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At least 1,765 records · Page 98
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Aerosol emissions from water-lean solvents for post-combustion CO 2 capture

Advanced water-lean solvents (WLS) for post-combustion CO 2 capture have been gaining interest due to their ability to reduce the parasitic penalty from energy needed for solvent regeneration. Commercial implementation of these novel CO 2 capture technologies hinges on successful control of amine emissions. RTI conducted a parametric study of fundamental and operational variables influence on overall amine aerosol and vapor emissions from our water-lean solvent eCO 2 Sol™ using our 6-kW equivalent bench-scale gas absorption system. The parametric testing used a simulated flue gas with 15 % CO 2 , 2.3–4.2 % H 2 O, and 0–6 ppm sulfite (SO 3 ) to examine the impact of the presence of aerosols to the capture performance and amine emissions from the system. The SO 3 reacts with water in the flue gas to create H 2 SO 4 , which forms liquid aerosol droplets and provide nucleation sites for growth of aerosols. Scanning Mobility Particle Sizer and Aerodynamic Particle Sizer instruments monitored the aerosol particle size distribution. Parametric testing results suggested that the presence of the aerosols in the flue gas could increase the overall amine emissions by 10X compared to the baseline emissions from WLS’s vapor pressure. Principal component analysis (PCA) and projection to latent squares (PLS) developed models to predict the aerosol-based amine emissions from process data. The predictive PLS model had a correlation coefficient (Q 2 ) of 0.92 and could predict the aerosol-based emissions from the NAS process with ±15 % accuracy (average absolute deviation, AAD). The PLS regression model also identified key variables affecting aerosol-based emissions from WLS.

42 ENGINEERING↗
DOE OSTI2020

Probabilistic Solar Power Forecasting Using Bayesian Model Averaging

There is rising interest in probabilistic forecasting to mitigate risks from solar power uncertainty, but the numerical weather prediction (NWP) ensembles readily available to system operators are often biased and underdispersed. We propose a Bayesian model averaging (BMA) post-processing method suitable for forecasting power from utility-scale photovoltaic (PV) plants at multiple time horizons up to at least the day-ahead timescale. BMA is a kernel dressing technique for NWP ensembles in which the forecast is a weighted sum of member-specific probability density functions. We tailor BMA for utility-scale PV forecasting by modeling power clipping at the AC inverter rating and advance the theory of BMA with a new beta kernel parameterization that accommodates theoretical constraints not previously addressed. BMA is demonstrated for a case study of 11 utility-scale PV plants in Texas, forecasting at hourly resolution for the complete year 2018. BMA's mixture-model approach mitigates underdispersion of the raw ensemble to significantly improve forecast calibration, while consistently outperforming an ensemble model output statistics (EMOS) parametric approach from the literature. At 4-hour lead time, the BMA post-processing achieves continuous ranked probability skill scores of 2--36% over the raw ensemble, with consistent performance at multiple lead times suitable for power system operations.

14 SOLAR ENERGY↗
DOE OSTI2015

Modeling the Dispersibility of Single Walled Carbon Nanotubes in Organic Solvents by Quantitative Structure-Activity Relationship Approach

Here, the knowledge of physico-chemical properties of carbon nanotubes, including behavior in organic solvents is very important for design, manufacturing and utilizing of their counterparts with improved properties. In the present study a quantitative structure-activity/property relationship (QSAR/QSPR) approach was applied to predict the dispersibility of single walled carbon nanotubes (SWNTs) in various organic solvents. A number of additive descriptors and quantum-chemical descriptors were calculated and utilized to build QSAR models. The best predictability is shown by a 4-variable model. The model showed statistically good results ( R 2 training = 0.797, Q 2 = 0.665, R 2 test = 0.807), with high internal and external correlation coefficients. Presence of the X0Av descriptor and its negative term suggest that small size solvents have better SWCNTs solubility. Mass weighted descriptor ATS6m also indicates that heavier solvents (and small in size) most probably are better solvents for SWCNTs. The presence of the Dipole Z descriptor indicates that higher polarizability of the solvent molecule increases the solubility. In conclusion, the developed model and contributed descriptors can help to understand the mechanism of the dispersion process and predictorganic solvents that improve the dispersibility of SWNTs.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS1994

Statistical mechanics in biology: how ubiquitous are long-range correlations?

