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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Distinct Gas-Particle Partitioning and Viscosity Characteristics of Secondary Organic Aerosols Derived from α-Pinene versus Ocimene

Secondary organic aerosols (SOA) have complex, multicomponent composition that controls particle viscosity and gas-particle partitioning, key factors to their atmospheric evolution. This study investigates the chemical composition, volatility and viscosity of SOA formed by ozonolysis of cyclic α-pinene (PSOA) and acyclic ocimene (OSOA) monoterpenes. Using Temperature-Programmed Desorption combined with Direct Analysis in Real-Time ionization and High-Resolution Mass Spectrometry, we determined the molecular composition and saturation mass concentration of individual SOA constituents. These data enabled gas-particle partitioning and viscosity estimates under varied atmospheric conditions. PSOA, composed of higher molecular weight and less oxidized species, shows higher condensability and viscosity under high total organic mass (tOM) loadings. Here, in contrast, OSOA, consisting of more oxidized, lower molecular weight species, exhibits greater sensitivity to tOM, with viscosity increasing significantly upon dilution. Poke-flow experiments support this trend, indicating that OSOA undergoes more dynamic compositional and phase changes during atmospheric aging. These observations reveal distinct dynamic trends in the atmospheric transformations and reactivity of SOA from cyclic and acyclic monoterpenes, with the latter showing greater compositional changes during aging that alter viscosity and diffusion. This highlights the importance of incorporating such dynamic transformations into atmospheric models to improve predictions of SOA atmospheric loadings, lifetimes, and impacts.

cyclic and acyclic monoterpenes↗
DOE OSTI2012

Wave resonances and the partition of energy in ideal compressible magnetohydrodynamic fluids

Phase mixing and resonant absorption are two processes that have been under scrutiny for some time because of their role in wave damping and in providing a mechanism for heating space and laboratory plasmas. The accumulation or absorption of energy that develops within a resonant layer is usually attributed to a logarithmic singularity, but it will be shown that this build up of energy is inextricably tied to a discontinuity in the fluid displacement at the resonant point. This change in the dynamics of the problem will be examined by establishing a partition of energy that identifies and isolates the individual resonances within the fluid. The partition is based on a variational description of the Fourier transformed equations and is guided by an electrical model of the MHD system that not only illustrates the resonant structure threading the fluid but also exposes the mechanism driving the resonant absorption process. A simplified version of this model is then constructed to help determine the approximate rate of energy absorption.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Energy partition, γ-ray emission, and radiation reaction in the near-quantum electrodynamical regime of laser-plasma interaction

When extremely intense lasers (I ≥ 10{sup 22} W/cm{sup 2}) interact with plasmas, a significant fraction of the pulse energy is converted into photon emission in the multi-MeV energy range. This emission results in a radiation reaction (RR) force on electrons, which becomes important at ultrahigh intensities. Using three-dimensional particle-in-cell simulations which include a quantum electrodynamics model for the γ–photons emission, the corresponding RR force and electron-positron pair creation, the energy partition in the laser-plasma system is investigated. At sufficiently high laser amplitudes, the fraction of laser energy coupled to electrons decreases, while the energy converted to γ-photons increases. The interaction becomes an efficient source of γ-rays when I > 10{sup 24} W/cm{sup 2}, with up to 40% of the laser energy converted to high-energy photons. A systematic study of energy partition and γ-photon emission angle shows the influence of laser intensity and polarization for two plasma conditions: high-density carbon targets and a low-density hydrogen targets. We find that in the opaque region, the laser-to-photon conversion efficiency scales as I{sub 0}{sup 3/2} for linearly polarized and I{sub 0}{sup 2−2.5} for circularly polarized lasers, respectively. In the relativistically transparent regime, the power-laws merge into I{sub 0}{sup 1/2} for both polarizations and photon emission peaks in the forward direction with a relatively small divergence angle (<20°), resulting in a collimated γ-ray beam.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Deriving the Hirshfeld partitioning using distance metrics

