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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 1,711 records · Page 95
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Zingerone reduces HMGB1-mediated septic responses and improves survival in septic mice

High mobility group box 1 (HMGB1) is considered a late mediator of sepsis and the inhibition of HMGB1-mediated severe inflammatory responses and restoration of endothelial integrity have emerged as attractive therapeutic strategies for the management of sepsis. Zingerone (ZGR), a phenolic alkanone isolated from ginger, has been reported to possess various pharmacological activities. We examined the effects of ZGR on HMGB1-mediated septic responses and survival rate in a mouse model of sepsis. ZGR was administered after HMGB1 challenge. The antiseptic activity of ZGR was determined from the measurements of permeability, leukocyte adhesion and migration, activation of pro-inflammatory proteins, and the production of tissue injury markers in HMGB1-activated HUVECs and mice. ZGR significantly reduced HMGB1 release in LPS-activated HUVECs via the SIRT1-mediated deacetylation of HMGB1. And, ZGR suppressed the production of TNF-α and IL-6 and the activation of NF-κB and ERK 1/2 by HMGB1. ZGR also inhibited HMGB1-mediated hyperpermeability and leukocyte migration in mice. In addition, treatment with ZGR reduced the CLP-induced release of HMGB1, sepsis-related mortality, and tissue injury in vivo. Our results indicated that ZGR might be useful in the treatment of sepsis by targeting HMGB1. - Highlights: • HMGB1 is considered a late mediator of sepsis. • Zingerone suppressed LPS-induced secretion of HMGB1 in vitro and in vivo. • Zingerone reduced HMGB1-mediated hyperpermeability in vitro and in vivo. • Zingerone inhibited HMGB1-mediated leukocytes adhesion and migration. • Zingerone reduced mortality and lung injury in mouse sepsis model.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

MicroRNA and protein profiles in invasive versus non-invasive oral tongue squamous cell carcinoma cells in vitro

Complex molecular pathways regulate cancer invasion. This study overviewed proteins and microRNAs (miRNAs) involved in oral tongue squamous cell carcinoma (OTSCC) invasion. The human highly aggressive OTSCC cell line HSC-3 was examined in a 3D organotypic human leiomyoma model. Non-invasive and invasive cells were laser-captured and protein expression was analyzed using mass spectrometry-based proteomics and miRNA expression by microarray. In functional studies the 3D invasion assay was replicated after silencing candidate miRNAs, miR-498 and miR-940, in invasive OTSCC cell lines (HSC-3 and SCC-15). Cell migration, proliferation and viability were also studied in the silenced cells. In HSC-3 cells, 67 proteins and 53 miRNAs showed significant fold-changes between non-invasive vs. invasive cells. Pathway enrichment analyses allocated “Focal adhesion” and “ECM-receptor interaction” as most important for invasion. Significantly, in HSC-3 cells, miR-498 silencing decreased the invasion area and miR-940 silencing reduced invasion area and depth. Viability, proliferation and migration weren’t significantly affected. In SCC-15 cells, down-regulation of miR-498 significantly reduced invasion and migration. This study shows HSC-3 specific miRNA and protein expression in invasion, and suggests that miR-498 and miR-940 affect invasion in vitro, the process being more influenced by mir-940 silencing in aggressive HSC-3 cells than in the less invasive SCC-15.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Solid-State Ionic Rectification in Perovskite Nanowire Heterostructures

Halide perovskites have attracted increasing research attention with regard to their potential for optoelectronic applications. Because of its low activation energy, ion migration is implicated in the long-term stability and many unusual transport behaviors of halide perovskite devices. However, direct observation and precise control of the ionic transport in halide perovskite crystals remain challenging. Here, we have designed an axial CsPbBr 3 -CsPbCl 3 nanowire heterostructure, in which electric-field-induced halide ion migration was clearly visualized and quantified. We demonstrated that halide ion migration is dependent on the applied electric field and exhibits ionic rectification in this solid-state system, which is due to the nonuniform distribution of the ionic vacancies in the nanowire that results from a competition between electrical screening and their creation/destruction at the electrodes' interfaces. Furthermore, the asymmetric heterostructure characteristics add an additional knob to control the ion movement in the design of advanced ionic circuits with halide perovskites as building blocks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