The purpose of this opening talk is to describe examples of recent progress in applying statistical mechanics to biological systems. We first briefly review several biological systems, and then focus on the fractal features characterized by the long-range correlations found recently in DNA sequences containing non-coding material. We discuss the evidence supporting the finding that for sequences containing only coding regions, there are no long-range correlations. We also discuss the recent finding that the exponent alpha characterizing the long-range correlations increases with evolution, and we discuss two related models, the insertion model and the insertion-deletion model, that may account for the presence of long-range correlations. Finally, we summarize the analysis of long-term data on human heartbeats (up to 10(4) heart beats) that supports the possibility that the successive increments in the cardiac beat-to-beat intervals of healthy subjects display scale-invariant, long-range "anti-correlations" (a tendency to beat faster is balanced by a tendency to beat slower later on). In contrast, for a group of subjects with severe heart disease, long-range correlations vanish. This finding suggests that the classical theory of homeostasis, according to which stable physiological processes seek to maintain "constancy," should be extended to account for this type of dynamical, far from equilibrium, behavior.

Non-NASA Center↗
DOE OSTI2015

Characterizing the pressure smoothing scale of the intergalactic medium

The thermal state of the intergalactic medium (IGM) at z < 6 constrains the nature and timing of cosmic reionization events, but its inference from the Lyα forest is degenerate with the 3D structure of the IGM on ∼100 kpc scales, where, analogous to the classical Jeans argument, the pressure of the T ≃ 10{sup 4} K gas supports it against gravity. We simulate the IGM using smoothed particle hydrodynamics, and find that, at z < 6, the gas density power spectrum does not exhibit the expected filtering scale cutoff, because dense gas in collapsed halos dominates the small-scale power masking pressure smoothing effects. We introduce a new statistic, the real-space Lyα flux, F{sub real}, which naturally suppresses dense gas, and is thus robust against the poorly understood physics of galaxy formation, revealing pressure smoothing in the diffuse IGM. The F{sub real} power spectrum is accurately described by a simple fitting function with cutoff at λ{sub F}, allowing us to rigorously quantify the pressure smoothing scale for the first time: we find λ{sub F} = 79 kpc (comoving) at z = 3 for our fiducial thermal model. This statistic has the added advantage that it directly relates to observations of correlated Lyα forest absorption in close quasar pairs, recently proposed as a method to measure the pressure smoothing scale. Our results enable one to quantify the pressure smoothing scale in simulations, and ask meaningful questions about its dependence on reionization and thermal history. Accordingly, the standard description of the IGM in terms of the amplitude T{sub 0} and slope γ of the temperature–density relation T=T{sub 0}(ρ/ ρ-bar ){sup γ−1} should be augmented with a third pressure smoothing scale parameter λ{sub F}.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Optimizing Prediction Error for Time-dependent Solar Radiation Modeling

Numerical weather forecasting models and statistical methods have found wide use to help power companies estimate renewable output, but better methods are needed, particularly for extended forecasts. Machine learning approaches have been used here as well, but so far a major limitation is the ability to also predict the corresponding uncertainty in a forecast. Here we show that both can be done and demonstrate this using a long-term-short memory neural network where the difference between predicted and ground truth data are used to train a model for the corresponding forecast uncertainties.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

FACETS Dynamical Downscaling Simulations over North America by the CAM-MPAS Variable-Resolution Model

Comprehensive assessment of climate datasets created by statistical or dynamical models is important for effectively communicating model projection and associated uncertainty to stakeholders and decision-makers. The Department of Energy FACETS project aims to foster such communication through development of metrics and their demonstration on a hierarchy of downscaled climate datasets to quantify aspects of climate change projections that are credible, particularly for supporting decisions related to the energy-water-land nexus. As a part of this effort, we have produced a regional climate dataset using the Model for Prediction Across Scales coupled to the Community Atmosphere Model (CAM-MPAS). This global modeling framework is configured with variable-resolution meshes featuring higher resolutions over North America, as well as quasi-uniform resolution meshes across the globe. The variable-resolution configurations allow fine-scale features to be better resolved inside the refinement and interact with global-scale circulations. The dataset includes multiple uniform- (240km and 120km) and variable-resolution (200-50km, 100-25km, and 46-12km) simulations that are designed to be compatible with other regional climate simulations that contribute to the hierarchy of downscaled climate datasets of the project. Furthermore, the dataset consists of simulations for both the present-day (1989-2010) and future (2079-2100) climate and post-processing of the model output has been coordinated across the project for consistency to facilitate common analysis across the hierarchy of datasets. Altogether, this CAM-MPAS model dataset provides a unique opportunity to assess the influence of resolutions and modeling framework on model credibility and climate change projection.