The atoms in molecules associated with the Hirshfeld partitioning minimize the generalized Hellinger-Bhattacharya distance to the reference pro-atom densities. Moreover, the reference pro-atoms can be chosen by minimizing the distance between the pro-molecule density and the true molecular density. This provides an alternative to both the heuristic “stockholder” and the mathematical information-theoretic interpretations of the Hirshfeld partitioning. These results extend to any member of the family of f-divergences.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Study of Cu and Pb partitioning in mine tailings using the Tessier sequential extraction scheme

The Cu and Pb partitioning in nonferrous mine tailings was investigated using the Tessier sequential extraction scheme. The contents of Cu and Pb found in the five operationally defined fractions were determined by inductively coupled plasma optical emission spectrometry. The results showed different partitioning patterns for Cu and Pb in the studied tailings. The total Cu and Pb contents were higher in tailings from Brazesti than in those from Saliste, while the Cu contents in the first two fractions considered as mobile were comparable and the content of mobile Pb was the highest in Brazesti tailings. In the tailings from Saliste about 30% of Cu and 3% of Pb were found in exchangeable fraction, while in those from Brazesti no metals were found in the exchangeable fraction, but the percent of Cu and Pb found in the bound to carbonate fraction were high (20% and 26%, respectively). The highest Pb content was found in the residual fraction in Saliste tailings and in bound to Fe and Mn oxides fraction in Brazesti tailings, while the highest Cu content was found in the fraction bound to organic matter in Saliste tailings and in the residual fraction in Brazesti tailings. In case of tailings of Brazesti medium environmental risk was found both for Pb and Cu, while in case of Saliste tailings low risk for Pb and high risk for Cu were found.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Simple partitions of a hyperbolic plane of positive curvature

We construct special monohedral isotropic partitions with symmetries of the hyperbolic plane H of positive curvature with a simple 4-contour as a cell. An analogue of mosaic in these partitions called a tiling is introduced. Also we consider some fractal tilings. The existence of band tilings in each homological series with code (m, n) is proved. Bibliography: 14 titles.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Contingency Analysis Based on Partitioned and Parallel Holomorphic Embedding

In the steady-state contingency analysis, the traditional Newton-Raphson method suffers from non-convergence issues when solving post-outage power flow problems, which hinders the integrity and accuracy of security assessment. In this paper, we propose a novel robust contingency analysis approach based on holomorphic embedding (HE). Here, the HE-based simulator provides theoretical convergence guarantee, which is desirable because it avoids the influence of numerical issues and provides a credible security assessment conclusion. In addition, based on the multi-area characteristics of real-world power systems, a partitioned HE (PHE) method is proposed with an interfacebased partitioning of HE formulation. The PHE method does not undermine the numerical robustness of HE and significantly reduces the computation burden in large-scale contingency analysis. The PHE method is further enhanced by parallel or distributed computation to become parallel PHE (P2HE). Tests on a 458-bus system, a synthetic 419-bus system and a large-scale 21447-bus system demonstrate the advantages of the proposed methods in robustness and efficiency.

42 ENGINEERING↗
DOE OSTI2020

Functional and genetic markers of niche partitioning among enigmatic members of the human oral microbiome

Abstract Introduction Microbial residents of the human oral cavity have long been a major focus of microbiology due to their influence on host health and intriguing patterns of site specificity amidst the lack of dispersal limitation. However, the determinants of niche partitioning in this habitat are yet to be fully understood, especially among taxa that belong to recently discovered branches of microbial life. Results Here, we assemble metagenomes from tongue and dental plaque samples from multiple individuals and reconstruct 790 non-redundant genomes, 43 of which resolve to TM7, a member of the Candidate Phyla Radiation, forming six monophyletic clades that distinctly associate with either plaque or tongue. Both pangenomic and phylogenomic analyses group tongue-specific clades with other host-associated TM7 genomes. In contrast, plaque-specific TM7 group with environmental TM7 genomes. Besides offering deeper insights into the ecology, evolution, and mobilome of cryptic members of the oral microbiome, our study reveals an intriguing resemblance between dental plaque and non-host environments indicated by the TM7 evolution, suggesting that plaque may have served as a stepping stone for environmental microbes to adapt to host environments for some clades of microbes. Additionally, we report that prophages are widespread among oral-associated TM7, while absent from environmental TM7, suggesting that prophages may have played a role in adaptation of TM7 to the host environment. Conclusions Our data illuminate niche partitioning of enigmatic members of the oral cavity, including TM7, SR1, and GN02, and provide genomes for poorly characterized yet prevalent members of this biome, such as uncultivated Flavobacteriaceae.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2013

