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At least 1,171 records · Page 65

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DOE OSTI2025

Degradation and Accelerated Recovery of Surface Passivation in n+, p+, and Intrinsic Poly-Si/SiOx Passivating Contacts for Silicon Solar Cells

We report on the degradation and recovery of surface passivation of fired poly-Si/SiOx passivating contacts with hydrogen containing Al2O3 during annealing in the dark and under illumination. Upon firing to a peak temperature of 670 degrees C, the iVoc for symmetric test structures with n+, p+, and intrinsic poly-Si/SiOx contacts decreases due to a loss of surface passivation. Upon further annealing over the temperature range of 200-350 degrees C in the dark, depending on the type of doping, the surface passivation either shows further degradation followed by recovery, or direct recovery to the initial iVoc. Annealing at higher temperatures and/or higher illumination intensities accelerates the kinetics for both degradation and recovery processes. We show that the degradation and recovery processes are thermally activated and proceed identically in subsequent firing and annealing steps showing their cyclic nature. We present a series reaction model to explain the kinetics of degradation and recovery processes for n+ and intrinsic poly-Si/SiOx contacts. By fitting the model's rate expressions to the data, the determined effective activation energy barriers for degradation and recovery for n+ poly-Si/SiOx contacts in the dark are 1.24 and 1.51 eV, which are lowered under 7.5 Suns illumination to 0.76 and 1.15 eV, respectively.

14 SOLAR ENERGY↗

DOE OSTI2018

Modeling the immune response to HIV infection

The interplay between immune response and HIV is intensely studied via mathematical modeling, with significant insights but few direct answers. Here in this short review, we highlight advances and knowledge gaps across different aspects of immunity. In particular, we identify the innate immune response and its role in priming the adaptive response as ripe for modeling. The latter have been the focus of most modeling studies, but we also synthesize key outstanding questions regarding effector mechanisms of cellular immunity and development of broadly neutralizing antibodies. Thus far, most modeling studies aimed to infer general immune mechanisms; we foresee that significant progress will be made next by detailed quantitative fitting of models to data, and prediction of immune responses.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2019

Anisotropic structural dynamics of monolayer crystals revealed by femtosecond surface X-ray scattering

Ultrafast X-ray scattering is one of the primary tools to track intrinsic crystallographic evolution with atomic accuracy in real time. However, its application to study nonequilibrium structural properties at the two-dimensional limit remains a long-standing challenge due to a significant reduction of diffraction volume and complexity of data analysis. Here, we report femtosecond surface X-ray diffraction in combination with crystallographic model-refinement calculations to quantify the ultrafast structural dynamics of monolayer WSe 2 crystals supported on a substrate. We found the absorbed optical photon energy is preferably coupled to the in-plane lattice vibrations within one picosecond whereas the out-of-plane lattice vibration amplitude remains unchanged during the first ten picoseconds. The model-assisted fitting suggests an asymmetric intralayer spacing change upon excitation. The observed nonequilibrium anisotropic structural dynamics agrees with first-principles modelling in both real and momentum space, marking the distinct structural dynamics of monolayer crystals from their bulk counterparts.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2022

Tunable polyvinyl chloride (PVC) and thermoplastic polyurethane (TPU)-based soft polymer gel sensors

Abstract Polyvinyl chloride (PVC) gels have recently been found to exhibit mechanoelectrical transduction under mechanical deformation. These mechanoelectrical properties of PVC gels are largely uncharacterized and the underlying transduction mechanisms are currently unknown. These soft electroactive polymers have tunable properties such as modulus and response voltage based on physical dimensions and the amount of plasticizer content within the material making them ideal candidates for complaint sensors. This study aims to investigate PVC gels comprised of various plasticizers to further investigate underlying mechanisms of mechanoelectrical transduction and broaden possible sensing applications. Plasticizers used in this study include dibutyl adipate, dibutyl phthalate, dioctyl phthalate, otherwise known as bis(2-ethylhexyl) phthalate, diisodecyl adipate, and the environmentally friendly biodegradable plasticizer acetyl tributyl citrate (ATBC). ATBC is often used in cosmetics and food packaging applications and is even used as a food additive which may lead to future biocompatibility for these gel sensors. These plasticizers are used to produce PVC gel sensors that are experimentally tested for mechanoelectrical transduction properties and sensing performance. In this study, a Langmuir adsorptive model is fit to the collected mechanoelectrical transduction data. These results are also nondimensionalized and compared to the characteristic dimensionless Langmuir adsorptive model. This simple model agrees very well with the experimental data. Additionally, a study on the mechanoelectrical transduction of an alternative polymer lattice structure, thermoplastic polyurethane (TPU), is discussed. This is a novel electroactive polymer investigated for mechanoelectrical transduction properties. This portion of the study aims to further knowledge of underlying mechanisms of mechanoelectrical transduction as well as show feasibility of additional lattices for soft polymer gel sensors. These TPU gel sensors show strikingly similar mechanoelectrical transduction properties to analogous PVC gels, insinuating that the polymer structure has a limited role in the underlying sensing mechanism and PVC itself is not unique to polymer gel sensing. The TPU-based soft polymer gel sensors however do display some level of mechanoelectrical hysteresis which may be attributed to viscoelastic properties and display a small amount of fatigue possibly due to exudation of liquid plasticizer. This study provides further characterization of mechanoelectrical response for varying plasticizers, provides a theoretical framework for underlying mechanisms, and displays the potential for further polymeric gel sensors.

