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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
NASA NTRS1997

Functional specializations in human cerebral cortex analyzed using the Visible Man surface-based atlas

We used surface-based representations to analyze functional specializations in the human cerebral cortex. A computerized reconstruction of the cortical surface of the Visible Man digital atlas was generated and transformed to the Talairach coordinate system. This surface was also flattened and used to establish a surface-based coordinate system that respects the topology of the cortical sheet. The linkage between two-dimensional and three-dimensional representations allows the locations of published neuroimaging activation foci to be stereotaxically projected onto the Visible Man cortical flat map. An analysis of two activation studies related to the hearing and reading of music and of words illustrates how this approach permits the systematic estimation of the degree of functional segregation and of potential functional overlap for different aspects of sensory processing.

Non-NASA Center↗
NASA NTRS2024

San Joaquin Valley Health & Air Quality II: Assessing Urban Heat Island Distribution and its Intersections with Air Quality to Understand Converging Vulnerabilities

The city of Stockton, California, located within the San Joaquin Valley (SJV), is a major hub for agricultural production and has endured the continuous threat to community health from nitrogen dioxide (NO 2 ) and increasing temperatures. The convergence of these issues occurs within historically segregated communities that are disproportionately facing health risks related to heat and air quality. Little Manila Rising (LMR), a social and environmental justice (EJ) advocacy non-profit, partnered with NASA DEVELOP for a second term project to evaluate county wide urban heat islands, sociodemographic vulnerability, landcover classification, and the convergence of these variables. We utilized Landsat 8 Thermal Infrared Sensor (TIRS) and Operational Land Imager (OLI) data to produce a land surface temperature (LST) and Normalized Difference Vegetation Index map. They added Centers for Disease Control (CDC) socioeconomic data from 2020 to identify which communities in Stockton were more susceptible to these environmental factors. Additionally, we used NAIP imagery to create a landcover map differentiating developed infrastructure from tree canopy cover. We discovered that south Stockton, where LMR resides, had the worst convergence of heat, air pollution, low canopy coverage and sociodemographic vulnerability compared to northern and rural parts of the city. This was further substantiated by statistical analysis showing a strong positive relationship between areas of high LST and low vegetation. The results provided LMR with compelling evidence to use in their EJ advocacy, and in their efforts to inform state officials of the discriminatory issues they face.

Urban Heat Islands↗
DOE OSTI2014

Degradation of transparent conductive properties of undoped ZnO and Ga-doped ZnO films left in atmospheric ambient for several years and trials to recover initial conductance

This study evaluated the long-term stability of the transparent conductive properties of undoped ZnO and Ga-doped ZnO (GZO) films that had been left in an atmospheric ambient environment for 5 to 6 yr. When ZnO films are stored in a clean room with a controlled temperature and humidity of 23 °C and 45%, respectively, throughout the year, the increases in sheet resistance are less than 5% of their initial value. The ZnO films stored in a non-air-conditioned laboratory room, whose temperature varies between 5 and 35 °C and humidity varies between 30% and 70% per year, suffer from increases in the sheet resistance by almost 13%, which is associated with a slight rise in the near-infrared transmittance level. Postannealing of these degraded ZnO films at 150–200 °C recovers the initial conductance by removing the H{sub 2}O molecules that have penetrated the film. One hour of irradiation with electron cyclotron resonance Ar plasma effectively restores the conductive surfaces while maintaining a temperature below 70 °C. The GZO films containing a few weight percent of Ga{sub 2}O{sub 3} are stable even when stored in a non-air-conditioned laboratory room, with changes in the sheet resistance of less than 3%. The GZO films with a Ga{sub 2}O{sub 3} content larger than 10 wt. %, however, exhibit serious degradation probably due to the strong affinity of segregated Ga{sub 2}O{sub 3} domains with H{sub 2}O vapor molecules. Neither postannealing nor Ar plasma irradiation can recover the initial sheet resistance of these GZO films.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Ultrafast Sintering and Dopant Effects in Garnet LLZO Solid Electrolytes