Carbon partitioning in sugarcane (Saccharum species)

Focus has centered on C-partitioning in stems of sugarcane (Saccharum sp.) due to their high-sucrose accumulation features, relevance to other grasses, and rising economic value. Here we review how sugarcane balances between sucrose storage, respiration, and cell wall biosynthesis.The specific topics involve (1) accumulation of exceptionally high sucrose levels (up to over 500 mM), (2) a potential, turgor-sensitive system for partitioning sucrose between storage inside (cytosol and vacuole) and outside cells, (3) mechanisms to prevent back-flow of extracellular sucrose to xylem or phloem, (4) apparent roles of sucroseP-synthase in fructose retrieval and sucrose re-synthesis, (5) enhanced importance of invertases, and (6) control of C-flux at key points in cell wall biosynthesis (UDP-glucose dehydrogenase) and respiration (ATP- and pyrophosphate-dependent phosphofructokinases). A combination of emerging technologies is rapidly enhancing our understanding of these points and our capacity to shift C-flux between sucrose, cell wall polymers, or other C-sinks.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2013

Evaluation of CLM4 Solar Radiation Partitioning Scheme Using Remote Sensing and Site Level FPAR Datasets

This paper examines a land surface solar radiation partitioning scheme, i.e., that of the Community Land Model version 4 (CLM4) with coupled carbon and nitrogen cycles. Taking advantage of a unique 30-year fraction of absorbed photosynthetically active radiation (FPAR) dataset derived from the Global Inventory Modeling and Mapping Studies (GIMMS) normalized difference vegetation index (NDVI) data set, multiple other remote sensing datasets, and site level observations, we evaluated the CLM4 FPAR ’s seasonal cycle, diurnal cycle, long-term trends and spatial patterns. These findings show that the model generally agrees with observations in the seasonal cycle, long-term trends, and spatial patterns, but does not reproduce the diurnal cycle. Discrepancies also exist in seasonality magnitudes, peak value months, and spatial heterogeneity. Here, we identify the discrepancy in the diurnal cycle as, due to, the absence of dependence on sun angle in the model. Implementation of sun angle dependence in a one-dimensional (1-D) model is proposed. The need for better relating of vegetation to climate in the model, indicated by long-term trends, is also noted. Evaluation of the CLM4 land surface solar radiation partitioning scheme using remote sensing and site level FPAR datasets provides targets for future development in its representation of this naturally complicated process.

58 GEOSCIENCES↗
NASA NTRS2021

Snow Reconciles Observed and Simulated Phase Partitioning and Increases Cloud Feedback

The surprising increase of Earth's climate sensitivity in the most recent Coupled Model Intercomparison Project (CMIP) models has been largely attributed to extratropical cloud feedback, which is thought to be driven by greater supercooled water in present-day cloud phase partitioning (CPP). Here we report that accounting for precipitation in the Goddard Institute for Space Studies ModelE3 radiation scheme, neglected in more than 60% of CMIP6 and 90% of CMIP5 models, systematically changes its apparent CPP and substantially increases its cloud feedback, consistent with results using CMIP models. Including precipitation in the comparison with Cloud–Aerosol Lidar and Infrared Pathfinder Satellite Observations (CALIPSO) measurements and in model radiation schemes is essential to faithfully constrain cloud amount and phase partitioning, and simulate cloud feedbacks. Our findings suggest that making radiation schemes precipitation-aware (missing in most CMIP6 models) should strengthen their positive cloud feedback and further increase their already high mean climate sensitivity.