Instruments & Instrumentation↗

DOE OSTI2023

A unified exploration of the chronology of the Galaxy

The Milky Way has distinct structural stellar components linked to its formation and subsequent evolution, but disentangling them is non-trivial. With the recent availability of high-quality data for a large numbers of stars in the Milky Way, it is a natural next step for research in the evolution of the Galaxy to perform automated explorations with unsupervised methods of the structures hidden in the combination of large-scale spectroscopic, astrometric, and asteroseismic data sets. We determine precise stellar properties for 21 076 red giants, mainly spanning 2–15 kpc in Galactocentric radii, making it the largest sample of red giants with measured asteroseismic ages available to date. We explore the nature of different stellar structures in the Galactic disc by using Gaussian mixture models as an unsupervised clustering method to find substructure in the combined chemical, kinematic, and age subspace. The best-fitting mixture model yields four distinct physical Galactic components in the stellar disc: the thin disc, the kinematically heated thin disc, the thick disc, and the stellar halo. We find hints of an age asymmetry between the Northern and Southern hemisphere, and we measure the vertical and radial age gradient of the Galactic disc using the asteroseismic ages extended to further distances than previous studies.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

ACCRETION FLOW DYNAMICS OF MAXI J1836-194 DURING ITS 2011 OUTBURST FROM TCAF SOLUTION

The Galactic transient X-ray binary MAXI J1836-194 was discovered on 2011 August 29. Here we make a detailed study of the spectral and timing properties of its 2011 outburst using archival data from the RXTE Proportional Counter Array instrument. The evolution of accretion flow dynamics of the source during the outburst through spectral analysis with Chakrabarti–Titarchuk’s two-component advective flow (TCAF) solution as a local table model in XSPEC. We also fitted spectra with combined disk blackbody and power-law models and compared it with the TCAF model fitted results. The source is found to be in hard and hard-intermediate spectral states only during the entire phase of this outburst. No soft or soft-intermediate spectral states are observed. This could be due to the fact that this object belongs to a special class of sources (e.g., MAXI J1659-152, Swift J1753.5-0127, etc.) that have very short orbital periods and that the companion is profusely mass-losing or the disk is immersed inside an excretion disk. In these cases, flows in the accretion disk are primarily dominated by low viscous sub-Keplerian flow and the Keplerian rate is not high enough to initiate softer states. Low-frequency quasi-periodic oscillations (QPOs) are observed sporadically although as in normal outbursts of transient black holes, monotonic evolutions of QPO frequency during both rising and declining phases are observed. From the TCAF fits, we find the mass of the black hole in the range of 7.5–11 M{sub ⊙}, and from time differences between peaks of the Keplerian and sub-Keplerian accretion rates we obtain a viscous timescale for this particular outburst, ∼10 days.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2017

Soil Water Characteristics of Cores from Low- and High-Centered Polygons, Utqiagvik (Barrow), Alaska, 2012

This dataset includes soil water characteristic curves for soil and permafrost in two representative frozen cores collected from a high-center polygon (HCP) and a low-center polygon (LCP) from the Barrow Environmental Observatory. Data include soil water content and soil water potential measured using the simple evaporation method for hydrological and biogeochemical simulations and experimental data analysis. Data can be used to generate a soil moisture characteristic curve, which can be fit to a variety of hydrological functions to infer critical parameters for soil physics. Considering the measured the soil water properties, the van Genuchten model predicted well the HCP, in contrast, the Kosugi model well fitted LCP which had more saturated condition. This dataset includes 8 zipped files, one txt files, and one pdf file.Data were collected to estimate soil water potential and water availability at various temperatures and conditions for hydrological and biogeochemical simulations and experimental data analysis. Data can be used to generate a soil moisture characteristic curve, which can be fit to a variety of hydrological functions to infer critical parameters for soil physics.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research.The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska.Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2015

