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At least 1,477 records · Page 82
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

FORMULATION OF NON-STEADY-STATE DUST FORMATION PROCESS IN ASTROPHYSICAL ENVIRONMENTS

The non-steady-state formation of small clusters and the growth of grains accompanied by chemical reactions are formulated under the consideration that the collision of key gas species (key molecule) controls the kinetics of dust formation process. The formula allows us to evaluate the size distribution and condensation efficiency of dust formed in astrophysical environments. We apply the formulation to the formation of C and MgSiO{sub 3} grains in the ejecta of supernovae, as an example, to investigate how the non-steady effect influences the formation process, condensation efficiency f{sub con,{sub ∞}}, and average radius a{sub ave,{sub ∞}} of newly formed grains in comparison with the results calculated with the steady-state nucleation rate. We show that the steady-state nucleation rate is a good approximation if the collision timescale of key molecule τ{sub coll} is much smaller than the timescale τ{sub sat} with which the supersaturation ratio increases; otherwise the effect of the non-steady state becomes remarkable, leading to a lower f{sub con,{sub ∞}} and a larger a{sub ave,{sub ∞}}. Examining the results of calculations, we reveal that the steady-state nucleation rate is applicable if the cooling gas satisfies Λ ≡ τ{sub sat}/τ{sub coll} ∼> 30 during the formation of dust, and find that f{sub con,{sub ∞}} and a{sub ave,{sub ∞}} are uniquely determined by Λ{sub on} at the onset time t{sub on} of dust formation. The approximation formulae for f{sub con,{sub ∞}} and a{sub ave,{sub ∞}} as a function of Λ{sub on} could be useful in estimating the mass and typical size of newly formed grains from observed or model-predicted physical properties not only in supernova ejecta but also in mass-loss winds from evolved stars.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

The radius distribution of planets around cool stars

We calculate an empirical, non-parametric estimate of the shape of the period-marginalized radius distribution of planets with periods less than 150 days using the small yet well-characterized sample of cool (T{sub eff} < 4000 K) dwarf stars in the Kepler catalog. In particular, we present and validate a new procedure, based on weighted kernel density estimation, to reconstruct the shape of the planet radius function down to radii smaller than the completeness limit of the survey at the longest periods. Under the assumption that the period distribution of planets does not change dramatically with planet radius, we show that the occurrence of planets around these stars continues to increase to below 1 R{sub ⊕}, and that there is no strong evidence for a turnover in the planet radius function. In fact, we demonstrate using many iterations of simulated data that a spurious turnover may be inferred from data even when the true distribution continues to rise toward smaller radii. Finally, the sharp rise in the radius distribution below ∼3 R{sub ⊕} implies that a large number of planets await discovery around cool dwarfs as the sensitivities of ground-based transit surveys increase.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Kinetic theory of particle-in-cell simulation plasma and the ensemble averaging technique

Abstract We derive the kinetic theory of fluctuations in physically and numerically stable particle-in-cell (PIC) simulations of electrostatic plasmas. The starting point is the single-time correlation at the start of the simulation between the statistical fluctuations of the weighted densities of macroparticle centers in the plasma particle phase-space. The fluctuations are associated with different initial conditions, typically due to the random initial conditions (in velocity space) of the macroparticles/simulation plasma, assigned according to their initial distribution of probability. The single-time correlations at all time steps and in each spatial grid cell are then determined from the Laplace–Fourier transforms of the discretized Klimontovich-like equation for the macroparticles and Maxwell’s equations for the fields, as computed by modern PIC codes. We recover the expressions for the electrostatic field and the plasma particle density fluctuation autocorrelation spectra as well as the kinetic equations describing the average evolution of PIC-simulated plasma particles, first derived by Langdon (1970b Proc. 4th Conf. Numerical Simulation of Plasmas ) using a test macroparticle approach perturbing a discretized Vlasovian plasma and then averaging the obtained physical quantity over the initial macroparticle velocity distribution. We generalize and extend these results to the modern algorithms in PIC codes using arbitrary macroparticle weights. Analytical estimates of statistical fluctuation amplitudes are derived as a function of the plasma simulation parameters, using the central limit theorem in the limit of a large number of macroparticles per cell. The theory is then used to analyze the ensemble averaging technique of PIC simulations where statistical averages are performed over ensembles of PIC simulations, modeling the same plasma physics problem but using different statistical realizations of the initial distribution functions of the macroparticles. This method is illustrated by linear Landau damping uncovering (from noise, which is usually considered numerical) the physical fluctuations driven by a single small amplitude electrostatic wave perturbing a PIC simulation plasma in equilibrium.