Earth's climate sensitivity↗
DOE OSTI2017

Effect of Unsaturated Flow Modes on Partitioning Dynamics of Gravity-Driven Flow at a Simple Fracture Intersection: Laboratory Study and Three-Dimensional Smoothed Particle Hydrodynamics Simulations

In this work, we study unsaturated gravity-driven free-surface flows on a synthetic surface intersected by a horizontal fracture and the importance of flow modes (droplet; rivulet) on the partitioning behavior at the fracture intersection. We present laboratory experiments, three-dimensional smoothed particle hydrodynamics (SPH) simulations using a heavily parallelized code, and an analytical solution. The flow-rate-dependent mode switching from droplets to rivulets is reproduced by the SPH model, and the transition ranges agree with the laboratory experiments. We show that flow modes heavily influence the bypass behavior. Flows favoring the formation of droplets exhibit a much stronger bypass capacity compared to rivulet flows, where nearly the whole fluid mass is initially stored within the horizontal fracture. This behavior is demonstrated for a multi-inlet laboratory setup where the inlet- specific flow rate is chosen so that either a droplet or rivulet flow persists. The effect of fluid buffering within the horizontal fracture is presented in terms of dimensionless fracture in- flow so that characteristic scaling regimes can be recovered. For both cases (rivulets and droplets), the flow within the horizontal fracture transitions into a Washburn regime until a critical threshold is reached and the bypass efficiency increases. For rivulet flows, the initial filling of the horizontal fracture is described by classical plug flow. Meanwhile, for droplet flows, a size-dependent partitioning behavior is observed, and the filling of the fracture takes longer. For the case of rivulet flow, we provide an analytical solution that demonstrates the existence of classical Washburn flow within the horizontal fracture.

unsaturated flow, fractured media, smoothed partic↗
DOE OSTI2024

Multi‐Stage Optimization of Pore Size and Shape in Pore‐Space‐Partitioned Metal–Organic Frameworks for Highly Selective and Sensitive Benzene Capture

Abstract Compared to exploratory development of new structure types, pushing the limits of isoreticular synthesis on a high‐performance MOF platform may have higher probability of achieving targeted properties. Multi‐modular MOF platforms could offer even more opportunities by expanding the scope of isoreticular chemistry. However, navigating isoreticular chemistry towards best properties on a multi‐modular platform is challenging due to multiple interconnected pathways. Here on the multi‐modular pacs (partitioned acs) platform, we demonstrate accessibility to a new regime of pore geometry using two independently adjustable modules (framework‐forming module 1 and pore‐partitioning module 2). A series of new pacs materials have been made. Benzene/cyclohexane selectivity is tuned, progressively, from 4.5 to 15.6 to 195.4 and to 482.5 by pushing the boundary of the pacs platform towards the smallest modules known so far. The exceptional stability of these materials in retaining both porosity and single crystallinity enables single‐crystal diffraction studies of different crystal forms (as‐synthesized, activated, guest‐loaded) that help reveal the mechanistic aspects of adsorption in pacs materials.

Chen, Yichong↗
DOE OSTI2024

Multi–Stage Optimization of Pore Size and Shape in Pore–Space–Partitioned Metal–Organic Frameworks for Highly Selective and Sensitive Benzene Capture

Compared to exploratory development of new structure types, pushing the limits of isoreticular synthesis on a high-performance MOF platform may have higher probability of achieving targeted properties. Multi-modular MOF platforms could offer even more opportunities by expanding the scope of isoreticular chemistry. However, navigating isoreticular chemistry towards best properties on a multi-modular platform is challenging due to multiple interconnected pathways. Here on the multi-modular pacs (partitioned acs) platform, we demonstrate accessibility to a new regime of pore geometry using two independently adjustable modules (framework-forming module 1 and pore-partitioning module 2). A series of new pacs materials have been made. Benzene/cyclohexane selectivity is tuned, progressively, from 4.5 to 15.6 to 195.4 and to 482.5 by pushing the boundary of the pacs platform towards the smallest modules known so far. The exceptional stability of these materials in retaining both porosity and single crystallinity enables single-crystal diffraction studies of different crystal forms (as-synthesized, activated, guest-loaded) that help reveal the mechanistic aspects of adsorption in pacs materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Overexpression of plasma membrane SUT1 in poplar alters lateral sucrose partitioning in stem and promotes leaf necrosis

