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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 1,045 records · Page 58
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Using {sup 222}Rn as a tracer of geophysical processes in underground environments

Radon levels in two old mines in San Luis, Argentina, are reported and analyzed. These mines are today used for touristic visitation. Our goal was to assess the potential use of such radioactive noble gas as tracer of geological processes in underground environments. CR-39 nuclear track detectors were used during the winter and summer seasons. The findings show that the significant radon concentrations reported in this environment are subject to large seasonal modulations, due to the strong dependence of natural ventilation on the variations of outside temperature. The results also indicate that radon pattern distribution appear as a good method to localize unknown ducts, fissures or secondary tunnels in subterranean environments.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Exceptional enhancement of H{sub 2} production in alkaline environment over plasmonic Au/TiO{sub 2} photocatalyst under visible light

A reaction environment modulation strategy was employed to promote the H{sub 2} production over plasmonic Au/semiconductor composites. It is shown that the fast consumption of the holes in plasmonic Au nanoparticles by methanol in alkaline reaction environment remarkably increases H{sub 2} generation rate under visible light. The photocatalytic reaction is mainly driven by the interband transition of plasmonic Au nanoparticles, and the apparent quantum efficiency of plasmon-assisted H{sub 2} production at pH 14 reaches 6% at 420 nm. The reaction environment control provides a simple and effective way for the highly efficient solar fuel production from biomass reforming through plasmonic photocatalysis in future.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Entanglement evolution of a two-mode Gaussian system in various thermal environments

We describe the evolution of the quantum entanglement of an open system consisting of two bosonic modes interacting with a common thermal environment, described by two different models. The initial state of the system is taken of Gaussian form. In the case of a thermal bath, characterized by temperature and dissipation constant which correspond to an asymptotic Gibbs state of the system, we show that for a zero temperature of the thermal bath an initial entangled Gaussian state remains entangled for all finite times. For an entangled initial squeezed thermal state, the phenomenon of entanglement sudden death takes place and we calculate the survival time of entanglement. For the second model of the environment, corresponding to a non-Gibbs asymptotic state, we study the possibility of generating entanglement. We show that the generation of the entanglement between two uncoupled bosonic modes is possible only for definite values of the temperature and dissipation constant, which characterize the thermal environment.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Structural properties of lithium atom under weakly coupled plasma environment

The Rayleigh-Ritz variational technique with a Hylleraas basis set is being tested for the first time to estimate the structural modifications of a lithium atom embedded in a weakly coupled plasma environment. The Debye-Huckel potential is used to mimic the weakly coupled plasma environment. The wave functions for both the helium-like lithium ion and the lithium atom are expanded in the explicitly correlated Hylleraas type basis set which fully takes care of the electron-electron correlation effect. Due to the continuum lowering under plasma environment, the ionization potential of the system gradually decreases leading to the destabilization of the atom. The excited states destabilize at a lower value of the plasma density. The estimated ionization potential agrees fairly well with the few available theoretical estimates. The variation of one and two particle moments, dielectric susceptibility and magnetic shielding constant, with respect to plasma density is also been discussed in detail.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

A variational master equation approach to quantum dynamics with off-diagonal coupling in a sub-Ohmic environment

A master equation approach based on an optimized polaron transformation is adopted for dynamics simulation with simultaneous diagonal and off-diagonal spin-boson coupling. Two types of bath spectral density functions are considered, the Ohmic and the sub-Ohmic. The off-diagonal coupling leads asymptotically to a thermal equilibrium with a nonzero population difference P{sub z}(t → ∞) ≠ 0, which implies localization of the system, and it also plays a role in restraining coherent dynamics for the sub-Ohmic case. Since the new method can extend to the stronger coupling regime, we can investigate the coherent-incoherent transition in the sub-Ohmic environment. Relevant phase diagrams are obtained for different temperatures. It is found that the sub-Ohmic environment allows coherent dynamics at a higher temperature than the Ohmic environment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Effective interactions between nanoparticles: Creating temperature-independent solvation environments for self-assembly

