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At least 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Order-parameter evolution in the Fulde-Ferrell-Larkin-Ovchinnikov phase

Here, we report on the temperature dependence of the spatially modulated spin-polarization amplitude ΔK spin , which is a hallmark of the superconducting Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) state. For that, we use 13 C nuclear magnetic resonance (NMR) spectroscopy performed on the organic conductor β" -(ET) 2 SF 5 CH 2 CF 2 SO 3 . From a comparison of our experimental results to a comprehensive modeling of the 13 C NMR spectra, we determine the evolution of ΔK spin upon condensation of the FFLO state. Further, the modeling of the spectra in the superconducting phase allows to quantify the decrease of the average spin susceptibility, stemming from the spin-singlet coupling of the superconducting electron pairs in the FFLO state of β" -(ET) 2 SF 5 CH 2 CF 2 SO 3 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1984

The evolution of cataclysmic and low-mass X-ray binaries

The observational data for the 124 cataclysmic and low-mass X-ray binaries of known orbital period are compiled. It is found that the eruption properties are very well correlated with the orbital periods, in a manner that suggests that the mass transfer is the all-important determinant of evolution and of the eruptive behavior. Transfer rates of 10 to the -11th to 10 to the -7th solar mass/year are found, which are well correlated with orbital period. It is concluded that the mechanism which drives these systems is the magnetic braking of the secondary's rotation by its own stellar wind, coupled with the enforcement of synchronous rotation by tidal friction. This permits CVs to lose sufficient angular momentum to begin mass transfer in a reasonable time and drives the mass transfer at a high rate once it begins. An account of the long-lived phases of CV evolution is given.

Patterson, J.↗
NASA NTRS2022

Evolution of X-Ray Activity in <25 Myr Old Pre-main Sequence Stars

Measuring the evolution of X-ray emission from pre-main-sequence (PMS) stars gives insight into two issues: the response of magnetic dynamo processes to changes in the interior structure, and the effects of high-energy radiation on protoplanetary disks and primordial planetary atmospheres. We present a sample of 6003 stars with ages 7–25 Myr in 10 nearby open clusters from Chandra X-ray and Gaia-EDR3 surveys. Combined with previous results in large samples of younger (≲5 Myr) stars in MYStIX and SFiNCs star-forming regions, mass-stratified activity-age relations are derived for the early phases of stellar evolution. X-ray luminosity (LX) is constant during the first few Myr, possibly due to the presence of extended X-ray coronas insensitive to temporal changes in stellar size. LX then decays during the 7–25 Myr period, more rapidly as stellar mass increases. This decay is interpreted as decreasing efficiency of the α2 dynamo as radiative cores grow and a solar-type αΩ dynamo emerges. For more massive 3.5–7 M⊙ fully radiative stars, the X-ray emission plummets—indicating the lack of an effective magnetic dynamo. The findings provide improved measurements of high-energy radiation effects on circumstellar material, first for the protoplanetary disk and then for the atmospheres of young planets. The observed X-ray luminosities can be so high that an inner Earth-mass rocky, unmagnetized planet around a solar-mass PMS star might lose its primary and secondary atmospheres within a few (several) million years. PMS X-ray emission may thus have a significant impact on the evolution of early-planetary atmospheres and the conditions promoting the rise of habitability.

Konstantin V Getman↗
DOE OSTI2024

Phase-Field Modeling of Thermally-Grown Oxide and the Induced Damage Evolution in Environmental Barrier Coatings

The advent of next-generation hydrogen-based engines necessitates materials capable of withstanding temperatures beyond the reach of current superalloys. SiC-based ceramic matrix composites, augmented with environmental barrier coatings (EBCs), present a promising materials solution. Given the active search for effective and durable EBCs, there is a pressing need for modeling tools to understand and predict damage evolution in these materials to help accelerate their development. This study introduces a phase-field model (PFM) designed to simulate the critical role of thermally grown oxides (TGO) in the degradation and failure of EBCs. The model accounts for the severe volume expansion due to oxidation, alongside phase transformations and microstructural evolution during thermal cycling, offering a comprehensive view of the damage processes. Simulation results are validated against experimental findings reported in the literature, establishing the model's potential as a significant tool for understanding and improving the resilience of EBCs in cyclic oxidative environments.