An implantable instrument for studying the long-term flight biology of migratory birds

The design of an instrument deployed in a project studying the high altitude Himalayan migrations of bar-headed geese (Anser indicus) is described. The electronics of this archival datalogger measured 22 × 14 × 6.5 mm, weighed 3 g, was powered by a ½AA-sized battery weighing 10 g and housed in a transparent biocompatible tube sealed with titanium electrodes for electrocardiography (ECG). The combined weight of 32 g represented less than 2% of the typical bodyweight of the geese. The primary tasks of the instrument were to continuously record a digitised ECG signal for heart-rate determination and store 12-bit triaxial accelerations sampled at 100 Hz with 15% coverage over each 2 min period. Measurement of atmospheric pressure provided an indication of altitude and rate of ascent or descent during flight. Geomagnetic field readings allowed for latitude estimation. These parameters were logged twice per minute along with body temperature. Data were stored to a memory card of 8 GB capacity. Instruments were implanted in geese captured on Mongolian lakes during the breeding season when the birds are temporarily flightless due to moulting. The goal was to collect data over a ten month period, covering both southward and northward migrations. This imposed extreme constraints on the design's power consumption. Raw ECG can be post-processed to obtain heart-rate, allowing improved rejection of signal interference due to strenuous activity of locomotory muscles during flight. Accelerometry can be used to monitor wing-beat frequency and body kinematics, and since the geese continued to flap their wings continuously even during rather steep descents, act as a proxy for biomechanical power. The instrument enables detailed investigation of the challenges faced by the geese during these arduous migrations which typically involve flying at extreme altitudes through cold, low density air where oxygen availability is significantly reduced compared to sea level.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

High temperature and current density induced degradation of multi-layer graphene

We present evidence of moderate current density, when accompanied with high temperature, promoting migration of foreign atoms on the surface of multi-layer graphene. Our in situ transmission electron microscope experiments show migration of silicon atoms at temperatures above 800 °C and current density around 4.2 × 10{sup 7} A/cm{sup 2}. Originating from the micro-machined silicon structures that clamp the freestanding specimen, the atoms are observed to react with the carbon atoms in the multi-layer graphene to produce silicon carbide at temperatures of 900–1000 °C. In the absence of electrical current, there is no migration of silicon and only pyrolysis of polymeric residue is observed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Spoke-like differential rotation in a convective dynamo with a coronal envelope

We report on the results of four convective dynamo simulations with an outer coronal layer. The magnetic field is self-consistently generated by the convective motions beneath the surface. Above the convection zone, we include a polytropic layer that extends to 1.6 solar radii. The temperature increases in this region to ≈8 times the value at the surface, corresponding to ≈1.2 times the value at the bottom of the spherical shell. We associate this region with the solar corona. We find solar-like differential rotation with radial contours of constant rotation rate, together with a near-surface shear layer. This non-cylindrical rotation profile is caused by a non-zero latitudinal entropy gradient that offsets the Taylor-Proudman balance through the baroclinic term. The meridional circulation is multi-cellular with a solar-like poleward flow near the surface at low latitudes. In most of the cases, the mean magnetic field is oscillatory with equatorward migration in two cases. In other cases, the equatorward migration is overlaid by stationary or even poleward migrating mean fields.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Tidal dissipation and obliquity evolution in hot Jupiter systems