The extent to which solvent-mediated effective interactions between nanoparticles can be predicted based on structure and associated thermodynamic estimators for bulk solvents and for solvation of single and pairs of nanoparticles is studied here. As a test of the approach, we analyse the strategy for creating temperature-independent solvent environments using a series of homologous chain fluids as solvents, as suggested by an experimental paper [M. I. Bodnarchuk et al., J. Am. Chem. Soc. 132, 11967 (2010)]. Our conclusions are based on molecular dynamics simulations of Au{sub 140}(SC{sub 10}H{sub 21}){sub 62} nanoparticles in n-alkane solvents, specifically hexane, octane, decane and dodecane, using the TraPPE-UA potential to model the alkanes and alkylthiols. The 140-atom gold core of the nanocrystal is held rigid in a truncated octahedral geometry and the gold-thiolate interaction is modeled using a Morse potential. The experimental observation was that the structural and rheological properties of n-alkane solvents are constant over a temperature range determined by equivalent solvent vapour pressures. We show that this is a consequence of the fact that long chain alkane liquids behave to a good approximation as simple liquids formed by packing of monomeric methyl/methylene units. Over the corresponding temperature range (233–361 K), the solvation environment is approximately constant at the single and pair nanoparticle levels under good solvent conditions. However, quantitative variations of the order of 10%–20% do exist in various quantities, such as molar volume of solute at infinite dilution, entropy of solvation, and onset distance for soft repulsions. In the opposite limit of a poor solvent, represented by vacuum in this study, the effective interactions between nanoparticles are no longer temperature-independent with attractive interactions increasing by up to 50% on decreasing the temperature from 361 K to 290 K, accompanied by an increase in emergent anisotropy due to correlation of mass dipoles on the two nanoparticles. One expects therefore that during self-assembly using solvent evaporation, temperature can be used as a structure-directing factor as long as good solvent conditions are maintained. It also suggests that disordered configurations may emerge as solvent quality decreases due to increasing role of short-range attractions and ligand fluctuation-driven anisotropy. The possibilities of using structural estimators of various thermodynamic quantities to analyse the interplay of ligand fluctuations and solvent quality in self-assembly as well as to design solvation environments are discussed.

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

Representing local atomic environment using descriptors based on local correlations

Statistical learning of material properties is an emerging topic of research and has been tremendously successful in areas such as representing complex energy landscapes as well as in technologically relevant areas, like identification of better catalysts and electronic materials. However, analysis of large data sets to efficiently learn characteristic features of a complex energy landscape, for example, depends on the ability of descriptors to effectively screen different local atomic environments. Thus, discovering appropriate descriptors of bulk or defect properties and the functional dependence of such properties on these descriptors remains a difficult and tedious process. To this end, we develop here a framework to generate descriptors based on many-body correlations that can effectively capture intrinsic geometric features of the local environment of an atom. These descriptors are based on the spectrum of two-body, three-body, four-body, and higher order correlations between an atom and its neighbors and are evaluated by calculating the corresponding two-body, three-body, and four-body overlap integrals. They are invariant to global translation, global rotation, reflection, and permutations of atomic indices. By systematically testing the ability to capture the local atomic environment, it is shown that the local correlation descriptors are able to successfully reconstruct structures containing 10-25 atoms which was previously not possible.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Embedding non-collinear two-component electronic structure in a collinear quantum environment

Spin-containing materials are important for spintronic applications. In this work, we present a computational framework to embed nonrelativistic, two-component calculations in a one-component environment. In this framework, both embedding scalar potential and magnetic field can be included to describe the interaction between quantum subsystems. In this current development, a generalized Kohn-Sham density functional theory electronic structure is embedded in unrestricted Kohn-Sham density functional theory. Two test systems are studied, specifically: a Li3 on a closed-shell He lattice and a Li3 on a He lattice containing a Li atom defect. The noncollinearity of Li3 is unaffected upon embedding in a closed-shell environment through the scalar potential embedding. However, the open-shell nature of the Li atom defect introduces an effective magnetic field that couples to the magnetic components of the generalized Kohn-Sham Hamiltonian. These results show that noncollinear quantum embedding in an open-shell collinear environment may modify the spin structure of the embedded system. The formalism developed herein may serve as a useful tool in the modeling of inhomogeneous magnetic fields in two-component calculations.