Cheng, Tianle↗
DOE OSTI2024

Understanding the High-Temperature Deformation Behaviors in Additively Manufactured Al6061+TiC Composites via In Situ Neutron Diffraction

Aluminum matrix composites (AMCs) are designed to enhance the performance of conventional aluminum alloys for engineering applications at both room and elevated temperatures. However, the dynamic phase-specific deformation behavior and load-sharing mechanisms of AMCs at elevated temperatures have not been extensively studied and remain unclear. Here, in situ neutron diffraction experiments are employed to reveal the phase-specific structure evolution of additively manufactured Al6061+TiC composites under compressive loading at 250 °C. It is found that the addition of a small amount of nano-size TiC significantly alters the deformation behavior and increases the strength at 250 °C in comparison to the as-printed Al6061. Unlike the two-stage behavior observed in Al6061, the Al6061+TiC composites exhibit three stages during compression triggered by changes in the interphase stress states. Further analysis of Bragg peak intensity and broadening reveals that the presence of TiC alters the dislocation activity during deformation at 250 °C by influencing dislocation slip planes and promoting dislocation accumulation. These findings provide direct experimental observations of the phase-specific dynamic process in AMCs under deformation at an elevated temperature. The revealed mechanisms provide insights for the future design and optimization of high-performance AMCs.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Surrogate Model Integration with MOOSE XFEM for Creep Crack Growth

Ferritic-martensitic steels are key structural materials for advanced reactors but experience time-dependent deformation and damage under prolonged high temperature and irradiation, leading to creep-driven crack initiation and growth. High-fidelity models—crystal plasticity with irradiation mechanisms, phase-field for microstructural evolution, and continuum-damage viscoplasticity—capture the underlying physics but are too computationally intensive for broad design-space exploration and uncertainty quantification. This milestone advances a scalable alternative by integrating a microstructure-sensitive surrogate creep model into the Multiphysics Object-Oriented Simulation Environment (MOOSE) finite element framework and extending it to fracture via the extended finite element method (XFEM). The surrogate model, developed with collaborators at Sandia and Los Alamos National Laboratories, maps relevant microstructural descriptors to the viscoplastic response of HT9. We embed this surrogate within a coupled deformation-damage workflow in MOOSE/XFEM to simulate creep-driven crack initiation and propagation. Implementation enhancements include updates to the material interface, a plastic correction phase involving microstructure evolution, and fracture criteria to ensure numerical robustness and compatibility with the surrogate structure. Demonstrations on canonical creep benchmarks spanning uniaxial and multiaxial states show that the surrogate reproduces key trends of high-fidelity models while substantially reducing computational cost. The resulting capability bridges physics fidelity and performance, providing a practical path to a predictive, microstructure-aware assessment of creep and fracture in reactor materials.

36 - MATERIALS SCIENCE↗
NASA NTRS1996

Ring Current Development During Storm Main Phase

The development of the ring current ions in the inner magnetosphere during the main phase of a magnetic storm is studied. The temporal and spatial evolution of the ion phase space densities in a dipole field are calculated using a three dimensional ring current model, considering charge exchange and Coulomb losses along drift paths. The simulation starts with a quiet time distribution. The model is tested by comparing calculated ion fluxes with Active Magnetospheric Particle Tracer Explorers/CCE measurement during the storm main phase on May 2, 1986. Most of the calculated omnidirectional fluxes are in good agreement with the data except on the dayside inner edge (L less than 2.5) of the ring current, where the ion fluxes are underestimated. The model also reproduces the measured pitch angle distributions of ions with energies below 10 keV. At higher energy, an additional diffusion in pitch angle is necessary in order to fit the data. The role of the induced electric field on the ring current dynamics is also examined by simulating a series of substorm activities represented by stretching and collapsing the magnetic field lines. In response to the impulsively changing fields, the calculated ion energy content fluctuates about a mean value that grows steadily with the enhanced quiescent field.

