re-advances or stillstands around 11.6 ka, 10.4 ka, 9.1 ka, 8.1 ka, and 7.3 ka. Our results reveal that ice sheets respond to climate perturbations on the same centennial timescale as small alpine glaciers. Further, we hypothesize that during the warming climate of the early Holocene, freshening of the North Atlantic Ocean induced by ice-sheet melt resulted in regional cooling and brief periods of ice-sheet stabilization superimposed on net glacier recession. These observations point to a negative feedback mechanism inherent to melting ice sheets in the Baffin Bay region that slows ice-sheet recession during intervals of otherwise rapid deglaciation.

58 GEOSCIENCES↗
DOE OSTI2026

Ultra-Low Amounts of Transition Metals in Carbon-Based Catalysts Improve Their Alkaline OER Performance: A Systematic Study

The pursuit of green hydrogen production highlights a persistent gap in electrocatalyst research: while academic efforts prioritize cost-efficiency via activity enhancement, industrial viability demands greater emphasis on electrochemical stability. Carbon-based electrocatalysts, particularly those incorporating transition metals, have shown promise in alkaline oxygen evolution (OER) due to their high activity, cost-efficiency, and resource-efficiency. However, these catalysts suffer from insufficient stability under oxidizing conditions compared to pure transition metal catalysts due to erosion of the carbon support resulting from carbon corrosion, among other degradation mechanisms. In this systematic study, the influence of ultra-low amounts (<1 wt %) of iron, cobalt, nickel, and their most common combinations on the stability of a hydrothermally derived, N-doped carbon support and the overall catalyst performance during alkaline OER is systematically explored. By identifying critical stability descriptors and correlating them with synthesis conditions and catalyst properties, primary and secondary corrosion pathways are unraveled. Subsequently, through careful adjustment of carbonization temperature and composition of incorporated transition metals, overall catalyst corrosion can be suppressed immensely. Especially, the inclusion of Ni and Fe is paramount for the formation of stable catalyst materials under laboratory conditions (10 mA/cm 2 in 0.1 M KOH), which is surprisingly unconstrained by the degree of graphitization of the carbon support. Mixing this electrochemically stable material with a graphitic carbon powder results in an excellent stability of over 400 h at 100 mA/cm 2 in 1 M KOH, implying great potential for the future improvement of carbon-based electrodes under oxidizing conditions toward industrial application.

N-doped carbon↗
DOE OSTI2024

Advanced thermal/environmental barrier coatings of high-entropy rare earth disilicates tuned by strong anharmonicity of Eu 2 Si 2 O 7

Advancing thermal/environmental barrier coating (TEBC) materials with integrated thermal-mechanical functions is paramount for safeguarding SiC-based ceramic matrix composites (CMCs) in high-efficiency gas turbines. Herein, we employ a synergistic approach, combining density functional theory (DFT) methods and combinatorial chemistry techniques, to design high-performance and low-cost RE 2 Si 2 O 7 (RE = rare earth elements) TEBC materials tailored for enhanced compatibility with SiC-based CMCs. Expanding on phase stability of alloying pure RE 2 Si 2 O 7 , the investigation extends to the mechanical and thermal properties of solid solution systems, including Er 1/2 Y 3/4 Yb 3/4 Si 2 O 7 , Gd 1/4 Er 1/4 Y 3/4 Yb 3/4 Si 2 O 7 , and Eu 1/4 Er 1/4 Y 3/4 Yb 3/4 Si 2 O 7 . The solid solution systems exhibit a major reduction in lattice thermal conductivity relative to their pure counterparts, achieving ultralow values of 0.25 to 0.39 W m −1 K −1 at 1500 K. Furthermore, the coefficients of thermal expansion (CTE) of these solid solutions are precisely tuned within the desired range for SiC (4.4 to 5.5 × 10 −6 K −1 ), while maintaining good mechanical properties. Here, in particular, the addition of Eu 2 Si 2 O 7 demonstrates to be an important variable to the tuning of CTE and lattice thermal conductivity by leveraging its strong anharmonicity, presenting a pioneering avenue for fine-tuning material properties. In summary, this research not only identifies promising TEBC materials with superior thermal properties, but also introduces a valuable computational material design methodology for the rapid discovery of complex materials for harsh environments.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Barrier reinforcement for enhanced perovskite solar cell stability under reverse bias

