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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

Interannual and Decadal Variability of Summer Rainfall over South America

Using the CPC (Climate Prediction Center) Merged Analysis of Precipitation product along with the Goddard Earth Observing System reanalysis and the Climate Analysis Center sea surface temperature (SST) data, we conduct a diagnostic study of the interannual and decadal scale variability of summer rainfall over South America. Results show three leading modes of rainfall variation identified with interannual, decadal, and long-term trend variability. Together, these modes explain more than half the total variance. The first mode is highly correlated with El Nino/southern oscillation (ENSO), showing severe drought over Northeast Brazil and copious rainfall over the Ecuador coast and the area of Uruguay-Southern Brazil in El Nino years. This pattern is attributed to the large scale zonal shift of the Walker circulation and local Hadley cell anomaly induced by positive (negative) SST anomaly over the eastern (western) equatorial Pacific. In El Nino years, two convective belts indicated by upper tropospheric velocity potential trough and mid-tropospheric rising motion, which are somewhat symmetric about the equator, extend toward the northeast and the southeast into the tropical North and South Atlantic respectively. Sandwiched between the ascent is a region of descending motion over Northeast Brazil. The southern branch of the anomalous Hadley cell is dynamically linked to the increase of rainfall over Uruguay-Southern Brazil. The regional response of anomalous circulation shows a stronger South American summer monsoon and an enhanced (weakened) subtropical high over the South Atlantic (South Pacific) Ocean. The decadal variation displays a meridional shift of the Intertropical Convergence Zone (ITCZ), which is tie to the anomalous cross-equatorial SST gradient over the Atlantic and the eastern Pacific. In conjunction with this mode is a large scale mass swing between the polar regions and midlatitudes in both hemispheres. Over the South Atlantic and the South Pacific, the changes of the strength of the subtropical high and the associated surface wind are dynamically consistent with the distribution of local SST anomalies, suggesting the importance of the atmospheric forcing in the decadal time scale. The decadal mode also presents a weak summer monsoon in its positive phase, which reduces the moisture supply from the equatorial Atlantic and the Amazon Basin and results in negative rainfall anomalies over the central Andes and Gran Chaco. The long-term trend shows decrease of rainfall from the northwest coast to the southeast subtropical region and a southward shift of Atlantic ITCZ that leads to increased rainfall over northern and eastern Brazil. Our result shows a close link of this mode to the observed SST warming trend over the subtropical South Atlantic and a remote connection to the interdecadal SST variation over the extratropical North Atlantic found in previous studies.

Zhou, Jiayu↗
NASA NTRS2003

Characteristics of Mini-Magnetospheres Formed by Paleo-Magnetic Fields of Mars

The intensely and non-uniformly magnetized crustal sources generate an effective large-scale magnetic field. In the Southern hemisphere the strongest crustal fields lead to the formation of large-scale mini-magnetospheres. In the Northern hemisphere, the crustal fields are rather weak and there are only isolated mini-magnetospheres. Re-connection with the interplanetary magnetic field (IMF) occurs in many localized regions. This may occur not only in cusp-like structures above nearly vertical field anomalies but also in halos extending several hundreds of kilometers from these sources. Re-connection will permit solar wind (SW) and more energetic particles to precipitate into and heat the neutral atmosphere. Electron density profiles of the ionosphere of Mars derived from radio occultation data obtained by the Radio Science Mars Global Surveyor (MGS) experiment are concentrated in the near polar regions. The effective scale-height of the neutral atmosphere density in the vicinity of the ionization peak has been derived for each of the profiles studied. The effective scale-heights have been compared with the crustal magnetic fields measured by the MGS Magnetometer/Electron Reflectometer (MAG/ER) experiment. A significant difference between the large-scale mini-magnetospheres and regions outside of them has been found. The neutral atmosphere is cooler inside the large-scale mini-magnetospheres. It appears that outside of the cusps the strong crustal magnetic fields prevent additional heating of the neutral atmosphere by direct interaction of the SW. The scale-height of the neutral atmosphere density derived from the experiment with the MGS Accelerometer has been compared with MAG/ER data. The scale-height was found to be usually larger than mean value near the boundaries of potential mini-magnetospheres and around cusps . It may indicate that the paleo-magnetic/IMF field re-connection is characteristic of the mini-magnetospheres at Mars.