High-throughput, low-cost manufacturing, and optimization of solid electrolytes are necessary for the adoption of solid-state batteries. In this work, garnet-type Li 7 La 3 Zr 2 O 12 (LLZO) with different aliovalent dopants, 𝑇𝑎$_{^·_{𝑍𝑟}}$, 𝐴𝑙$^{··}_{𝐿𝑖}$, and 𝐺𝑎$^{··}_{𝐿𝑖}$, have been ultrafast-sintered with different temperature ramping rates. The densification behavior, phases, their evolution, and surface chemistry of different LLZO have been investigated and linked to their electrochemical performances. It has been shown that LLZO with 𝑇𝑎$_{^·_{𝑍𝑟}}$ dopant demonstrates the highest garnet phase purity and overall best electrochemical performances, and ultrafast sintering further improves densification, ionic conductivity, and electrochemical stability. On the other hand, LLZO doped with 𝐴𝑙$^{··}_{𝐿𝑖}$ and 𝐺𝑎$^{··}_{𝐿𝑖}$ are reaching higher cubic phase purities and ionic conductivities via conventional sintering, indicating undesirable dopant migration and segregation during the ultrafast sintering process. In conclusion, these findings provide insights into the manufacturing of solid electrolyte materials.

36 MATERIALS SCIENCE↗
NASA NTRS1984

Crystal nucleation and glass formation in metallic alloy melts

Homogeneous nucleation, containerless solidification, and bulk formation of metallic glasses are discussed. Homogeneous nucleation is not a limiting factor for metallic glass formation at slow cooling rates if the reduced glass transition temperature is high enough. Such glasses can be made in bulk if heterogeneous nucleants are removed. Containerless processing eleminates potential sources of nucleants, but as drop tube experiments on the Pd-Si alloys show, the free surface may still be a very effective heterogeneous nucleant. Combination of etching and heating in vacuum or fluxing can be effective for cleaning fairly large ingots of nucleants. Reduced gravity processing has a potentially useful role in the fluxing technique, for example to keep large metallic ingots surrounded by a low density, low fluidity flux if this proved difficult under ground conditions. For systems where heterogeneous nucleants in the bulk of the ingot need gravity to segregate to the flux-metal interface, reduced gravity processing may not be appropriate for bulk glass formation.

Spaepen, F.↗
NASA NTRS1994

Crystal growth and fluid mechanics problems in directional solidification

Broadly speaking, our efforts have been concentrated in two aspects of directional solidification: (A) a more complete theoretical understanding of convection effects in a Bridgman apparatus; and (B) a clear understanding of scalings of various features of dendritic crystal growth in the sensitive limit of small capillary effects. For studies that fall within class A, the principal objectives are as follows: (A1) Derive analytical formulas for segregation, interfacial shape and fluid velocities in mathematically amenable asymptotic limits. (A2) Numerically verify and extend asymptotic results to other ranges of parameter space with a view to a broader physical understanding of the general trends. With respect to studies that fall within class B, the principal objectives include answering the following questions about dendritic crystal growth: (B1) Are there unsteady dendrite solutions in 2-D to the completely nonlinear time evolving equations in the small surface tension limit with only a locally steady tip region with well defined tip radius and velocity? Is anisotropy in surface tension necessary for the existence of such solutions as it is for a true steady state needle crystal? How does the size of such a local region depend on capillary effects, anisotropy and undercooling? (B2) How do the different control parameters affect the nonlinear amplification of tip noise and dendritic side branch coarsening?

Tanveer, Saleh↗
DOE OSTI2018

The Effect of CO 2 Pressure on Chromia Scale Microstructure at 750°C

To understand and model performance in supercritical CO 2 (sCO 2 ) for high-efficiency, concentrating solar power (CSP) and fossil energy power cycles, reaction rates are compared at 750°C in 0.1 MPa CO 2 and 30 MPa sCO 2 as well as laboratory air as a baseline on structural materials such as Ni-based alloy 625. Due to the thin reaction products formed even after 5000 h, scanning transmission electron microscopy was used to study the Cr-rich surface oxide scale. The scales formed in CO 2 and sCO 2 had a much finer grain size with more voids observed in CO 2 . However, the observations on alloy 625 were complicated by Mo and Nb-rich precipitates in the adjacent substrate and Al internal oxidation. To simplify the system, a binary Ni-22Cr alloy was exposed for 1000 h in similar environments. After exposure in sCO 2 , there was an indication of carbon segregation detected on the Cr 2 O 3 grain boundaries. After exposure in air, metallic Ni precipitates were observed in the scale that were not observed in the scale formed on alloy 625. The scale formed in air on a second Ni-22Cr model alloy with Mn and Si additions did not contain Ni precipitates, suggesting caution when drawing conclusions from model alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Benchmarks and Tests of a Multidimensional Cluster Dynamics Model of Helium Implantation in Tungsten