Fok, Mei-Ching↗
DOE OSTI2021

Unveiling the mechanism of phase and morphology selections during the devitrification of Al-Sm amorphous ribbon

The complex interplay between energetic and kinetic factors that governs the phase and morphology selections can originate at the earliest stage of crystallization in the amorphous parent phases. Because of the extreme difficulties in capturing the microscopic nucleation process, a detailed picture of how initial disordered structures affect the transformation pathway remains unclear. Here, we report the experimental observation of widely varying phase selection and grain size evolution during the devitrification of a homogeneous melt-spun glassy ribbon. Two different crystalline phases, θ-Al 5 Sm and ε-Al 60 Sm 11 , are found to form in the different regions of the same metallic glass ribbon during the devitrification. The grain size of ε-Al 60 Sm 11 phase shows a strong spatial heterogeneity. Coarse-grained ε-Al 60 Sm 11 phase coupled with the small volume fraction of θ-Al 5 Sm phase is preferably formed close to wheel side of the melt-spun ribbon. Combining experimental characterization and computational simulations, we show that phase selection and microstructure evolution can be traced back to different types and populations of atomic clusters that serve as precursors for the nucleation of different crystalline phases. Inhomogeneous cooling rates cause different structure orders across the glass sample during the quenching process. Our findings provide direct insight into the effect of structural order on the crystallization pathways during the devitrification of metallic glass. It also opens an avenue to study the detailed nucleation process at the atomic level using the metallic glass as a platform and suggests the opportunity of microstructure and property design via controlling the cooling process.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1995

The 11 Micron Emissions of Carbon Stars

A new classification scheme of the IRAS LRS carbon stars is presented. It comprises the separation of 718 probable carbon stars into 12 distinct self-similar spectral groupings. Continuum temperatures are assigned and range from 470 to 5000 K. Three distinct dust species are identifiable: SiC, alpha:C-H, and MgS. In addition to the narrow 11 + micron emission feature that is commonly attributed to SiC, a broad 11 + micron emission feature, that is correlated with the 8.5 and 7.7 micron features, is found and attributed to alpha:C-H. SiC and alpha:C-H band strengths are found to correlate with the temperature progression among the Classes. We find a spectral sequence of Classes that reflects the carbon star evolutionary sequence of spectral types, or alternatively developmental sequences of grain condensation in carbon-rich circumstellar shells. If decreasing temperature corresponds to increasing evolution, then decreasing temperature corresponds to increasing C/O resulting in increasing amounts of carbon rich dust, namely alpha:C-H. If decreasing the temperature corresponds to a grain condensation sequence, then heterogeneous, or induced nucleation scenarios are supported. SiC grains precede alpha:C-H and form the nuclei for the condensation of the latter material. At still lower temperatures, MgS appears to be quite prevalent. No 11.3 micron PAH features are identified in any of the 718 carbon stars. However, one of the coldest objects, IRAS 15048-5702, and a few others, displays an 11.9 micron emission feature characteristic of laboratory samples of coronene. That feature corresponds to the C-H out of plane deformation mode of aromatic hydrocarbon. This band indicates the presence of unsaturated, sp(sup 3), hydrocarbon bonds that may subsequently evolve into saturated bonds, sp(sup 2), if, and when, the star enters the planetary nebulae phase of stellar evolution. The effusion of hydrogen from the hydrocarbon grain results in the evolution in wavelength of this 11.9 micron emission feature to the 11.3 micron feature.