N F Ness↗
DOE OSTI2010

Characterizing the Locality of Diabatic States forElectronic Excitation Transfer By Decomposing theDiabatic Coupling

A common strategy to calculate electronic coupling matrix elements for charge or energy transfer is to take the adiabatic states generated by electronic structure computations and rotate them to form localized diabatic states. In this paper, we show that, for intermolecular transfer of singlet electronic excitation, usually we cannot fully localize the electronic excitations in this way. Instead, we calculate putative initial and final states with small excitation tails caused by weak interactions with high energy excited states in the electronic manifold. These tails do not lead to substantial changes in the total diabatic coupling between states, but they do lead to a different partitioning of the total coupling between Coulomb (Forster), exchange (Dexter), and one-electron components. The tails may be reduced by using a multistate diabatic model or eliminated entirely by truncation (denoted as 'chopping'). Without more information, we are unable to conclude with certainty whether the observed diabatic tails are a physical reality or a computational artifact. This research suggests that decomposition of the diabatic coupling between chromophores into Coulomb, exchange, and one-electron components may depend strongly on the number of states considered, and such results should be treated with caution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Adsorption and Photodesorption of CO from Charged Point Defects on TiO 2 (110)

Adsorption and photodesorption of weakly-bound carbon monoxide, CO, from reduced and hydroxylated rutile TiO2(110) (r- and h- TiO2(110)) at sub-monolayer coverages is studied with atomically-resolved scanning tunneling microscopy (STM) along with ensemble-averaged temperature-programmed desorption (TPD) and angle-resolved photon-stimulated desorption (PSD) at low temperatures ( 50 K). STM data weighted by the concentration of each kind of adsorption sites on r-TiO2(110) give an adsorption probability which is the highest for the bridging oxygen vacancies (VO) and very low for the Ti5c sites closest to VO. Occupancy of the remaining Ti5c sites with CO is significant, but smaller than for VO. The probability distribution for the different adsorption sites corresponds to a very small difference in CO adsorption energies: < 0.02 eV. We also find that UV irradiation stimulates both diffusion and desorption of CO at low temperature. CO photodesorbs primarily from the vacancies with a bi-modal angular distribution. In addition to a major, normal to the surface component, there is a broader cosine component indicating scattering from the surface which likely also leads to photo-stimulated diffusion. Hydroxylation of VO’s does not significantly change the CO PSD yield and angular distribution, indicating that not atomic but rather electronic surface defects are involved in the site-specific PSD process. We suggest that photodesorption can be initiated by recombination of photo-generated holes with excess unpaired electrons localized near the surface point-defect (either VO or bridging hydroxyl), leading to the surface atoms rearrangement and ejection of the weakly-bound CO molecules.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2011

STUDY OF MOLECULAR CLOUDS ASSOCIATED WITH H II REGIONS

The properties of molecular clouds associated with 10 H II regions were studied using CO observations. We identified 142 dense clumps within our sample and found that our sources are divided into two categories: those with clumps that show a power-law size-line-width relation (Type I) and those that do not show any relation (Type II). The clumps in the Type I sources have larger power-law indices than found in previous studies. The clumps in the Type II sources have larger line widths than do the clumps in the Type I sources. The mass M{sub LTE} increases with {Delta}V for both {sup 12}CO and {sup 13}CO lines in Type I sources. No relation was found for Type II sources. Type II sources show evidence (such as outflows) of current active star formation within the clump and we suggest that the lack of a size-line-width relation is a sign of current active star formation. For both types of sources, no relation was found between volume density and size, but overall larger clumps have smaller volume density, indicating that smaller clumps are more evolved and have contracted to smaller sizes and higher densities. Massive clumps seem to have similar masses calculated by different methods but lower mass clumps have larger virial masses compared to velocity integrated (X-factor) and local thermodynamic equilibrium mass. We found no relation between mass distribution of the clumps and distance from the H II region ionization front, but a weak decrease of the excitation temperature with increasing distance from the ionized gas. The clumps in collected shells around the H II regions have slightly larger line widths but no relation was found between line width and distance from the H II region, which probably indicates that the internal dynamics of the clumps are not affected by the ionized gas. Internal sources of turbulence, such as outflows and stellar winds from young proto-stars, may have a more important role on the molecular gas dynamics. We suggest that large line width and larger size-line-width power-law indices are therefore the initial characteristics of clumps in massive star-forming clouds (e.g., our Type I sources) and that some may evolve into objects similar to our Type II sources, where local 'second generation' stars are forming and eliminating the size-line-width relation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Identification of Differential Equations by Dynamics-Guided Weighted Weak Form with Voting