Here, we present a hierarchical multiscale modeling study of implanted helium (He) segregation near grain boundaries (GBs) of tungsten. We extend our spatially dependent cluster dynamics model to two spatial dimensions in order to take into account the biased drift of mobile He clusters toward the GBs observed in atomic-scale simulations. We are also able to reproduce the results from large-scale molecular dynamics simulations near and away from the GBs at low fluence with the extended cluster dynamics model. We suggest and verify that the sink (surface and GB) strengths are attenuated by the increasing concentration of He clusters at high fluence. This cluster dynamics model continues to set the stage for development of fully atomistically informed, coarse-grained models for computationally efficient predictions of He retention and surface morphological evolution, advancing progress toward the goal of efficient and optimal design of plasma-facing components.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1976

Implications of an internal dynamo for the thermal history of Mercury

Constraints placed on the thermal evolution of Mercury by the dynamo model of the planet's magnetic field are investigated. It is assumed that Mercury is a differentiated planet possessing an iron-nickel core with a radius approximately three-fourths of the planetary radius, that the mantle is made of silicates with thermal and rheological properties similar to those of earth's upper mantle, and that differentiation was a global process which resulted in the removal of radioactive heat sources from the core and the upward segregation of heat sources in the mantle. These assumptions are found to lead to the conclusion that the existence of a molten core requires the retention of a minimum concentration of heat sources throughout the mantle, the value being comparable to the mantle-wide average concentration for earth. Thus, it is suggested that the differentiation of Mercury could not have resulted in the complete removal of heat sources from the mantle into a crust near the planet's surface.

Cassen, P.↗
DOE OSTI2025

Doping Effects on the Ductility of a Lightweight Refractory High-Entropy Alloy: Grain Boundary and Bulk Lattice Aspects

Doping elements in small amounts often segregate to grain boundaries (GBs) in alloys and can significantly impact mechanical properties and performance. Refractory high-entropy alloys (RHEAs) are known for their poor ductility, especially at low temperatures. Promoting GB cohesion through segregation can be an effective approach to mitigate embrittlement. Here, in this study, first-principles density functional theory (DFT) calculations were performed to examine the effects of important interstitial dopants (O, B, C, and N) and substitutional dopants (Cr, Y, La, and Ce) on the Σ5(310) [001] tilt GB of a lightweight RHEA Nb 32.5 Ti 27.5 Mo 22.5 Ta 12.5 Hf 2.5 Zr 2.5 . The DFT calculations reveal that certain dopants, such as B, C, Cr, N, and Y, exhibit favorable GB strengthening effects by improving bonding interactions with the bulk alloy. The impact of doping on the ductility parameter of the bulk lattice, defined as the ratio of surface energy to unstable stacking fault energy for the {110} <111> slip system, was also studied; and the results show that doping reduces the intrinsic ductility of the alloy, decreasing the D-parameter from 2.90 to 2.55, depending on the specific dopant. The present findings provide a foundational understanding at atomic level of the effect of representative dopants on mechanical properties of RHEAs and can be used to guide future alloy design for improved mechanical properties.

deformation charge density↗
DOE OSTI2014

Self-sustained turbulence without dynamical forcing: A two-dimensional study of a bistable interstellar medium

In this paper, the nonlinear evolution of a bistable interstellar medium is investigated using two-dimensional simulations with a realistic cooling rate, thermal conduction, and physical viscosity. The calculations are performed using periodic boundary conditions without any external dynamical forcing. As the initial condition, a spatially uniform unstable gas under thermal equilibrium is considered. At the initial stage, the unstable gas quickly segregates into two phases: cold neutral medium (CNM) and warm neutral medium (WNM). Then, self-sustained turbulence with velocity dispersion of 0.1-0.2 km s{sup –1} is observed in which the CNM moves around in the WNM. We find that the interfacial medium (IFM) between the CNM and WNM plays an important role in sustaining the turbulence. The self-sustaining mechanism can be divided into two steps. First, thermal conduction drives fast flows streaming into concave CNM surfaces toward the WNM. The kinetic energy of the fast flows in the IFM is incorporated into that of the CNM through the phase transition. Second, turbulence inside the CNM deforms interfaces and forms other concave CNM surfaces, leading to fast flows in the IFM. This drives the first step again and a cycle is established by which turbulent motions are self-sustained.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1986