Two formation scenarios have been proposed to explain the tight orbits of hot Jupiters. They could be formed in orbits with a small inclination (with respect to the stellar spin) via disk migration, or in more highly inclined orbits via high-eccentricity migration, where gravitational interactions with a companion and tidal dissipation are at play. Here we target hot Jupiter systems where the misalignment λ has been inferred observationally and we investigate whether their properties are consistent with high-eccentricity migration. Specifically, we study whether stellar tides can be responsible for the observed distribution of λ and orbital separations. Improving on previous studies, we use detailed models for each star, thus accounting for how convection (and tidal dissipation) depends on stellar properties. In line with observations suggesting that hotter stars have higher λ, we find that λ increases as the amount of stellar surface convection decreases. This trend supports the hypothesis that tides are the mechanism shaping the observed distribution of λ. Furthermore, we study the past orbital evolution of five representative systems, chosen to cover a variety of temperatures and misalignments. We consider various initial orbital configurations and integrate the equations describing the coupled evolution of the orbital separation, stellar spin, and misalignment. We account for stellar tides and wind mass loss, stellar evolution, and magnetic braking. We show that the current properties of these five representative systems can be explained naturally, given our current understanding of tidal dissipation and with physically motivated assumptions for the effects driving the orbital evolution.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

N-body simulations of terrestrial planet formation under the influence of a hot Jupiter

We investigate the formation of multiple-planet systems in the presence of a hot Jupiter (HJ) using extended N-body simulations that are performed simultaneously with semianalytic calculations. Our primary aims are to describe the planet formation process starting from planetesimals using high-resolution simulations, and to examine the dependences of the architecture of planetary systems on input parameters (e.g., disk mass, disk viscosity). We observe that protoplanets that arise from oligarchic growth and undergo type I migration stop migrating when they join a chain of resonant planets outside the orbit of an HJ. The formation of a resonant chain is almost independent of our model parameters, and is thus a robust process. At the end of our simulations, several terrestrial planets remain at around 0.1 AU. The formed planets are not equal mass; the largest planet constitutes more than 50% of the total mass in the close-in region, which is also less dependent on parameters. In the previous work of this paper, we have found a new physical mechanism of induced migration of the HJ, which is called a crowding-out. If the HJ opens up a wide gap in the disk (e.g., owing to low disk viscosity), crowding-out becomes less efficient and the HJ remains. We also discuss angular momentum transfer between the planets and disk.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Application of gas dynamical friction for planetesimals. I. Evolution of single planetesimals

The growth of small planetesimals into large planetary embryos occurs far before the dispersal of the gas from the protoplanetary disk. The planetesimal–gaseous disk interactions give rise to migration and orbital evolution of the planetesimals/planets. Small planetesimals are dominated by aerodynamic gas drag. Large protoplanets, m∼0.1M{sub ⊕}, are dominated by type I migration differential torque. There is an additional mass range m∼10{sup 21}−10{sup 25} g of intermediate-mass planetesimals (IMPs), where gravitational interactions with the disk dominate over aerodynamic gas drag, but for which such interactions were typically neglected. Here, we model these interactions using the gas dynamical friction (GDF) approach, previously used to study the disk–planet interactions at the planetary mass range. We find the critical size where GDF dominates over gas drag, and then we study the implications of GDF on single IMPs. We find that planetesimals with small inclinations rapidly become co-planar. Eccentric orbits circularize within a few Myr, provided the the planetesimal mass is large, m≳10{sup 23} g, and that the initial eccentricity is low, e≲0.1. Planetesimals of higher masses, m∼10{sup 24}−10{sup 25} g, inspiral on a timescale of a few Myr, leading to an embryonic migration to the inner disk. This can lead to an overabundance of rocky material (in the form of IMPs) in the inner protoplanetary disk (<1 AU) and induce rapid planetary growth. This can explain the origin of super-Earth planets. In addition, GDF damps the velocities of IMPs, thereby cooling the planetesimal disk and affecting its collisional evolution through quenching the effects of viscous stirring by the large bodies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