In the identification of differential equations from data, significant progresses have been made with the weak/integral formulation. In this paper, we explore the direction of finding more efficient and robust test functions adaptively given the observed data. While this is a difficult task, we propose weighting a collection of localized test functions for better identification of differential equations from a single trajectory of noisy observations on the differential equation. We find that using high dynamic regions is effective in finding the equation as well as the coefficients, and propose a dynamics indicator per differential term and weight the weak form accordingly. For stable identification against noise, we further introduce a voting strategy to identify the active features from an ensemble of recovered results by selecting the features that frequently occur in different weighting of test functions. Systematic numerical experiments are provided to demonstrate the robustness of our method.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

The importance of localized modes spectral contribution to thermal conductivity in amorphous polymers

Abstract Polymers are a unique class of materials from the perspective of normal mode analysis. Polymers consist of individual chains with repeating units and strong intra-chain covalent bonds, and amorphous arrangements among chains with weak inter-chain van der Waals and for some polymers also electrostatic interactions. Intuitively, this strong heterogeneity in bond strength can give rise to special features in the constituent phonons, but such effects have not been studied deeply before. Here, we use lattice dynamics and molecular dynamics to perform modal analysis of the thermal conductivity in amorphous polymers. We find an abnormally large population of localized modes in amorphous polymers, which is fundamentally different from amorphous inorganic materials. Contrary to the common picture of thermal transport, localized modes in amorphous polymers are found to be the dominant contributors to thermal conductivity. We find that a significant portion of the localization happens within individual chains, but heat is dominantly conducted when localized modes involve two chains. These results suggest localized modes generally play a key role in thermal transport for different polymers. The results provide an alternative perspective on why polymer thermal conductivity is generally quite low and gives insight into how to potentially change it.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Loss-tolerant quantum secure positioning with weak laser sources

Quantum position verification (QPV) is the art of verifying the geographical location of an untrusted party. It has recently been shown that the widely studied Bennett & Brassard 1984 (BB84) QPV protocol is insecure after the 3 dB loss point assuming local operations and classical communication (LOCC) adversaries. Here in this paper, we propose a time-reversed entanglement swapping QPV protocol (based on measurement-device-independent quantum cryptography) that is highly robust against quantum channel loss. First, assuming ideal qubit sources, we show that the protocol is secure against LOCC adversaries for any quantum channel loss, thereby overcoming the 3 dB loss limit. Then, we analyze the security of the protocol in a more practical setting involving weak laser sources and linear optics. Lastly, in this setting, we find that the security only degrades by an additive constant and the protocol is able to verify positions up to 47 dB channel loss.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

All-atom molecular dynamics simulations of weak polyionic brushes: influence of charge density on the properties of polyelectrolyte chains, brush-supported counterions, and water molecules

All atom molecular dynamics (MD) simulations of planar Na+-counterion-neutralized polyacrylic acid (PAA) brushes are performed for varying degrees of ionization (and thereby varying charge density) and varying grafting density. Variation in the PE charge density (or degree of ionization) and grafting density leads to massive changes of the properties of the PE molecules (quantified by the changes in the height and the mobility of the PE brushes) as well as the local arrangement and distribution of the brush-supported counterions and water molecules within the brushes. The effect on the counterions is manifested by the corresponding variation of the counterion mobility, counterion concentration, extent of counterion binding to the charged site of the PE brushes, water-in-salt-like structure formation, and counterion-water–oxygen radial distribution function within the PE brushes. On the other hand, the effect on water molecules is manifested by the corresponding variation of water–oxygen–water–oxygen RDF, local water density, water–water and water–PE functional group hydrogen bond networks, static dielectric constant of water molecules, orientational tetrahedral order parameter, and water mobility. Enforcing such varying degree of ionization of weak polyelectrolytes is possible by changing the pH of the surrounding medium. Thus, our results provide insights into the changes in microstructure (at the atomistic level) of weak polyionic brushes at varying pH. Finally, we anticipate that this knowledge will prove to be vital for the efficient design of several nano-scale systems employing PE brushes such as nanomechanical gates, current rectifiers, etc.