The Syrtis Major volcano, Mars: A multidisciplinary approach to interpreting its magmatic evolution and structural development: EVOLUTION OF THE SYRTIS MAJOR VOLCANO

Very weak crustal magnetic fields over the Syrtis Major volcanic complex imply almost total thermal demagnetization via magmatic intrusions over a large area less than ~4Ga. We fit a model of these intrusions and the resulting thermal demagnetization to maps of crustal magnetic field strength at 185km altitude. The best fits are most consistent with a "dog bone"-shaped region of intrusive material, elongated approximately north-south, with an area of ~350,000km 2 and an inferred volume of ~4-19×10 6 km 3 . Such a large volume is best explained by a long-lived mantle plume beneath the Syrtis edifice. A free-air gravity anomaly high over the Syrtis Major caldera is consistent with dense mafic residue remaining at depth following crystal fractionation that produced the silicic magmas seen at the surface. The elongation of this region is consistent with ascent and north-south emplacement of magma enabled by structures parallel to and associated with the preexisting Isidis impact basin.

58 GEOSCIENCES↗

DOE OSTI2017

Global reconstructed daily surge levels from the 20th Century Reanalysis (1871–2010)

Studying the effect of global patterns of wind and pressure gradients on the sea level variation (storm surge) is a key issue in understanding the recent climate change effect on the dynamical state of the ocean. The analysis of the spatial and temporal variability of storm surges from observations is a difficult task to accomplish since observations are not homogeneous in time, scarce in space, and moreover, their temporal coverage is limited. A recent global surge database developed by AVISO (DAC, Dynamic Atmospheric Correction) fulfilled the lack of data in terms of spatial coverage, but not regarding time extent, since it only includes the last two decades (1992–2014). In this work, we use the 20th Century Reanalysis V2 (20CR), which spans the years 1871 to 2010, to statistically reconstruct daily maximum surge levels at a global scale. A multivariate linear regression model is fitted between daily mean ERA-interim sea level pressure fields and daily maximum surge levels from DAC. Following, the statistical model is used to reconstruct daily surges using mean sea level pressure fields from 20CR. The verification of the statistical model shows good agreements between DAC levels and the reconstructed surge levels from the 20CR. The validation of the reconstructed surge with tide gauges, distributed throughout the domain, shows good accuracy both in terms of high correlations and small errors. A time series comparison is also depicted at specific tide gauges for the beginning of the 20th century, showing a high concordance. Therefore, this work provides to the scientific community, a daily database of maximum surge levels; which correspond to an extension of the DAC database, from 1871 to 2010. This database can be used to improve the knowledge on historical storm surge conditions, allowing the study of their temporal and spatial variability.

Geology↗

DOE OSTI2021

Pseudorapidity distributions of charged particles in pp($\bar p$), p(d)A and AA collisions using Tsallis thermodynamics

The pseudorapidity distributions of charged particles measured in p + p($\overline{\text{p}}$) collisions for energies ranging from $\sqrt{{s}_{\mathrm{N}\mathrm{N}}}=23.6$ GeV to 13 TeV and A + A collisions at RHIC and LHC are investigated in the fireball model with Tsallis thermodynamics. We assume that the rapidity axis is populated with fireballs following q-Gaussian distribution and the charged particles follow the Tsallis distribution in the fireball. We also extend the fireball model to asymmetric collision systems, i.e. d + Au collisions at $\sqrt{{s}_{\mathrm{N}\mathrm{N}}}=200$ GeV and p + Pb collisions at $\sqrt{{s}_{\mathrm{N}\mathrm{N}}}=5.02$ TeV, by taking into account the asymmetric geometry configuration. The model can fit the experimental data well for all the collision systems and centralities investigated. The collision energy and centrality dependence of the model parameters for the symmetric (asymmetric) collision system, i.e. the central position y 0 (y 0a , y 0A ) and its width σ (σ a , σ A ) of the fireball distribution, are also investigated and discussed. Furthermore, our results suggest that the fireball model with Tsallis thermodynamics can be used as a universal framework for the pseudorapidity distributions of charged particles in high energy collisions at RHIC and LHC.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2015