fluctuations correlations↗
DOE OSTI2014

Cosmic muon flux measurements at the Kimballton Underground Research Facility

In this article, the results from a series of muon flux measurements conducted at the Kimballton Underground Research Facility (KURF), Virginia, United States, are presented. The detector employed for these investigations, is made of plastic scintillator bars readout by wavelength shifting fibers and multianode photomultiplier tubes. Data was taken at several locations inside KURF, spanning rock overburden values from ~ 200 to 1450 m.w.e. From the extracted muon rates an empirical formula was devised, that estimates the muon flux inside the mine as a function of the overburden. Furthermore, the results are in good agreement with muon flux calculations based on analytical models and MUSIC.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2012

THE EXTREMELY HIGH VELOCITY OUTFLOW FROM THE LUMINOUS YOUNG STELLAR OBJECT G5.89-0.39

We have imaged the extremely high velocity outflowing gas in CO (2-1) and (3-2) associated with the shell-like ultracompact H II region G5.89-0.39 at a resolution of {approx}3'' (corresponding to {approx}4000 AU) with the Submillimeter Array. The integrated high-velocity ({approx}>45 km s{sup -1}) CO emission reveals at least three blueshifted lobes and two redshifted lobes. These lobes belong to two outflows, one oriented N-S, the other NW-SE. The NW-SE outflow is likely identical to the previously detected Br{gamma} outflow. Furthermore, these outflow lobes all clearly show a Hubble-like kinematic structure. For the first time, we estimate the temperature of the outflowing gas as a function of velocity with large velocity gradient calculations. Our results reveal a clear increasing trend of temperature with gas velocity. The observational features of the extremely high velocity gas associated with G5.89-0.39 qualitatively favor the jet-driven bow shock model.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Eliater: a Python package for estimating outcomes of perturbations in biomolecular networks

We introduce Eliater, a Python package for estimating the effect of perturbation of an upstream molecule on a downstream molecule in a biomolecular network. The estimation takes as input a biomolecular network, observational biomolecular data, and a perturbation of interest, and outputs an estimated quantitative effect of the perturbation. We showcase the functionalities of Eliater in a case study of Escherichia coli transcriptional regulatory network.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

rascalc : a jackknife approach to estimating single- and multitracer galaxy covariance matrices

ABSTRACT To make use of clustering statistics from large cosmological surveys, accurate and precise covariance matrices are needed. We present a new code to estimate large-scale galaxy two-point correlation function (2PCF) covariances in arbitrary survey geometries that, due to new sampling techniques, runs ∼104 times faster than previous codes, computing finely binned covariance matrices with negligible noise in less than 100 CPU-hours. As in previous works, non-Gaussianity is approximated via a small rescaling of shot noise in the theoretical model, calibrated by comparing jackknife survey covariances to an associated jackknife model. The flexible code, rascalc, has been publicly released, and automatically takes care of all necessary pre- and post-processing, requiring only a single input data set (without a prior 2PCF model). Deviations between large-scale model covariances from a mock survey and those from a large suite of mocks are found to be indistinguishable from noise. In addition, the choice of input mock is shown to be irrelevant for desired noise levels below ∼105 mocks. Coupled with its generalization to multitracer data sets, this shows the algorithm to be an excellent tool for analysis, reducing the need for large numbers of mock simulations to be computed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Major impacts of widespread structural variation on sorghum

Genetic diversity is critical to crop breeding and improvement, and dissection of the genomic variation underlying agronomic traits can both assist breeding and give insight into basic biological mechanisms. Although recent genome analyses in plants reveal many structural variants (SVs), most current studies of crop genetic variation are dominated by single-nucleotide polymorphisms (SNPs). The extent of the impact of SVs on global trait variation, as well as their utility in genome-wide selection, is not yet understood. In this study, we built an SV data set based on whole-genome resequencing of diverse sorghum lines (n = 363), validated the correlation of photoperiod sensitivity and variety type, and identified SV hotspots underlying the divergent evolution of cellulosic and sweet sorghum. In addition, we showed the complementary contribution of SVs for heritability of traits related to sorghum adaptation. Importantly, inclusion of SV polymorphisms in association studies revealed genotype–phenotype associations not observed with SNPs alone. Three-way genome-wide association studies (GWAS) based on whole-genome SNP, SV, and integrated SNP + SV data sets showed substantial associations between SVs and sorghum traits. The addition of SVs to GWAS substantially increased heritability estimates for some traits, indicating their important contribution to functional allelic variation at the genome level. Our discovery of the widespread impacts of SVs on heritable gene expression variation could render a plausible mechanism for their disproportionate impact on phenotypic variation. This study expands our knowledge of SVs and emphasizes the extensive impacts of SVs on sorghum.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Mixing A -type and G -type B -site antiferromagnetism in A M n 1 - x F e x O 3 ( A = La , Nd )