42 ENGINEERING↗
DOE OSTI2020

An adaptive space-time phase field formulation for dynamic fracture of brittle shells based on LR NURBS

Here, we present an adaptive space-time phase field formulation for dynamic fracture of brittle shells. Their deformation is characterized by the Kirchhoff–Love thin shell theory using a curvilinear surface description. All kinematical objects are defined on the shell’s mid-plane. The evolution equation for the phase field is determined by the minimization of an energy functional based on Griffith’s theory of brittle fracture. Membrane and bending contributions to the fracture process are modeled separately and a thickness integration is established for the latter. The coupled system consists of two nonlinear fourth-order PDEs and all quantities are defined on an evolving two-dimensional manifold. Since the weak form requires C 1 -continuity, isogeometric shape functions are used. The mesh is adaptively refined based on the phase field using Locally Refinable (LR) NURBS. Time is discretized based on a generalized-α method using adaptive time-stepping, and the discretized coupled system is solved with a monolithic Newton–Raphson scheme. Finally, the interaction between surface deformation and crack evolution is demonstrated by several numerical examples showing dynamic crack propagation and branching.

42 ENGINEERING↗
DOE OSTI2013

A critical review of seven selected neighborhood sustainability assessment tools

Neighborhood sustainability assessment tools have become widespread since the turn of 21st century and many communities, mainly in the developed world, are utilizing these tools to measure their success in approaching sustainable development goals. In this study, seven tools from Australia, Europe, Japan, and the United States are selected and analyzed with the aim of providing insights into the current situations; highlighting the strengths, weaknesses, successes, and failures; and making recommendations for future improvements. Using a content analysis, the issues of sustainability coverage, pre-requisites, local adaptability, scoring and weighting, participation, reporting, and applicability are discussed in this paper. The results of this study indicate that most of the tools are not doing well regarding the coverage of social, economic, and institutional aspects of sustainability; there are ambiguities and shortcomings in the weighting, scoring, and rating; in most cases, there is no mechanism for local adaptability and participation; and, only those tools which are embedded within the broader planning framework are doing well with regard to applicability. - Highlights: Black-Right-Pointing-Pointer Seven widely used assessment tools were analyzed. Black-Right-Pointing-Pointer There is a lack of balanced assessment of sustainability dimensions. Black-Right-Pointing-Pointer Tools are not doing well regarding the applicability. Black-Right-Pointing-Pointer Refinements are needed to make the tools more effective. Black-Right-Pointing-Pointer Assessment tools must be integrated into the planning process.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Recent seismicity at Ceboruco Volcano (Mexico)

Magma and related hydrothermal fluid movement, and their interaction with solid rock, in active volcanic regions, generate a wide variety of seismic waves whose characterization can mitigate the risk of a potential eruption. Located in the western region of the Trans-Mexican Volcanic Belt, Ceboruco Volcano, whose last eruptive period was 1870–1875, is considered to be one of the most hazardous volcanoes in Mexico. We have conducted a detailed study of the seismicity in the surroundings of Ceboruco's volcanic edifice to assess the current state of this volcano. A dense temporary seismic network with 25 seismic stations in an area of 16 km × 16 km was deployed between November 2016 and July 2017, as part of the P-24 project of the CeMIEGeo consortium; this effort has allowed the detection of 81 earthquakes concentrated beneath the crater with depths between 4 and 8 km. In this study, we observe that the recorded seismicity occurs in swarms, and we specifically identify four sequences that we characterize in detail via the first focal mechanisms available for this volcano. Our results suggest a change in the local seismicity distribution compared to earlier observations, which reported seismic activity near the volcano edifice associated with fluid migration along zones of weakness related to the extensional stresses of the Tepic-Zacoalco rift. The changes in seismic patterns and obtained focal mechanisms are consistent with observed fluid effects at many geothermal sites worldwide, but also could suggest resumption of activity at this currently dormant volcano.

58 GEOSCIENCES↗
DOE OSTI2014

Influence of Dopant Distribution on the Plasmonic Properties of Indium Tin Oxide Nanocrystals

Doped metal oxide nanocrystals represent an exciting frontier for colloidal synthesis of plasmonic materials, displaying unique optoelectronic properties and showing promise for a variety of applications. However, fundamental questions about the nature of doping in these materials remain. In this article, the strong influence of radial dopant distribution on the optoelectronic properties of colloidal indium tin oxide nanocrystals is reported. Comparing elemental depth-profiling by X-ray photoelectron spectroscopy (XPS) with detailed modeling and simulation of the optical extinction of these nanocrystals using the Drude model for free electrons, a correlation between surface segregation of tin ions and the average activation of dopants is observed. A strong influence of surface segregation of tin on the line shape of the localized surface plasmon resonance (LSPR) is also reported. Samples with tin segregated near the surface show a symmetric line shape that suggests weak or no damping of the plasmon by ionized impurities. It is suggested that segregation of tin near the surface facilitates compensation of the dopant ions by electronic defects and oxygen interstitials, thus reducing activation. A core shell model is proposed to explain the observed differences in line shape. These results demonstrate the nuanced role of dopant distribution in determining the optoelectronic properties of semiconductor nanocrystals and suggest that more detailed study of the distribution and structure of defects in plasmonic colloidal nanocrystals is warranted.