Sakaguchi, Koichi↗
DOE OSTI2023

$\Sigma (1385)^{\pm }$ resonance production in Pb–Pb collisions at $\sqrt{s_{\textrm{NN}}} = 5.02$ TeV

Hadronic resonances are used to probe the hadron gas produced in the late stage of heavy-ion collisions since they decay on the same timescale, of the order of 1–10 fm/c, as the decoupling time of the system. In the hadron gas, (pseudo)elastic scatterings among the products of resonances that decayed before the kinetic freeze-out and regeneration processes counteract each other, the net effect depending on the resonance lifetime, the duration of the hadronic phase, and the hadronic cross sections at play. In this context, the Σ(1385) ± particle is of particular interest as models predict that regeneration dominates over rescattering despite its relatively short lifetime of about 5.5 fm/c. The first measurement of the Σ(1385) ± resonance production at midrapidity in Pb–Pb collisions at $\sqrt{s_{NN}}$=5.02 TeV with the ALICE detector is presented in this Letter. The resonances are reconstructed via their hadronic decay channel, Λπ, as a function of the transverse momentum (p T ) and the collision centrality. The results are discussed in comparison with the measured yield of pions and with expectations from the statistical hadronization model as well as commonly employed event generators, including PYTHIA8/Angantyr and EPOS3 coupled to the UrQMD hadronic cascade afterburner. None of the models can describe the data. For Σ(1385) ± , a similar behaviour as K*(892) 0 is observed in data unlike the predictions of EPOS3 with afterburner.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2016

Theory of Alike Selectivity in Biological Channels

We introduce a statistical mechanical model of the selectivity filter that accounts for the interaction between ions within the channel and derive Eisenman equation of the filter selectivity directly from the condition of barrier-less conduction.

alike selectivity↗
NASA NTRSDate not supplied

Evaluation of the Maximum Soluble Water Recovery from Pretreated Urine Brines in Low Earth Orbit

The Urine Processor Assembly (UPA) on the International Space Station recovers water from pretreated urine by thin-film, vacuum compression distillation (VCD). A number of iterative improvements to the distiller assembly (DA) have enabled increases in on-orbit water recovery and improved distillate water quality at on-orbit recoveries up to 87% by volume relative to the volume of pretreated urine. The phosphoric acid-based pretreatment formulation has enabled these higher recoveries on-orbit since May of 2016. Application of simple empirical chemistry models have allowed water recovery of sulfuric-acid pretreated urine from the Russian Orbiting segment to be distilled with phosphoric acid pretreated urine from the U.S. Orbiting Segment. Returned liquid brine from brine filters in the UPA brine loop have enabled empirical measurement of gypsum solubility as a function of recovery, conductivity, or mass density in the real brines of ISS. Calculations of maximum soluble recovery, MSR, are based on preventing the precipitation of gypsum, which is the first mineral to precipitate for both types of pretreated urine. A statistical urine model of urine composition provides an estimate of worst-case urine from a crew of three during one year of operations on ISS. The MSR is defined based on the worst-case concentrations of urinary calcium and urinary sulfate that are pretreated, pooled, and distilled. The potential to increase water recoveries above 87% without gypsum precipitation are evaluated. The potential benefits and costs of the addition of a conductivity sensor or a Coriolis mass flow meter to the brine loop are evaluated.

Dean L Muirhead↗
DOE OSTI2021

Constraining the hadronic spectrum and repulsive interactions in a hadron resonance gas via fluctuations of conserved charges

We simultaneously incorporate two common extensions of the hadron resonance gas model, namely the addition of extra, unconfirmed resonances to the particle list and the excluded volume repulsive interactions. We emphasize the complementary nature of these two extensions and identify combinations of conserved charge susceptibilities that allow to constrain them separately. In particular, ratios of second-order susceptibilities like $\chi_{11}^{BQ}/\chi_2^B$ and $\chi_{11}^{BS}/\chi_2^B$ are sensitive only to the baryon spectrum, while fourth-to-second order ratios like $\chi_4^B/\chi_2^B$, $\chi_{31}^{BS}/\chi_{11}^{BS}$, or $\chi_{31}^{BQ}/\chi_{11}^{BQ}$ are mainly determined by repulsive interactions. Analysis of the available lattice results suggests the presence of both the extra states in the baryon-strangeness sector and the repulsive baryonic interaction, with indications that hyperons have a smaller repulsive core than non-strange baryons. Furthermore, the modified hadron resonance gas model presented here significantly improves the description of lattice QCD susceptibilities at chemical freeze-out and can be used for the analysis of event-by-event fluctuations in heavy-ion collisions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1997

Towards Inner Magnetosphere Particle and Field Models

We report on the initial stages of an effort to construct comprehensive empirical models of the plasma and fields in the inner magnetosphere. The models are based not only on archival data (e.g., SCATHA) but also on current spacecraft mission data (e.g., POLAR). In this component of the effort, we incorporate the recently archived data provided by the SCATRA (Spacecraft Charging AT High Altitude) satellite. The SCAT14A satellite was in a near-geostationary orbit and was in operation for more than a decade. In this paper, we focus on the SCATRA plasma and magnetic field data from approximately the first two years of operation. The time-series data are binned according to spatial location and geomagnetic activity. Examples of statistical, empirical models from this initial effort are presented; even the simply-constructed preliminary models reveal such subtle features as the previously reported warm (greater than 100 eV) plasma density enhancement near the magnetic equator.