GIANT PLANETS ORBITING METAL-RICH STARS SHOW SIGNATURES OF PLANET-PLANET INTERACTIONS

Gas giants orbiting interior to the ice line are thought to have been displaced from their formation locations by processes that remain debated. Here we uncover several new metallicity trends, which together may indicate that two competing mechanisms deliver close-in giant planets: gentle disk migration, operating in environments with a range of metallicities, and violent planet-planet gravitational interactions, primarily triggered in metal-rich systems in which multiple giant planets can form. First, we show with 99.1% confidence that giant planets with semimajor axes between 0.1 and 1 AU orbiting metal-poor stars ([Fe/H] < 0) are confined to lower eccentricities than those orbiting metal-rich stars. Second, we show with 93.3% confidence that eccentric proto-hot Jupiters undergoing tidal circularization primarily orbit metal-rich stars. Finally, we show that only metal-rich stars host a pile-up of hot Jupiters, helping account for the lack of such a pile-up in the overall Kepler sample. Migration caused by stellar perturbers (e.g., stellar Kozai) is unlikely to account for the trends. These trends further motivate follow-up theoretical work addressing which hot Jupiter migration theories can also produce the observed population of eccentric giant planets between 0.1 and 1 AU.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Thermokinetics of point defects in α-Fe 2 O 3

Abstract Point defect formation and migration in oxides governs a wide range of phenomena from corrosion kinetics and radiation damage evolution to electronic properties. In this study, we examine the thermodynamics and kinetics of anion and cation point defects using density functional theory in hematite ( α -Fe 2 O 3 ), an important iron oxide highly relevant in both corrosion of steels and water-splitting applications. These calculations indicate that the migration barriers for point defects can vary significantly with charge state, particularly for cation interstitials. Additionally, we find multiple possible migration pathways for many of the point defects in this material, related to the low symmetry of the corundum crystal structure. The possible percolation paths are examined, using the barriers to determine the magnitude and anisotropy of long-range diffusion. Our findings suggest highly anisotropic mass transport in hematite, favoring diffusion along the c -axis of the crystal. In addition, we have considered the point defect formation energetics using the largest Fe 2 O 3 supercell reported to date.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Atomistic modeling of lanthanide diffusion in refractory body-centered cubic molybdenum

Lanthanide fission products can strongly interact with candidate cladding alloys, but their transport properties in refractory metals remain poorly understood. Here, in this work, we investigate the atomic-scale diffusion behavior of La, Ce, Pr, and Nd in body-centered cubic (bcc) molybdenum, a potential candidate for advanced nuclear cladding. Self-consistent mean-field transport modeling is performed to evaluate the fission product transport and vacancy mobility, informed by first-principles and nudged elastic band calculations of vacancy formation energies, migration barriers, and solute–vacancy binding characteristics. Compared with bcc Fe, lanthanide solutes in bcc Mo exhibit slower tracer diffusion due to higher vacancy formation and migration energies. Furthermore, the calculations reveal that the influence of fission products on migration barriers in bcc Mo are not as extensive in range compared to bcc Fe. Among the studied lanthanides, La exhibits the strongest vacancy binding while also being the fastest diffuser in Mo. These findings highlight how refractory bcc alloys can reduce fission product infiltration, offering valuable insight into the development of durable cladding systems for advanced reactors.

36 - MATERIALS SCIENCE↗
DOE OSTI2016

Kinetic mechanism of V-shaped twinning in 3C/4H-SiC heteroepitaxy

The authors investigated the kinetic mechanism of V-shaped twinning in 3C/4H-SiC heteroepitaxy. A fourfold V-shaped twinning complex was found, and its interface was measured with high-resolution transmission electron microscopy (HRTEM). Two linear coherent boundaries and a nonlinear incoherent boundary (also called the double-position boundary) were observed. On the basis of the HRTEM results, the authors proposed an adatom migration growth model, in which the activation barrier at the coherent boundary is much lower than that at the incoherent boundary. From a kinetic perspective, adatoms are prone to migrate to the side of the boundary with the lower potential energy if they have sufficient thermal energy to overcome the activation barrier. In the case of a coherent boundary, the growth rates of the domains either side of the boundary can be balanced through the intermigration of adatoms, leading to a linear boundary. Conversely, it is difficult for adatoms to migrate across an incoherent boundary, which results in asynchronous growth rates and a nonlinear boundary.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