Lounis, SD↗
DOE OSTI2011

Femtosecond Nanofocusing with Full Optical Waveform Control

The simultaneous nanometer spatial confinement and femtosecond temporal control of an optical excitation has been a long-standing challenge in optics. Previous approaches using surface plasmon polariton (SPP) resonant nanostructures or SPP waveguides have suffered from, for example, mode mismatch, or possible dependence on the phase of the driving laser field to achieve spatial localization. Here we take advantage of the intrinsic phase- and amplitude-independent nanofocusing ability of a conical noble metal tip with weak wavelength dependence over a broad bandwidth to achieve a 10 nm spatially and few-femtosecond temporally confined excitation. In combination with spectral pulse shaping and feedback on the second-harmonic response of the tip apex, we demonstrate deterministic arbitrary optical waveform control. In addition, the high efficiency of the nanofocusing tip provided by the continuous micro- to nanoscale mode transformation opens the door for spectroscopy of elementary optical excitations in matter on their natural length and time scales and enables applications from ultrafast nano-opto-electronics to single molecule quantum coherent control.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Convection-permitting hindcasting of diurnal variation of Mei-yu rainfall over East China with a global variable-resolution model

Two sets of 48-hr hindcast experiments for Mei-yu season using non-hydrostatic global variable-resolution model (MPAS-Atmosphere) with regional refinement at 4km resolution (V4km) and uniform 60km resolution (U60km) are first-time conducted to attempt at simulating the Mei-yu rainfall in 2015 over East China. The analysis focuses on the seasonal average of diurnal variation of precipitation amount (PA), intensity (PI), and frequency (PF). Both simulations reasonably reproduce the spatial distribution of PA. V4km is more skillful in simulating the spatial distributions and magnitudes of PF and PI. The diurnal cycle of Mei-yu rainfall shows a major early morning peak and a minor afternoon peak, contributed by precipitation during two sub-periods with distinct synoptic circulations. With strong Mei-yu in the first sub-period, the diurnal variation of PA is controlled by nocturnal southwesterly jet. V4km overestimates the morning peak mainly due to its bias in simulating boundary layer inertial oscillation. Although differences in PA between the simulations are small, U60km overestimates PF and underestimates PI. With weak Mei-yu in the second sub-period, the diurnal variation of PA is controlled by both synoptic circulation and local convection. At both resolutions, deviations in the large-scale circulation modulated by a few typhoons lead to positive biases in the morning peak of PA. After removing the typhoon impacts, V4km captures the observed diurnal cycle of PA well, while U60km significantly underestimates PA and PI particularly in the afternoon. Future studies focusing on advancing modeling of southwesterly jet and typhoons may further improve convection permitting simulation of Mei-yu rainfall.

Xu, Mingyue↗
DOE OSTI2010

Exotic Physics with ADMX

The Axion Dark Matter Experiment (ADMX) is an axion haloscope intended to search for local dark matter axions through their resonant conversion to microwave photons. As such, it is extremely sensitive to any particle that couples weakly to microwave photons. Preliminary results from a search for scalar chameleons and plans for a search for a two cavity search for hidden sector photons are discussed.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2012

Scale coupling in Richtmyer-Meshkov flows induced by strong shocks

We perform the first systematic study of the nonlinear evolution and scale coupling in Richtmyer-Meshkov (RM) flows induced by strong shocks. The smoothed particle hydrodynamics code (SPHC) is employed to ensure accurate shock capturing, interface tracking and accounting for the dissipation processes. We find that in strong-shock-driven RMI the background motion is supersonic. The amplitude of the initial perturbation strongly influences the flow evolution and the interfacial mixing that can be sub-sonic or supersonic. At late times the flow remains laminar rather than turbulent, and RM bubbles flatten and decelerate. In the fluid bulk, reverse cumulative jets appear and 'hot spots' are formed-local heterogeneous microstructures with temperature substantially higher than that in the ambient. Our numerical simulations agree with the zero-order, linear, weakly nonlinear, and highly nonlinear theoretical analyses as well as with the experiments and suggest that the evolution of RMI is a multi-scale and heterogeneous process with a complicated character of scale coupling.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