Stability of perovskite solar cells (PSCs) under light, heat, humidity and their combinations have been notably improved recently. However, PSCs have poor reverse-bias stability that limits their real-world application. Here we report a systematic study on the degradation mechanisms of p-i-n structure PSCs under reverse bias. The oxidation of iodide by injected holes at the cathode side initialize the reverse-bias-induced degradation, then the generated neutral iodine oxidizes metal electrode such as copper, followed by drift of Cu+ into perovskites and its reduction by injected electrons, resulting in localized metallic filaments and thus device breakdown. A reinforced barrier with combined lithium fluoride, tin oxide and indium tin oxide at the cathode side reduces device dark current and avoids the corrosion of Cu0. It dramatically increases breakdown voltage to above -20 V and improved the T90 lifetime of PSCs to ~1,000 h under -1.6 V. The modified minimodule also maintained over 90% of its initial performance after 720 h of shadow tests.

degradation mechanisms↗
DOE OSTI2021

Understanding cation-disordered rocksalt oxyfluoride cathodes

Partial fluorine (F) substitution into the oxygen (O) sublattice has been shown to improve cycling stability of cation-disordered Li-excess rocksalt oxide (DRX) cathodes. Detailed understanding on failure mechanisms and key optimization knowledge of fluorinated-DRX (F-DRX), however, are lacking. In the present study, we incorporate different amounts of F into a baseline DRX system, Li 1.2 Ti 0.4 Mn 0.4 O 2 (LTMO3.0, 3.0 denotes nominal Li/Mn ratio), and synthesize two oxyfluoride compounds, Li-rich Li 1.3 Ti 0.3 Mn 0.4 O 1.7 F 0.3 (LTMOF3.25) and Mn-rich Li 1.2 Ti 0.2 Mn 0.6 O 1.8 F 0.2 (LTMOF2.0) with an increased and reduced Li/Mn ratio of 3.25 and 2.0, respectively. Through careful monitoring of chemical and structural evolution, we show that cycling-induced changes are manifested not only by Mn reduction and degradation of its local coordination environment, but also by F enrichment and formation of LiF-type of domains on the surface. A “concerted-densification” based failure mechanism, involving atomic-level changes in both transition-metal cationic sublattice and oxygen/fluorine anionic sublattice, is proposed for the degradation in F-DRX cathode materials. The study reveals that increasing F content accompanied by reduced Li/Mn ratio mitigates the degradation process, offering key design strategies in achieving balanced cathode capacity and stability.

25 ENERGY STORAGE↗
DOE OSTI2022

Physics-informed Bayesian machine learning case study: Integral blade rotors

This paper provides a physics-informed Bayesian machine learning (PIBML) description and case study. The PIBML approach applies three physics-based models to establish the initial beliefs before testing to determine the probability of milling stability (or prior). These include: receptance coupling substructure analysis (RCSA) prediction for the tool tip frequency response functions; finite element software prediction of the mechanistic force model coefficients; and a spindle speed-dependent power law model for process damping. Testing was then performed to identify optimal stable machining conditions using an expected improvement in material removal rate criterion. The prior probability of stability was updated using the test results to determine the posterior probability of stability. The test results were compared to the parameter recommendations provided by the endmill manufacturer. A demonstration integral blade rotor was machined at the optimal stable machining conditions for 304 stainless steel and 6061-T6 aluminum. Finally, the disagreement between manufacturer recommendations and milling performance in both materials tested emphasizes the need for broad implementation of PIBML approaches to increase machining productivity and efficiency.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Waveform-dependent air fluorescence from neutral and ionic nitrogen molecules

Laser-induced air fluorescence in the ultraviolet regime is primarily attributed to transitions between the C and B states in excited neutral N 2 molecules and between the B and X states in N$^+_2$ ions. However, the mechanism underlying the former remains contentious, as direct population to the C state by light fields is forbidden by electron spin constraints. In this work, we investigate the mechanism of air fluorescence from excited neutral N 2 molecules by carrier-envelope phase–stabilized sub–4 femtosecond pulses. Our results show that fluorescence from N$^+_2$ ions reaches a maximum with cosine-like pulses, while fluorescence from excited neutral N 2 molecules peaks with sine-like pulses. In addition, by scanning the chirp of the driving pulse, we find that ionic fluorescence is maximized with chirp-free pulses, whereas neutral fluorescence favors negatively chirped pulses. These observations, supported by classical trajectory Monte Carlo simulations, support the mechanism of intersystem crossing from excited spin-singlet states, which are populated via recollision-induced strong-field excitation.