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

Thermite and intermetallic projectiles examined experimentally in air and inert gas environments

Intermetallic (aluminum and zirconium) and thermite (aluminum and molybdenum trioxide) projectiles were launched using a high velocity impact ignition testing system. The experiments were designed to simulate reactivity in high (argon) and low (air) altitude environments. The projectiles were launched into a chamber that included a steel target plate for projectile penetration before impacting a rear witness plate. The chamber was semi-sealed and instrumented for quasi-static pressure data. The results provide an understanding of energy release from the projectile materials and of the environmental influence on performance. The transient pressure traces provide insight into reaction kinetics. A bifurcation in transient pressure rise was an indication of a shift in reaction kinetics from the inherent reactive material to metal oxidation with the environment. The bifurcation was delayed by about 0.15 ms for the intermetallic relative to the thermite, evidence that the thermite reaction proceeded faster upon impact than the intermetallic. The two-step process (impact ignition of the reactive material followed by metal oxidation) was shown to produce higher energy conversion efficiencies than projectiles composed of pure fuel (i.e., aluminum) reported previously. Both reactive materials showed energy conversion efficiencies greater than 30% (for air) and 50% (for argon), and an explanation of underestimated efficiency and energy losses is provided. These results have implications for advancing formulations for ballistic applications. Structural reactive materials can be used to modify the effective reactivity of metal-containing formulations in varied atmospheric environments.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Investigation of vertical GaN-on-GaN p – n diode with regrown p -GaN for operation in Venus and other extreme environments

This Letter reports the performance of vertical GaN-on-GaN p–n diodes with etch-then-regrown p-GaN after exposure to a simulated Venus environment (460 °C, ∼94 bar, containing CO2/N2/SO2 etc., atmosphere) for over 10 days, and compared them to the performance of GaN p–n diodes without the etch-then-regrow process. After the above-mentioned Venus test, temperature-dependent I–V and microscopy investigation were conducted to study the robustness of etch-then-regrow p-GaN and vertical GaN p–n diodes under harsh environments and operation up to 500 °C. p-electrode degradation is found to be the main issue of the device's performance. This is the highest temperature at which such characterization has been conducted for vertical GaN p–n diodes, therefore establishing a critical reference for the development of p-GaN regrown and vertical GaN-based electronics for extreme environments.

Physics↗
DOE OSTI2024

Thermal deflection in neutron scattering sample environments at Oak Ridge National Laboratory

The neutron sources at Oak Ridge National Laboratory use a wide suite of sample environment equipment to deliver extreme conditions for a number of experiments. Much of this instrumentation focuses on extremes of temperature, such as cryostats, closed-cycle refrigerators in both low and high temperature configurations, and radiant heating furnaces. When the temperature is controlled across a large range, thermal deflection effects can notably move the sample and affect its alignment in the beam. Here, we combine these sample environments with neutron imaging and machine vision to determine the motion of a representative sample with respect to the neutron beam. We find vertical sample displacement on the order of 1–2 mm and horizontal displacement that varies from near-negligible to 1.2 mm. While these deflections are not relevant for some of the beamlines at the first target station at the spallation neutron source and the high flux isotope reactor, they will become critical for upcoming instrumentation at the second target station, as well as any instruments targeting sub-mm samples, as neutron sources and optics evolve to smaller and more focused beams. We discuss mitigation protocols and potential modifications to the environment to minimize the effect of misalignment due to thermal deflection.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Effects of a refractory metal protective barrier on uranium carbonitride ceramic–metallic composites exposed to a high temperature hydrogen environment

Uranium nitride has been under consideration at NASA and the Department of Energy for nuclear thermal propulsion applications intended for deep space exploration vehicles. It is critical to the success of the technology development that the behavior of the fuel system is properly characterized in operational environments. This body of work fabricated ceramic metal composites consisting of uranium ceramic fuel in a molybdenum and molybdenum–tungsten metal matrix, both with and without an exterior molybdenum barrier. Specimens were introduced to a high temperature hydrogen environment and characterized through x-ray diffraction, scanning electron microscopy, and energy dispersive spectroscopy to identify characteristic changes. A portion of the specimens was fabricated with a 1.27 mm thick molybdenum barrier in order to isolate the material from the hydrogen environment. Instability of the uranium nitride occurred as low as 2073 K, leading to aggressive instability approaching 2658 K. Carbon reactions with the metal matrix were observed as well as alloying between the uranium and metal matrix constituents. The liquid uranium resulting from the instability of the uranium nitride was observed to attack the grain boundaries of the refractory metal, resulting in the formation of a liquid uranium molybdenum eutectic melt. Specimens encased in a barrier experienced similar results. The authors conclude this is a significant challenge to applications of this cermet at these temperatures. Alternate configurations with resilient hermetic seals or lower temperature applications such as power reactors may have more success.