A nonmagmatic origin of group-IIE iron meteorites

New neutron activation data on 10 elements in 12 IIE and IIE-related irons lead to a reclassification of several irons. Seymchan and Lonaconing are removed from IIE, and Leshan added. Four IIE members are designated IIE-An to call attention to some anomalous properties. The eight normal IIE members define element-Ni trends generally similar to those in the nonmagmatic group IAB; the small negative slopes on W-Ni and Ir-Ni diagrams are strongly indicative of a nonmagmatic origin of the IIE irons. It is proposed that IIE irons like IAB irons originated as individual pools of impact-produced melt in the near-surface region of a chondritic parent body. The positive As-Ni and Au-Ni trends are the only evidence suggesting fractional crystallization, but their slopes are lower than those in magmatic group IIIAB, and only slightly higher than those of Cu and Sb in IAB. It is suggested that the S and C contents of the IIE precursor materials were much lower than those of the IAB precursors, thus higher temperatures were required to generate enough metallic melt to segregate into pools. These higher temperatures are also reflected in the nonchondritic compositions of the silicate inclusions.

Wasson, J. T.↗
DOE OSTI2013

An X-Ray Fluorescence Study on the Segregation of Cs and I in and Inverted Organic Solar Cell

X-ray near-total-reflection fluorescence reveals that in multilayers of the inverted organic solar cell (ITO/CsI/P3HT:PCBM-based) Cs diffuses into the organic layer and iodide diffuses into the ITO. Laser ablation inductively coupled plasma mass spectrometry measurements, which integrate elemental concentration across the whole multilayer structure, indicate that the Cs:I ratio remains 1:1 confirming there is no loss of iodine from the sample. Iodide diffusion to the bulk ITO layer is also found in a similarly prepared ITO/NaI/P3HT:PCBM multilayer structure. Our results are consistent with recent XPS measurements which show that the Cs:I ratio at the ITO/CsI surface exceeds 8:1, and rationalize this observation.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Reduced Energetic Disorders in Dion–Jacobson Perovskites for Efficient and Spectral Stable Blue LEDs

Metal halide perovskites have witnessed great success in green, red, and near-infrared light-emitting diodes (LEDs), yet blue LEDs still lag behind. Reducing undesired energetic disorders – broad n -phases and halide segregation – is considered as the most critical strategy to further improve the performances. Here, the study reports a newly designed and synthesized di-ammonium ligand with rigid π -conjugated rings and additional methyl groups to construct Dion–Jacobson (DJ) structure. Augmented coordination from the extra ammonium site and increased effective bulkiness from methyl groups lead to better distribution control over conventional mono-ammonium ligands. This enhances the radiative recombination of blue emissions in the film with homogeneous energy landscape and improved surface morphology, as evidenced by a series of imaging and mapping techniques. As a result, it demonstrates DJ perovskite LEDs (PeLEDs) with peak external quantum efficiencies of ≈4% at 484 nm and ≈11% at 494 nm, which are among the top reported for pure DJ phase-based PeLEDs in the corresponding wavelength regions. The results deepen the understanding of regulating energetic disorders in perovskite materials via molecular engineering.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Microstructure and Mechanical Behavior of High-Entropy Alloys

High entropy alloys (HEA) have generated interest in recent years due to their unique positioning within the alloy world. By incorporating a number of elements in high proportion, usually of equal atomic percent, they have high configurational entropy, and thus, they hold the promise of interesting and useful properties such as enhanced strength and alloy stability. The present study investigates the mechanical behavior, fracture characteristics and microstructure of two singlephase FCC high-entropy alloys (HEA's) CoCrFeNi and CoCrFeNiMn with some detailed attention given to melting, homogenization and thermo-mechanical processing. Ingots approaching 8 kg in mass were made by vacuum induction melting (VIM) to avoid the extrinsic factors inherent to small scale laboratory button samples. A computationally based homogenization heat treatment was given to both alloys in order to eliminate any solidification segregation. The alloys were then fabricated in the usual way (forging, followed by hot rolling) with typical thermo-mechanical processing parameters employed. Transmission electron microscopy (TEM) was subsequently used to assess the single phase nature of the alloys prior to mechanical testing. Tensile specimens (ASTM E8) were prepared with tensile mechanical properties obtained from room temperature through 800°C. Material from the gage section of selected tensile specimens was extracted to document room and elevated temperature deformation within the HEA's. Fracture surfaces were also examined to note fracture failure modes. The tensile behavior and selected tensile properties were compared with results in the literature for similar alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Unsaturated Ligands Seed an Order to Disorder Transition in Mixed Ligand Shells of CdSe/CdS Quantum Dots