The Effect of the Formation of Silicides on the Resistivity of Silicon

The effect of the formation of thin films of nickel silicides on the migration of intrinsic p-type impurities in silicon was studied for the first time. It was found that bulk resistance ρ{sub v} of a single Si crystal increases by a factor of 3–4 if a NiSi{sub 2} film with thickness θ ≥ 50–100 Å forms on its surface. This is attributable to the migration of boron atoms toward the silicide film. The Si layer thickness enabling measurable boron migration was estimated at 800–1000 Å.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Modeling Dynamic Evolution of Oxygen Vacancies in Solid Oxide Materials

SOEC is a promising H 2 generation technology for mitigating climate change. Novel material design and optimization strategies, such as oxygen vacancy chemistries, can enhance SOEC efficiency. In this study, Monte Carlo-ReaxFF and eReaxFF simulations were used to study oxygen vacancies (O v ) and electron migration in BZY20 solid oxide material. Our results shows that O v migrate towards the surface, increasing surface O v concentration by 10%. Yttrium restricts electron mobility and functions as an electron trapping site, while Zr accelerates electron mobility and migration. These insights could improve solid-state electrolytes’ electrochemical performance in renewable energy applications.

13 HYDRO ENERGY↗
DOE OSTI2016

Quantification of massive seasonal aggregations of blacktip sharks ( Carcharhinus limbatus ) in Southeast Florida

Southeast Florida witnesses an enormous seasonal influx of upper trophic level marine predators each year as massive aggregations of migrating blacktip sharks ( Carcharhinus limbatus ) overwinter in nearshore waters. The narrow shelf and close proximity of the Gulf Stream current to the Palm Beach County shoreline drive tens of thousands of sharks to the shallow, coastal environment. This natural bottleneck provides a unique opportunity to estimate relative abundance. Over a four year period from 2011–2014, an aerial survey was flown approximately biweekly along the length of Palm Beach County. A high definition video camera and digital still camera mounted out of the airplane window provided a continuous record of the belt transect which extended 200 m seaward from the shoreline between Boca Raton Inlet and Jupiter Inlet. The number of sharks within the survey transect was directly counted from the video. Shark abundance peaked in the winter (January-March) with a maximum in 2011 of 12,128 individuals counted within the 75.6 km -2 belt transect. This resulted in a maximum density of 803.2 sharks km -2 . By the late spring (April-May), shark abundance had sharply declined to 1.1% of its peak, where it remained until spiking again in January of the following year. Shark abundance was inversely correlated with water temperature and large numbers of sharks were found only when water temperatures were less than 25°C. Shark abundance was also correlated with day of the year but not with barometric pressure. Although shark abundance was not correlated with photoperiod, the departure of the sharks from southeast Florida occurred around the vernal equinox. The shark migration along the United States eastern seaboard corresponds spatially and temporally with the spawning aggregations of various baitfish species. As a result, these baseline abundance data can be compared to future studies to determine if shark population size is changing and if sharks are restricting their southward migration as global water temperatures increase.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

Coupling of Nuclear Waste Form Corrosion and Radionuclide Transports in Presence of Relevant Repository Sediments