On the Statistical Calibration of Physical Models

ABSTRACT We introduce a novel statistical calibration framework for physical models, relying on probabilistic embedding of model discrepancy error within the model. For clarity of illustration, we take the measurement errors out of consideration, calibrating a chemical model of interest with respect to a more detailed model, considered as “truth” for the present purpose. We employ Bayesian statistical methods for such model‐to‐model calibration and demonstrate their capabilities on simple synthetic models, leading to a well‐defined parameter estimation problem that employs approximate Bayesian computation. The method is then demonstrated on two case studies for calibration of kinetic rate parameters for methane air chemistry, where ignition time information from a detailed elementary‐step kinetic model is used to estimate rate coefficients of a simple chemical mechanism. We show that the calibrated model predictions fit the data and that uncertainty in these predictions is consistent in a mean‐square sense with the discrepancy from the detailed model data.

Sargsyan, K.↗

DOE OSTI2024

Multiwavelength investigations of PKS 2300–18: S-shaped radio quasar with precessing jets and double-peaked broad emission-line spectrum

ABSTRACT S-shaped radio galaxy jets are prime sources for investigating the dynamic interplay between the central active galactic nucleus (AGN), the jets, and the ambient intergalactic medium. These sources are excellent candidates for studying jet precession, as their S-shaped inversion symmetry strongly indicates underlying precession. We present a multiwavelength analysis of the giant inversion-symmetric S-shaped radio galaxy PKS 2300$-$18, which spans 0.76 Mpc. The host is a quasar at a redshift of 0.128, displaying disturbed optical morphology due to an ongoing merger with a companion galaxy. We conducted a broad-band radio spectral study using multifrequency data ranging from 183 MHz to 6 GHz, incorporating dedicated observations with the upgraded Giant Metrewave Radio Telescope (uGMRT) and Karl G. Jansky Very Large Array (JVLA) alongside archival radio data. A particle injection model was fitted to the spectra of different regions of the source to perform ageing analysis, which was supplemented with a kinematic jet precession model. The ageing analysis revealed a maximum plasma age of $\sim$ 40 Myr, while the jet precession model indicated a precession period of $\sim$ 12 Myr. ROentgen SATellite (ROSAT) data revealed an X-ray halo of Mpc size, and from Chandra the AGN X-ray spectrum was modelled using thermal and power-law components. The optical spectrum displaying double-peaked broad emission lines was modelled, indicating complex broad-line region kinematics at the centre with the possibility of a binary SMBH. We present the results of our multiwavelength analysis of the source, spanning scales from a few light-days to a few Mpc, and discuss its potential evolutionary path.

Misra, Arpita↗

DOE OSTI2022

Testing Lepton Flavor Universality with Pion, Kaon, Tau, and Beta Decays

We present an overview of searches for violation of lepton flavor universality with a focus on low energy precision probes using π, K, τ, and nuclear beta decays. We review the current experimental results, summarize the theoretical status within the context of the Standard Model, and discuss future prospects (both experimental and theoretical). We review the implications of these measurements for physics beyond the Standard Model by performing a global model-independent fit to modified W couplings to leptons and four-fermion operators. We also discuss new physics in the context of simplified models and review Standard Model extensions with a focus on those that can explain a possible deviation from unitarity of the Cabibbo–Kobayashi–Maskawa quark mixing matrix.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2019

Quantile Kriging R Package

A re-implementation of Quantile Kriging. Quantile Kriging was described by Matthew Plumlee & Rui Tuo in their 2014 paper "Building Accurate Emulators for Stochastic Simulations via Quantile Kriging." With computational savings when dealing with replication from the recent paper "Practical heteroskedastic Gaussian process modeling for large simulation experiments”, it is now possible to apply Quantile Kriging to a wider class of problems. In addition to fitting the model, other useful tools are provided such as the ability to automatically perform leave-one-out cross validation.