A phase transition within the ligand shell of core/shell quantum dots is studied in the prototypical system of colloidal CdSe/CdS quantum dots with a ligand shell composed of bound oleate (OA) and octadecylphosphonate (ODPA). The ligand shell composition is tuned using a ligand exchange procedure and quantified through proton NMR spectroscopy. Temperature-dependent photoluminescence spectroscopy reveals a signature of a phase transition within the organic ligand shell. Surprisingly, the ligand order to disorder phase transition triggers an abrupt increase in the photoluminescence quantum yield (PLQY) and full-width at half-maximum (FWHM) with increasing temperature. The temperature and width of the phase transition show a clear dependence on ligand shell composition, such that QDs with higher ODPA fractions have sharper phase transitions that occur at higher temperatures. In order to gain a molecular understanding of the changes in ligand ordering, Fourier transform infrared and vibrational sum frequency generation spectroscopies are performed. These measurements confirm that an order/disorder transition in the ligand shell tracks with the photoluminescence changes that accompany the ligand phase transition. The phase transition is simulated through a lattice model that suggests that the ligand shell is well-mixed and does not have completely segregated domains of OA and ODPA. Finally, we show that the unsaturated chains of OA seed disorder within the ligand shell.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Improved ZnS nanoparticle properties through sequential NanoFermentation

Sequential NanoFermentation (SNF) is a novel process which entails sparging microbially produced gas containing H 2 S from a primary reactor through a concentrated metal-acetate solution contained in a secondary reactor, thereby precipitating metallic sulfide nanoparticles (e.g., ZnS, CuS, or SnS). SNF holds an advantage over single reactor nanoparticle synthesis strategies, because it avoids exposing the microorganisms to high concentrations of toxic metal and sulfide ions. Also, by segregating the nanoparticle products from biological materials, SNF avoids coating nanoparticles with bioproducts that alter their desired properties. Herein, we report the properties of ZnS nanoparticles formed from SNF as compared with ones produced directly in a primary reactor (i.e., conventional NanoFermentation, or “CNF”), commercially available ZnS, and ZnS chemically synthesized by bubbling H 2 S gas through a Zn-acetate solution. The ZnS nanoparticles produced by SNF provided improved optical properties due to their smaller crystallite size, smaller overall particle sizes, reduced biotic surface coatings, and reduced structural defects. Furthermore, SNF still maintained the advantages of NanoFermentation technology over chemical synthesis including scalability, reproducibility, and lower hazardous waste burden.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Carbide-Modified Pd on ZrO2 as Active Phase for CO2-Reforming of Methane—A Model Phase Boundary Approach

Starting from subsurface Zr0-doped “inverse” Pd and bulk-intermetallic Pd0Zr0 model catalyst precursors, we investigated the dry reforming reaction of methane (DRM) using synchrotron-based near ambient pressure in-situ X-ray photoelectron spectroscopy (NAP-XPS), in-situ X-ray diffraction and catalytic testing in an ultrahigh-vacuum-compatible recirculating batch reactor cell. Both intermetallic precursors develop a Pd0–ZrO2 phase boundary under realistic DRM conditions, whereby the oxidative segregation of ZrO2 from bulk intermetallic PdxZry leads to a highly active composite layer of carbide-modified Pd0 metal nanoparticles in contact with tetragonal ZrO2. This active state exhibits reaction rates exceeding those of a conventional supported Pd–ZrO2 reference catalyst and its high activity is unambiguously linked to the fast conversion of the highly reactive carbidic/dissolved C-species inside Pd0 toward CO at the Pd/ZrO2 phase boundary, which serves the role of providing efficient CO2 activation sites. In contrast, the near-surface intermetallic precursor decomposes toward ZrO2 islands at the surface of a quasi-infinite Pd0 metal bulk. Strongly delayed Pd carbide accumulation and thus carbon resegregation under reaction conditions leads to a much less active interfacial ZrO2–Pd0 state.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