Goebel, J. H.↗
NASA NTRS1995

The 11 Micron Emissions of Cabon Stars

A new classification scheme of the IRAS LRS carbon stars is presented. It comprises the separation of 718 probable carbon stars into 12 distinct self-similar spectral groupings. Continuum temperatures are assigned and range from 470 to 5000 K. Three distinct dust species are identifiable: SiC, alpha:C-H, and MgS. In addition to the narrow 11 + micron emission feature that is commonly attributed to SiC, a broad 11 + micron emission feature, that is correlated with the 8.5 and 7.7 micron features, is found and attributed to alpha:C-H. SiC and alpha:C-H band strengths are found to correlate with the temperature progression among the Classes. We find a spectral sequence of Classes that reflects the carbon star evolutionary sequence of spectral types, or alternatively developmental sequences of grain condensation in carbon-rich circumstellar shells. If decreasing temperature corresponds to increasing evolution, then decreasing temperature corresponds to increasing CIO resulting in increasing amounts of carbon rich dust, namely alpha:C-H. If decreasing the temperature corresponds to a grain condensation sequence, then heterogeneous, or induced nucleation scenarios are supported. SiC grains precede alpha:C-H and form the nuclei for the condensation of the latter material. At still lower temperatures, MgS appears to be quite prevalent. No 11.3 micron PAH features are identified in any of the 718 carbon stars. However, one of the coldest objects, IRAS 15048-5702, and a few others, displays an 11.9 micron emission feature characteristic of laboratory samples of coronene. That feature corresponds to the C-H out of plane deformation mode of aromatic hydrocarbon. This band indicates the presence of unsaturated, sp(sup 3), hydrocarbon bonds that may subsequently evolve into saturated bonds, sp(sup 2), if, and when, the star enters the planetary nebulae phase of stellar evolution. The effusion of hydrogen from the hydrocarbon grain results in the evolution in wavelength of this 11.9 micron emission feature to the 11.3 micron feature.

Goebel, J. H.↗
NASA NTRS1993

The stratopause semiannual oscillation in the NCAR Community Climate Model

The middle atmospheric version of the NCAR Community Climate Model (CCM2) has been used to study the development of the equatorial semiannual oscillation (SAO) in the stratosphere. The model domain extends from the ground to about 80 km, with a vertical resolution of 1 km. Transport of nitrous oxide (N2O) with simplified photochemistry is included in the calculation to illustrate the influence of tropical circulations on the distribution of trace species. Diagnosis of model output reveals two distinct phases in the evolution of the zonal mean state on the equator. In early December, a strong and broad easterly jet appears near the stratopause in connection with a midlatitude wave event (sudden stratospheric warming) that reverses the winter westerlies of the Northern Hemisphere throughout the upper stratosphere. When the wave forcing dies out, the radiative drive allows the westerlies to recover at midlatitudes, while easterlies persist in the tropics. The resulting strong meridional gradient of the zonal mean wind provides favorable conditions for the development of inertial instability at lower latitudes. The meridional circulation associated with the instability shapes the 'nose' of the easterly jet, reducing the extension of the unstable region. In equinoctial conditions, a jet of westerlies appears in the lower equatorial mesosphere and descends to lower altitudes; positive accelerations associated with the descending westerlies are due primarily to Kelvin waves. The descent of the westerly jet does not reproduce well the observed behavior of the SAO westerly phase, either in amplitude or in the extent of downward propagation. As a consequence, the model does not simulate the 'double peak' observed in the tropical distribution of N2O. Comparison of wave amplitudes in the model with those derived from satellite observations shows that the calculated amplitudes are larger than observed in the upper stratosphere. It follows that inadequate Kelvin wave forcing is not the cause of the weak westerly phase in the model, and that some other mechanism must be responsible for the generation of the strong westerly phase observed.

Sassi, Fabrizio↗
NASA NTRS1990

Mars observer - Orbital evolution, accuracy and control

The orbital phase and the major factors controlling the Mars Observer orbital evolution and accuracy are studied. Particular attention is given to the gravity field and atmospheric density. It is found that gravity field errors are reduced by the implementation of a gravity calibration period. A typical set of ground tracks corresponding to the optional mapping orbit definition is given.