Assessments of waste form and disposal options start with the degradation of the waste forms and consequent mobilization of radionuclides. Long-term static tests, single-pass flow-through tests, and the pressurized unsaturated flow test are often employed to study the durability of potential waste forms and to help create models that predict their durability throughout the lifespan of the disposal site. These tests involve the corrosion of the material in the presence of various leachants, with different experimental designs yielding desired information about the behavior of the material. Though these tests have proved instrumental in elucidating various mechanisms responsible for material corrosion, the chemical environment to which the material is subject is often not representative of a potential radioactive waste repository where factors such as pH and leachant composition will be controlled by the near-field environment. Near-field materials include, but are not limited to, the original engineered barriers, their resulting corrosion products, backfill materials, and the natural host rock. For an accurate performance assessment of a nuclear waste repository, realistic waste corrosion experimental data ought to be modeled to allow for a better understanding of waste form corrosion mechanisms and the effect of immediate geochemical environment on these mechanisms. Additionally, the migration of radionuclides in the resulting chemical environment during and after waste form corrosion must be quantified and mechanisms responsible for migrations understood. The goal of this research was to understand the mechanisms responsible for waste form corrosion in the presence of relevant repository sediments to allow for accurate radionuclide migration quantifications. The rationale for this work is that a better understanding of waste form corrosion in relevant systems will enable increased reliance on waste form performance in repository environments and potentially decrease the need for expensive engineered barriers.Our current work aims are 1) quantifying and understanding the processes associated with glass alteration in contact with Fe-bearing materials; 2) quantifying and understanding the processes associated with glass alteration in presence of MgO (example of engineered barrier used in WIPP); 3) identifying glass alteration suppressants and the processes involved to reach glass alteration suppression; 4) quantifying and understanding the processes associated with Saltstone and Cast Stone (SRS and Hanford cementitious waste forms) in various representative groundwaters; 5) investigating positron annihilation as a new tool for the study of glass alteration; and 6) quantifying and understanding the processes associated with glass alteration under gamma irradiation.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

Report on simulation of fission gas and fission product diffusion in UO 2

In UO 2 nuclear fuel, the retention and release of fission gas atoms such as xenon (Xe) are important for nuclear fuel performance by, for example, reducing the fuel thermal conductivity, causing fuel swelling that leads to mechanical interaction with the clad, increasing the plenum pressure and reducing the fuel–clad gap thermal conductivity. We use multi-­scale simulations to determine fission gas diffusion mechanisms as well as the corresponding rates in UO 2 under both intrinsic and irradiation conditions. In addition to Xe and Kr, the fission products Zr, Ru, Ce, Y, La, Sr and Ba have been investigated. Density functional theory (DFT) calculations are used to study formation, binding and migration energies of small clusters of Xe atoms and vacancies. Empirical potential calculations enable us to determine the corresponding entropies and attempt frequencies for migration as well as investigate the properties of large clusters or small fission gas bubbles. A continuum reaction-­diffusion model is developed for Xe and point defects based on the mechanisms and rates obtained from atomistic simulations. Effective fission gas diffusivities are then obtained by solving this set of equations for different chemical and irradiation conditions using the MARMOT phase field code. The predictions are compared to available experimental data. The importance of the large Xe U3O cluster (a Xe atom in a uranium + oxygen vacancy trap site with two bound uranium vacancies) is emphasized, which is a consequence of its high mobility and high binding energy. We find that the Xe U3O cluster gives Xe diffusion coefficients that are higher for intrinsic conditions than under irradiation over a wide range of temperatures. Under irradiation the fast-­moving Xe U3O cluster recombines quickly with irradiation-induced interstitial U ions, while this mechanism is less important for intrinsic conditions. The net result is higher concentration of the Xe U3O cluster for intrinsic conditions than under irradiation. We speculate that differences in the irradiation conditions and their impact on the Xe U3O cluster can explain the wide range of diffusivities reported in experimental studies. However, all vacancy-­mediated mechanisms underestimate the Xe diffusivity compared to the empirical radiation-­enhanced rate used in most fission gas release models. We investigate the possibility that diffusion of small fission gas bubbles or extended Xe-­vacancy clusters may give rise to the observed radiation-­enhanced diffusion coefficient. These studies highlight the importance of U divacancies and an octahedron coordination of uranium vacancies encompassing a Xe fission gas atom. The latter cluster can migrate via a multistep mechanism with a rather low effective barrier, which together with irradiation-induced clusters of uranium vacancies, gives rise to the irradiation-enhanced diffusion coefficient observed in experiments.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