36 MATERIALS SCIENCE↗
DOE OSTI2014

The effects of the local environment on active galactic nuclei

There continues to be significant controversy regarding the mechanism(s) responsible for the initiation and maintenance of activity in galactic nuclei. In this paper we will investigate possible environmental triggers of nuclear activity through a statistical analysis of a large sample of galaxy groups. The focus of this paper is to identify active galactic nuclei (AGNs) and other emission-line galaxies in these groups and to compare their frequency with a sample of over 260,000 isolated galaxies from the same catalog. The galaxy groups are taken from the catalog of Yang et al., in which over 20,000 virialized groups of galaxies (2 ≤ N ≤ 20) with redshifts between 0.01 and 0.20 are from the Sloan Digital Sky Survey. We first investigate the completeness of our data set and find, though biases are a concern particularly at higher redshift, that our data provide a fair representation of the local universe. After correcting emission-line equivalent widths for extinction and underlying Balmer stellar absorption, we classify galaxies in the sample using traditional emission-line ratios, while incorporating measurement uncertainties. We find a significantly higher fraction of AGNs in groups compared with the isolated sample. Likewise, a significantly higher fraction of absorption-line galaxies are found in groups, while a higher fraction of star-forming galaxies prefer isolated environments. Within grouped environments, AGNs and star-forming galaxies are found more frequently in small- to medium-richness groups, while absorption-line galaxies prefer groups with larger richnesses. Groups containing only emission-line galaxies have smaller virial radii, velocity dispersions, and masses compared with those containing only absorption-line galaxies. Furthermore, the AGN fraction increases with decreasing distance to the group centroid, independent of galaxy morphology. Using properties obtained from Galaxy Zoo, there is an increased fraction of AGNs within merging systems, unlike star-forming galaxies. These results provide some indication that the local environment does play a role in initiating activity in galactic nuclei, but it is by no means simple or straightforward.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Effects of large-scale environment on the assembly history of central galaxies

We examine whether large-scale environment affects the mass assembly history of central galaxies. To facilitate this, we constructed dark matter halo merger trees from a cosmological N-body simulation and calculated the formation and evolution of galaxies using a semi-analytic method. We confirm earlier results that smaller halos show a notable difference in formation time with a mild dependence on large-scale environment. However, using a semi-analytic model, we found that on average the growth rate of the stellar mass of central galaxies is largely insensitive to large-scale environment. Although our results show that the star formation rate (SFR) and the stellar mass of central galaxies in smaller halos are slightly affected by the assembly bias of halos, those galaxies are faint and the difference in the SFR is minute, therefore it is challenging to detect it in real galaxies given the current observational accuracy. Future galaxy surveys, such as the BigBOSS experiment and the Large Synoptic Survey Telescope, which are expected to provide observational data for fainter objects, will provide a chance to test our model predictions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

The environment of barred galaxies in the low-redshift universe

We present a study of the environment of barred galaxies using a volume-limited sample of over 30,000 galaxies drawn from the Sloan Digital Sky Survey. We use four different statistics to quantify the environment: the projected two-point cross-correlation function, the background-subtracted number count of neighbor galaxies, the overdensity of the local environment, and the membership of our galaxies to galaxy groups to segregate central and satellite systems. For barred galaxies as a whole, we find a very weak difference in all the quantities compared to unbarred galaxies of the control sample. When we split our sample into early- and late-type galaxies, we see a weak but significant trend for early-type galaxies with a bar to be more strongly clustered on scales from a few 100 kpc to 1 Mpc when compared to unbarred early-type galaxies. This indicates that the presence of a bar in early-type galaxies depends on the location within their host dark matter halos. This is confirmed by the group catalog in the sense that for early-types, the fraction of central galaxies is smaller if they have a bar. For late-type galaxies, we find fewer neighbors within ∼50 kpc around the barred galaxies when compared to unbarred galaxies from the control sample, suggesting that tidal forces from close companions suppress the formation/growth of bars. Finally, we find no obvious correlation between overdensity and the bars in our sample, showing that galactic bars are not obviously linked to the large-scale structure of the universe.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