Esposito, Pasquale B.↗
NASA NTRS2013

ALMA Observations of the Molecular Gas in the Debris Disk of the 30 Myr Old Star HD 21997

The 30 Myr old A3-type star HD 21997 is one of the two known debris dust disks having a measurable amount of cold molecular gas. With the goal of understanding the physical state, origin, and evolution of the gas in young debris disks, we obtained CO line observations with the Atacama Large Millimeter/submillimeter Array (ALMA). Here, we report on the detection of (12)CO and (13)CO in the J = 2-1 and J = 3-2 transitions and C(18)O in the J = 2-1 line. The gas exhibits a Keplerian velocity curve, one of the few direct measurements of Keplerian rotation in young debris disks. The measured CO brightness distribution could be reproduced by a simple star+disk system, whose parameters are r(sub in) < 26 AU, r(sub out) = 138 +/- 20 AU, Stellar M = 1.8 +0.5/−0.2 Solar M, and i = 32. Deg. 6 +/- 3 deg..1. The total CO mass, as calculated from the optically thin C(18)O line, is about (4-8) ×10(exp −2 ) Solar M, while the CO line ratios suggest a radiation temperature on the order of 6-9 K. Comparing our results with those obtained for the dust component of the HD 21997 disk from ALMA continuum observations by Moor et al., we conclude that comparable amounts of CO gas and dust are present in the disk. Interestingly, the gas and dust in the HD 21997 system are not colocated, indicating a dust-free inner gas disk within 55 AU of the star. We explore two possible scenarios for the origin of the gas. A secondary origin, which involves gas production from colliding or active planetesimals, would require unreasonably high gas production rates and would not explain why the gas and dust are not colocated. We propose that HD 21997 is a hybrid system where secondary debris dust and primordial gas coexist. HD 21997, whose age exceeds both the model predictions for disk clearing and the ages of the oldest T Tauri-like or transitional gas disks in the literature, may be a key object linking the primordial and the debris phases of disk evolution.

molecular gas↗
DOE OSTI2020

Porous FeCo Glassy Alloy as Bifunctional Support for High-Performance Zn-Air Battery

Zn-air battery (ZAB) is attracting increasing attention due to its high safety and performance. However, the practical application of ZAB relies heavily on developing durable support materials to replace conventional carbon supports which have unrecoverable corrosion issues, severely jeopardizing ZAB performance. Herein, a novel porous FeCo glassy alloy was developed as bifunctional catalytic support for ZAB. Specifically, the conducting skeleton of the porous glassy alloy was used to stabilize oxygen reduction cocatalysts, and more importantly, the FeCo served as the primary phase for oxygen evolution. To prove the concept of catalytic glassy alloy support, ultra-small Pd nanoparticles were anchored, as oxygen reduction active sites, on the porous FeCo (noted as Pd/FeCo) for ZAB. The Pd/FeCo exhibited a significantly improved electrocatalytic activity for oxygen reduction (a half-wave potential of 0.85 V) and oxygen evolution (a potential of 1.55 V to reach 10 mA cm –2 ) in the alkaline media. When used in the ZAB, the Pd/FeCo delivered an output power density of 117 mW cm –2 and outstanding cycling stability for over 200 h (400 cycles), surpassing the conventional carbon-supported Pt/C+IrO 2 catalysts. Such an integrated design of combining highly active components with porous architecture provides a new strategy to develop novel nanostructured electrocatalysts.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Hierarchically structured metal carbides as conductive fillers in thermo-responsive polymer nanocomposites for battery safety

Integrating thermo-responsive polymer switching materials (TRPS) into lithium-ion batteries (LIBs) has been recognized as one of the most effective strategies to prevent thermal runaway under various abuse scenarios. However, the current methods to obtain TRPS cannot satisfy different practical applications. Herein, we develop a versatile strategy for the preparation of various metal carbides (e.g., tungsten carbide, molybdenum carbide) with controllable hierarchical structure that is featured with surface protrusion structure, which is critical for high conductivity and rapid thermal response. Systematic studies of the phase and morphology evolutions by advanced characterizations illustrate that the reducing agent and reduction rate are critical for developing the specific morphology. In conclusion, by using the above-mentioned carbides as the conductive fillers of TRPS, the resulting TRPS with a specially controlled shape exhibits over 5 order of conductivity improvement compared with common carbides with particulate morphology, in addition to reversible shutdown performance and effective thermal abuse protections toward safe LIB operation.