Science & Technology - Other Topics↗
DOE OSTI2022

Medium controlled aggregative growth as a key step in mesoporous silica nanoparticle formation

Near monodisperse mesoporous silica nanoparticles (MSN) represent a promising and rapidly developing type of mesoporous silica materials; however, the vast data on their synthesis remains unorganized and ill-understood. We systematically studied the formation of MSN under basic and neutral conditions using various temperatures, CTAB concentrations, hydrolyzing agents (triethanolamine, ammonia, phosphate buffers), and media with different colloidal stabilization properties (with ethanol as a cosolvent and monovalent salts). In the typical conditions for the preparation of stable MSN colloids, the particle size was controlled by colloidal stabilization by the medium (solvent type, ionic strength, and surfactant concentration) in agreement with the “aggregative growth” mechanism, rather than by solely the hydrolysis and condensation rates conventionally used for data interpretation in the classical nucleation theory. Medium properties (pH, ion types and concentration, polarity) also defined the efficiency of silica-surfactant cooperative self-assembly, which directly affected the porosity, mesopore size and pore wall thickness. Interestingly, this traditional silica-surfactant route showed a limited effect on the particle size, emphasizing the dominating role of colloidal stabilization in the studied reaction conditions. In situ pH measurements showed that every reaction medium has unique pH evolution profiles depending on the buffer capacity, hydrolysis and condensation rates. Reaction systems that fail to maintain the working pH can lead to non-porous products or undesired particle morphology and size distribution. The established particle formation mechanism allowed us to formulate comprehensive guidelines for preparing relatively concentrated colloids of near monodisperse (PDI 5–15%) mesoporous 30–700 nm silica spheres with variable porosity and mesopore size. Here, these findings will be particularly useful in designing new mesoporous silica-containing materials for biomedical applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Comparative Small-Signal Stability Analysis of Grid-Forming and Grid-Following Inverters in Low-Inertia Power Systems: Preprint

Inverter-based resources (IBRs) are gradually replacing conventional fossil energy in modern power systems, which could make the system susceptible due to insufficient inertia, especially when moving towards a 100% inverter-based power grid. Grid-forming (GFM) and grid-following (GFL) controls are two common inverter control algorithms. However, the corresponding stability issues along with a comparative study on low-inertia power systems should still be investigated. This paper focuses on small-signal stability and conducts a comprehensive analysis of GFM and GFL controls, with emphases on the interactions between synchronous generators and IBRs. The detailed modeling of GFM and GFL inverters, and synchronous generators (SGs) are established. The coupling mechanism of IBRs and SGs is then conducted through participation factor analysis. The impacts of critical parameters on system stability are finally identified. The theoretical analyses are validated through time-domain simulation in MATLAB/Simulink.

grid-following↗
DOE OSTI2025

Identifying the Role of Magnesium Content in Assessing the Electrochemical Performance of (CoCuMgNiZn)O

High-entropy oxides (HEOs) featuring 5 or more metals in approximately equimolar ratios, such as the prototypical rock-salt-structured (CoCuMgNiZn)O, have attracted interest for their potential to display material properties superior to oxides with combinations of 4 or fewer of the component metals. In particular, (CoCuMgNiZn)O has shown promise as an anode for lithium-ion batteries with a high specific capacity retention over extended cycling. Previous studies have suggested that magnesium, despite being electrochemically inert, provides a crucial contribution to the favorable performance of this HEO by stabilizing the crystal structure through repeated charge–discharge cycles. This paper probes the extent and mechanism of the magnesium effect by using a facile microwave-assisted hydrothermal synthesis method to vary the level of Mg content. Moreover, we extensively characterized the product with techniques such as 4D-STEM and ICP-OES, which have not previously been applied in combination with this material, in order to elucidate the relationships among chemical composition, nanostructure, and performance. Here, we show that the level of Mg incorporation is positively correlated with long-term stability and negatively correlated with rate capacity, and that the latter effect yields a stronger influence upon the overall performance, with the best-performing sample possessing a Mg quantity equivalent to ∼1/5 that of an equimolar concentration. This finding demonstrates not only that the variation of individual elemental levels offers a promising and relatively unexplored avenue to optimize the electrochemical performance of HEO materials but also that it should not be assumed that equimolar compositions of constituent elements are necessarily the best.

36 MATERIALS SCIENCE↗
DOE OSTI2022

The stability of expanding reactive shocks in a van der Waals fluid

Despite the extensive literature accumulated since the pioneering works of D'yakov and Kontorovich in the 1950s, the stability of steady shocks is still an open question when realistic boundary conditions are accounted. The consideration of a supporting mechanism, which is indeed a necessary condition for shock steadiness, modifies the perturbation shock dynamics in the unstable range. The Noh problem is a suitable example to form steady expanding shocks. This configuration is of great interest to the high-energy-density-physics community because of its direct application to inertial confinement fusion and astrophysics, for which the stagnation of a supersonically converging material via an accretion shock front is ubiquitous. Here in this work, we extend the generalized Noh problem, both base-flow solution and linear stability analysis, to conditions where endothermic or exothermic transformations undergo across the shock. Within the spontaneous acoustic emission conditions found for a van der Waals gas, we find that cylindrical and spherical expanding shocks become literally unstable for sufficiently high mode numbers. Counterintuitively, the effect of exothermicity or endothermicity across the shock is found to be stabilizing or destabilizing, respectively.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