Quinlan, KevinR.↗

DOE OSTI2013

Investigation into the Relationship between Heterogeneity and Heavy-Tailed Solute Transport (Final Technical Report)

The objective of this project was to characterize the influence that naturally complex geologic media has on anomalous dispersion and to determine if the nature of dispersion can be estimated from the underlying heterogeneous media. The UNM portion of this project was to provide detailed representations of aquifer heterogeneity through producing highly-resolved models of outcrop analogs to aquifer materials. This project combined outcrop-scale heterogeneity characterization (conducted at the University of New Mexico), laboratory experiments (conducted at Sandia National Laboratory), and numerical simulations (conducted at Sandia National Laboratory and Colorado School of Mines). The study was designed to test whether established dispersion theory accurately predicts the behavior of solute transport through heterogeneous media and to investigate the relationship between heterogeneity and the parameters that populate these models. The dispersion theory tested by this work was based upon the fractional advection-dispersion equation (fADE) model. Unlike most dispersion studies that develop a solute transport model by fitting the solute transport breakthrough curve, this project explored the nature of the heterogeneous media to better understand the connection between the model parameters and the aquifer heterogeneity. We also evaluated methods for simulating the heterogeneity to see whether these approaches (e.g., geostatistical) could reasonably replicate realistic heterogeneity. The UNM portion of this study focused on capturing realistic geologic heterogeneity of aquifer analogs using advanced outcrop mapping methods.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2017

A Mixture Evolution Scenario of the AGN Radio Luminosity Function. II. Do Low- and High-power Radio-loud AGNs Evolve Differently?

Following previous work, we further confirm that the cosmic evolution of steep-spectrum radio-loud AGNs (active galactic nuclei) can be reproduced by a simple combination of density evolution (DE) and luminosity evolution (LE). This mixture evolution scenario can naturally explain the luminosity-dependent evolution of radio-loud AGNs. Our models successfully fitted a large amount of data on radio luminosity functions of steep-spectrum sources and multi-frequency source counts. The modeling indicates that the DE slowly increases as (1+z){sup 0.3∼1.3} out to z∼0.8, and then rapidly decreases as (1+z){sup −6.8∼−5.7}, while the LE rapidly increases as (1+z){sup 4.8} out to a higher redshift (at least z>3.5). We find a high-redshift decline (i.e., redshift cutoff) in the number density of steep-spectrum radio sources, but we cannot conclude whether such a decline is sharp or shallow. We believe that whether a redshift cutoff occurs or not depends mainly on DE, while its steepness is decided by LE, which, however, cannot be well constrained due to the lack of high-redshift samples. Most intriguingly, according to our mixture evolution scenario, there appears to be no need for different evolution for the low- and high-power radio-loud AGNs. Both types of sources experience the same combined evolution of DE and LE.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Bayesian estimation of the $S$ factor and thermonuclear reaction rate for 16 O(p, γ) 17 F

The 16 O(p, γ) 17 F reaction is the slowest hydrogen-burning process in the CNO mass region. Its thermonuclear rate sensitively impacts predictions of oxygen isotopic ratios in a number of astrophysical sites, including AGB stars. The reaction has been measured several times at low bombarding energies using a variety of techniques. The most recent evaluated experimental rates have a reported uncertainty of about 7.5% below 1 GK. However, the previous rate estimate represents a best guess only and was not based on rigorous statistical methods. We apply a Bayesian model to fit all reliable 16 O(p, γ) 17 F cross section data, and take into account independent contributions of statistical and systematic uncertainties. The nuclear reaction model employed is a single-particle potential model involving a Woods-Saxon potential for generating the radial bound state wave function. The model has three physical parameters, the radius and diffuseness of the Woods-Saxon potential, and the asymptotic normalization coefficients (ANCs) of the final bound state in 17 F. Here, we find that performing the Bayesian S -factor fit using ANCs as scaling parameters has a distinct advantage over adopting spectroscopic factors instead. Based on these results, we present the first statistically rigorous estimation of experimental 16 O(p, γ) 17 F reaction rates, with uncertainties (±4.2%) of about half the previously reported values.

6 ≤ A ≤ 19↗

DOE OSTI2016

Simplified models for Higgs physics: singlet scalar and vector-like quark phenomenology

Simplified models provide a useful tool to conduct the search and exploration of physics beyond the Standard Model in a model-independent fashion. In this study, we consider the complementarity of indirect searches for new physics in Higgs couplings and distributions with direct searches for new particles, using a simplified model which includes a new singlet scalar resonance and vector-like fermions that can mix with the SM top-quark. We fit this model to the combined ATLAS and CMS 125 GeV Higgs production and coupling measurements and other precision electroweak constraints, and explore in detail the effects of the new matter content upon Higgs production and kinematics. Finally, we highlight some novel features and decay modes of the top partner phenomenology, and discuss prospects for Run II.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