Abstract In Populus and many other tree species, photoassimilate sucrose diffuses down a concentration gradient via symplastically connected mesophyll cells to minor vein phloem for long‐distance transport. There is no evidence for apoplastic phloem‐loading in Populus . However, plasma membrane sucrose transporters (SUT1 and SUT3) orthologous to those associated with apoplastic phloem loading are expressed in vascular tissues of poplar. While SUT3 functions in sucrose import into developing xylem, the role of SUT1 remains unclear. Here, we overexpressed PtaSUT1 in Populus tremula x P. alba to examine the effects on sucrose partitioning in transgenic plants. Overall leaf sucrose levels were similar between wild type and transgenic lines. Stem sucrose levels were not changed in bark but were significantly reduced in the adjacent xylem, suggesting hindered intercellular sucrose trafficking from the phloem to the developing xylem. Fully expanded leaves of transgenic plants deteriorated prematurely with declining photosynthesis prior to severe necrotic spotting. Necrotic spotting advanced most rapidly in the distal portion of mature leaves and was accompanied by sharp hexose increases and sharp sucrose decreases there. Leaf transcriptome profiling and network inference revealed the down‐regulation of copper proteins and elevated expression of copper microRNAs prior to noticeable leaf injury. Our results suggest ectopic expression of PtaSUT1 altered sucrose partitioning in stems with systemic effects on leaf health and copper homeostasis mediated in part by sucrose‐sensitive copper miRNAs.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

NS5-brane backgrounds and coset CFT partition functions

Worldsheet string theory is solvable for a variety of backgrounds involving Neveu-Schwarz fivebranes, in terms of gauged nonlinear sigma models on group manifolds. We compute the worldsheet torus partition function of these models, and propose gauging of null isometries as a unifying principle and conceptual framework for this large family of string backgrounds. In the process, we explain how partition functions of asymmetrically gauged Wess-Zumino-Witten models can be computed from the path integral, and organize and systematize various results scattered throughout the literature.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

High-temperature expansion of supersymmetric partition functions

Di Pietro and Komargodski have recently demonstrated a four-dimensional counterpart of Cardy’s formula, which gives the leading high-temperature (β → 0) behavior of supersymmetric partition functions Z SUSY (β). By focusing on superconformal theories, we elaborate on the subleading contributions to their formula when applied to free chiral and U(1) vector multiplets. In particular, we see that the high-temperature expansion of ln Z SUSY (β) terminates at order β 0 . We also demonstrate how their formula must be modified when applied to SU(N) toric quiver gauge theories in the planar (N → ∞) limit. Our method for regularizing the one-loop determinants of chiral and vector multiplets helps to clarify the relation between the 4d N=1 superconformal index and its corresponding supersymmetric partition function obtained by path-integration.

1/N Expansion↗
DOE OSTI2016

Computing black hole partition functions from quasinormal modes

We propose a method of computing one-loop determinants in black hole space-times (with emphasis on asymptotically anti-de Sitter black holes) that may be used for numerics when completely-analytic results are unattainable. The method utilizes the expression for one-loop determinants in terms of quasinormal frequencies determined by Denef, Hartnoll and Sachdev in [1]. A numerical evaluation must face the fact that the sum over the quasinormal modes, indexed by momentum and overtone numbers, is divergent. A necessary ingredient is then a regularization scheme to handle the divergent contributions of individual fixed-momentum sectors to the partition function. To this end, we formulate an effective two-dimensional problem in which a natural refinement of standard heat kernel techniques can be used to account for contributions to the partition function at fixed momentum. We test our method in a concrete case by reproducing the scalar one-loop determinant in the BTZ black hole background. Furthermore, we then discuss the application of such techniques to more complicated spacetimes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