Spence, H. E.↗
NASA NTRS1994

A statistical equilibrium analysis of interstellar CO toward zeta Ophiuchi as recorded by the Goddard High Resolution Spectrograph

High-resolution and high signal-to-noise ratio echelle observations made by the Goddard High Resolution Spectrograph (GHRS), aboard the Hubble Space Telescope, of molecular (12)C(16)O and (13)C(16)O in the absorbing gas toward zeta Oph are reported. A statistical equilibrium model, incorporating a different way of dealing with the radiation field in the interstellar clouds, is presented. Based upon previous observations, two velocity components of the gas at V(sub LSR) = - 0.79 and 0.39 km/s, corresponding to solar velocity = -14.6 and -13.4 km/s, together with three different sets of velocity dispersions are adopted in our models. The ratios of the computed emergent intensities (I(sub em)) resulting from the emission lines in the lowest transitions (J = 1 goes to 0, 2 goes to 1, 3 goes to 2) of ground state of CO are presented. The ratios for the two velocity components, (I(sub em)(1 goes to 0)(sub 1))/(I(sub em)(1 goes to 0)(sub 2)), and (I(sub em)(2 goes to 1)(sub 1))/I(sub em)(1 goes to 0)(sub 1)) are comparable to the observed corrected antenna temperature ratios. From the solutions to the statistical equilibrium equations including the six lowest rotational transitions of CO and from multiple Voigt profile fits, the observed (12)CO and (13)CO UV abroption features are successfully reproduced. Profile fitting and double cloud curve-of-growth analysis using the GHRS and Copernicus data indicate that the abundance of CO is (1.8 +/- 0.2) x 10(exp 15)/sq cm. The most recently measured wavelength of the (6 goes to 0) (13)CO band by Haridass & Huber (R(0) = 1370.616 A) shows that the tentative (13)CO features in the GHRS data are unquestionably identified. If there is no blending from any other unknown interstellar species, the isotope ratio of (12)CO/(13)CO is approximately 82 +/- 25. This result is close to the terrestrial value of 90 and implies that the CO is not substantially fractionated, and (12)C(16)O experiences little preferential self-shielding through the selective isotopic photodissociation process. This conclusion differs strongly with that of Sheffer et al. Other implications of the results are discussed.

Lyu, Cheng-Hsuan↗
DOE OSTI2015

Earthquakes clustering based on the magnitude and the depths in Molluca Province

In this paper, we present a model to classify the earthquakes occurred in Molluca Province. We use K-Means clustering method to classify the earthquake based on the magnitude and the depth of the earthquake. The result can be used for disaster mitigation and for designing evacuation route in Molluca Province.

58 GEOSCIENCES↗
DOE OSTI2013

SOLAR NEUTRINO PHYSICS OSCILLATIONS: SENSITIVITY TO THE ELECTRONIC DENSITY IN THE SUN'S CORE

Solar neutrinos coming from different nuclear reactions are now detected with high statistics. Consequently, an accurate spectroscopic analysis of the neutrino fluxes arriving on Earth's detectors becomes available, in the context of neutrino oscillations. In this work, we explore the possibility of using this information to infer the radial profile of the electronic density in the solar core. So, we discuss the constraints on the Sun's density and chemical composition that can be determined from solar neutrino observations. This approach constitutes an independent and alternative diagnostic to the helioseismic investigations already done. The direct inversion method, which we propose to obtain the radial solar electronic density profile, is almost independent of the solar model.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2015

Sensitivity of Simulated Global Ocean Carbon Flux Estimates to Forcing by Reanalysis Products

Reanalysis products from MERRA, NCEP2, NCEP1, and ECMWF were used to force an established ocean biogeochemical model to estimate air-sea carbon fluxes (FCO2) and partial pressure of carbon dioxide (pCO2) in the global oceans. Global air-sea carbon fluxes and pCO2 were relatively insensitive to the choice of forcing reanalysis. All global FCO2 estimates from the model forced by the four different reanalyses were within 20% of in situ estimates (MERRA and NCEP1 were within 7%), and all models exhibited statistically significant positive correlations with in situ estimates across the 12 major oceanographic basins. Global pCO2 estimates were within 1% of in situ estimates with ECMWF being the outlier at 0.6%. Basin correlations were similar to FCO2. There were, however, substantial departures among basin estimates from the different reanalysis forcings. The high latitudes and tropics had the largest ranges in estimated fluxes among the reanalyses. Regional pCO2 differences among the reanalysis forcings were muted relative to the FCO2 results. No individual reanalysis was uniformly better or worse in the major oceanographic basins. The results provide information on the characterization of uncertainty in ocean carbon models due to choice of reanalysis forcing.

MERRA↗