FROM BLUE STAR-FORMING TO RED PASSIVE: GALAXIES IN TRANSITION IN DIFFERENT ENVIRONMENTS

Exploiting a mass-complete (M {sub *} > 10{sup 10.25} M {sub ☉}) sample at 0.03 <z < 0.11 drawn from the Padova Millennium Galaxy Group Catalog, we use the (U – B) {sub rf} color and morphologies to characterize galaxies, in particular those that show signs of an ongoing or recent transformation of their star-formation activity and/or morphology: green galaxies, red passive late types, and blue star-forming early types. Color fractions depend on mass and only for M {sub *} < 10{sup 10.7} M {sub ☉} on environment. The incidence of red galaxies increases with increasing mass, and, for M {sub *} < 10{sup 10.7} M {sub ☉}, decreases toward the group outskirts and in binary and single galaxies. The relative abundance of green and blue galaxies is independent of environment and increases monotonically with galaxy mass. We also inspect galaxy structural parameters, star-formation properties, histories, and ages and propose an evolutionary scenario for the different subpopulations. Color transformations are due to a reduction and suppression of the star-formation rate in both bulges and disks that does not noticeably affect galaxy structure. Morphological transitions are linked to an enhanced bulge-to-disk ratio that is due to the removal of the disk, not to an increase of the bulge. Our modeling suggests that green colors might be due to star-formation histories declining with long timescales, as an alternative scenario to the classical ''quenching'' processes. Our results suggest that galaxy transformations in star-formation activity and morphology depend neither on the environment nor on being a satellite or the most massive galaxy of a halo. The only environmental dependence we find is the higher fast quenching efficiency in groups giving origin to poststarburst signatures.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

EXTREMELY METAL-POOR GALAXIES: THE ENVIRONMENT

We have analyzed bibliographical observational data and theoretical predictions, in order to probe the environment in which extremely metal-poor dwarf galaxies (XMPs) reside. We have assessed the H i component and its relation to the optical galaxy, the cosmic web type (voids, sheets, filaments and knots), the overdensity parameter and analyzed the nearest galaxy neighbors. The aim is to understand the role of interactions and cosmological accretion flows in the XMP observational properties, particularly the triggering and feeding of the star formation. We find that XMPs behave similarly to Blue Compact Dwarfs; they preferably populate low-density environments in the local universe: ∼60% occupy underdense regions, and ∼75% reside in voids and sheets. This is more extreme than the distribution of irregular galaxies, and in contrast to those regions preferred by elliptical galaxies (knots and filaments). We further find results consistent with previous observations; while the environment does determine the fraction of a certain galaxy type, it does not determine the overall observational properties. With the exception of five documented cases (four sources with companions and one recent merger), XMPs do not generally show signatures of major mergers and interactions; we find only one XMP with a companion galaxy within a distance of 100 kpc, and the H i gas in XMPs is typically well-behaved, demonstrating asymmetries mostly in the outskirts. We conclude that metal-poor accretion flows may be driving the XMP evolution. Such cosmological accretion could explain all the major XMP observational properties: isolation, lack of interaction/merger signatures, asymmetric optical morphology, large amounts of unsettled, metal-poor H i gas, metallicity inhomogeneities, and large specific star formation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Interplay of vibration- and environment-assisted energy transfer

Abstract We study the interplay between two environmental influences on excited state energy transfer in photosynthetic light harvesting complexes, namely, vibrationally assisted energy transfer (VAET) and environment-assisted quantum transport (ENAQT), considering a dimeric chromophore donor–acceptor model as a prototype for larger systems. We demonstrate how the basic features of the excitonic energy transfer are influenced by these two environments, both separately and together, with the environment being fully quantum in the case of VAET and treated in the Haken–Strobl–Reineker classical limit in the case of ENAQT. Our results reveal that in the weak noise regime, the presence of a classical noise source is detrimental to the energy transfer that is resonantly assisted by the exciton-vibration interactions intrinsic to VAET. In the strong noise regime we reproduce all the features of ENAQT, including the turnover into a Zeno regime where energy transfer is suppressed, and VAET is insignificant.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