25 ENERGY STORAGE↗
DOE OSTI2025

Thermodynamic and Kinetic Mechanisms Governing the Synthesis of Nickel-Poor Cathodes

A deeper understanding of the thermodynamics and kinetics governing the lithiation and layering mechanisms of NMC cathode materials (LiNixMnyCozO 2 , where x + y + z = 1) offers valuable insights for enhancing synthesis methods and improving cathode performance. By employing atomistic and mesoscale approaches informed by in situ powder X-ray diffraction (PXRD) experiments, critical parameters for comprehending lithiation and layering processes and reaction rates were identified. The mesoscale approach captured the evolution of the phases and crystallite size observed in the in situ PXRD, revealing the differences in reaction rates with the use of different lithium salts and starting precursors. Ab initio molecular dynamics (AIMD) underscored the importance of vacancies and structural defects in promoting ion mobility and facilitating the nucleation of a layered domain. This nucleation disrupts the symmetry of disordered phases, ultimately creating a strained phase that serves as a buffer between layered and disordered regions. The lithiation and layering processes reflect a dynamic balance between the thermodynamic drive for a low-energy layered structure and the kinetic of diffusion, which is influenced by temperature and lithium vacancy concentration. Overall, reaction mechanisms are driven by the inherent defects of the intermediate phase that differ for NMC cathode materials. The lithium salts impact the rates of lithiation and layering, with a much slower process for Li 2 CO 3 .

25 ENERGY STORAGE↗
DOE OSTI2023

Bismuth-Polyoxocation Coordination Networks: Controlling Nuclearity and Dimension-Dependent Photocatalysis

Bismuth-oxocluster nodes for metal–organic frameworks (MOFs) and coordination networks/polymers are less prolific than other families featuring zinc, zirconium, titanium, lanthanides, etc. However, Bi 3+ is non-toxic, it readily forms polyoxocations, and its oxides are exploited in photocatalysis. This family of compounds provides opportunity in medicinal and energy applications. Here, we show that Bi node nuclearity depends on solvent polarity, leading to a family of Bi x -sulfonate/carboxylate coordination networks with x = 1–38. Larger nuclearity-node networks were obtained from polar and strongly coordinating solvents, and we attribute the solvent’s ability to stabilize larger species in solution. Here, the strong role of the solvent and the lesser role of the linker in defining node topologies differ from other MOF syntheses, and this is due to the Bi 3+ intrinsic lone pair that leads to weak node–linker interactions. We describe this family by single-crystal X-ray diffraction (eleven structures), obtained in pure forms and high yields. Ditopic linkers include NDS (1,5-naphthalenedisulfonate), DDBS (2,2'-[biphenyl-4,4'-diylchethane-2,1-diyl] dibenzenesulphonate), and NH 2 -benzendicarboxylate (BDC). While the BDC and NDS linkers yield more open-framework topologies that resemble those obtained by carboxylate linkers, topologies with DDBS linkers appear to be in part driven by association between DDBS molecules. An in situ small-angle X-ray scattering study of Bi 38 -DDBS reveals stepwise formation, including Bi 38 -assembly, pre-organization in solution, followed by crystallization, confirming the less important role of the linker. We demonstrate photocatalytic hydrogen (H 2 ) generation with select members of the synthesized materials without the benefit of a co-catalyst. Band gap determination from X-ray photoelectron spectroscopy (XPS) and UV–vis data suggest the DDBS linker effectively absorbs in the visible range with ligand-to-Bi-node charge transfer. In addition, materials containing more Bi (larger Bi 38 -nodes or Bi 6 inorganic chains) exhibit strong UV absorption, also contributing to effective photocatalysis by a different mechanism. All tested materials became black with extensive UV–vis exposure, and XPS, transmission electron microscopy, and X-ray scattering of the black Bi 38 -framework suggest that Bi o is formed in situ, without phase segregation. This evolution leads to enhanced photocatalytic performance, perhaps due to increased light absorption.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