Using a classical Heisenberg model with anisotropic nearest-neighbor superexchange and uniaxial anisotropy, I investigate the magnetic order of the transition metals on the B sites in AMn 1-x Fe x O 3 (A=La, Nd; x=[0,1]) with Monte Carlo methods. Magnetic parameters are extracted from preexisting experimental data when available and otherwise estimated with calculations. Superexchange energies are compared to density functional theory and anisotropy energies to ligand field theory, and the potential for doping-induced strain affecting these parameters is considered. I find coexistence regions of different types of magnetic order (A-type and G-type antiferromagnetism), regions with distinct magnetic transitions for the two order parameters, noncollinear ground states for intermediate values of x that decrease the amplitude of the ordered moment in a way consistent with experiment for low dopings, and a reproduction of the experimentally determined, nonmonotonic interpolation of the ordering temperatures. The detailed shape of the phase boundaries in (x,T) space is found to be diagnostic of the magnetic interactions. Finally, these results also suggest a ferrimagnetic ground state for the A 2 MnFeO 6 double perovskite with T N ≈270K for A=La and Nd.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Plasma dynamics near critical density inferred from direct measurements of laser hole boring

Here, we use multiframe picosecond optical interferometry to make direct measurements of the hole boring velocity, vHB, of the density cavity pushed forward by a train of CO 2 laser pulses in a near critical density helium plasma. As the pulse train intensity rises, the increasing radiation pressure of each pulse pushes the density cavity forward and the plasma electrons are strongly heated. After the peak laser intensity, the plasma pressure exerted by the heated electrons strongly impedes the hole boring process and the vHB falls rapidly as the laser pulse intensity falls at the back of the laser pulse train. We present a heuristic theory that allows the estimation of the plasma electron temperature from the measurements of the hole boring velocity. Furthermore, the measured values of v HB , and the estimated values of the heated electron temperature as a function of laser intensity are in reasonable agreement with those obtained from two-dimensional numerical simulations.

36 MATERIALS SCIENCE↗
DOE OSTI2013

HfCo7-Based Rare-Earth-Free Permanent-Magnet Alloys

This study presents the structural and magnetic properties of melt-spun HfCo7, HfCo7-xFex (0.25 <= x <=), and HfCo7Six (0.2 <= x <= 1.2) alloys. Appreciable permanent-magnet properties with a magnetocrystalline anisotropy of about 9.6-16.5, Mergs/cm(3), a magnetic polarization J(s) approximate to 7.2-10.6 kG, and coercivities H-c = 0.5-3.0 kOe were obtained by varying the composition of these alloys. Structural analysis reveals that the positions of x-ray diffraction peaks of HfCo7 show good agreement with those corresponding to an orthorhombic structure having lattice parameters of about a = 4.719 angstrom, b = 4.278 angstrom, and c = 8.070 angstrom. Based on these results, a model crystal structure for HfCo7 is developed and used to estimate the magnetic properties of HfCo7 using density-functional calculations, which agree with the experimental results.

Das, B↗
DOE OSTI2021

Source:sink imbalance detected with leaf and canopy-level spectroscopy in a field-grown crop

The finely-tuned balance between sources and sinks determines plant resource partitioning and regulates growth and development. Understanding and measuring metabolic indicators of source or sink limitation forms a vital part of global efforts to increase crop yield for future food security. Here, we measured metabolic profiles of Cucurbita pepo (zucchini) grown in the field under carbon sink limitation and control conditions. We demonstrate that these profiles can be measured non-destructively using hyperspectral reflectance at both leaf and canopy scales. Total non-structural carbohydrates (TNC) increased 82% in sink-limited plants; leaf mass per unit area (LMA) increased 38%; free amino acids increased 22%. Partial least-squares regression models link these measured functional traits with reflectance data, enabling high-throughput estimation of traits comprising the sink limitation response. Leaf- and canopy-scale models for TNC had R 2 values of 0.93 and 0.64 and %RMSE of 13% and 38% respectively. For LMA, R 2 values were 0.91 and 0.60 and %RMSE 7% and 14%; for free amino acids, R 2 was 0.53 and 0.21 with %RMSE 20% and 26%. Remote sensing can enable accurate, rapid detection of sink limitation in the field at the leaf and canopy scale, greatly expanding our ability to understand and measure metabolic responses to stress.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2013

Integrated systems-based approach to monitoring environmental remediation

The U.S. Department of Energy is responsible for risk reduction and cleanup of its nuclear weapons complex. Remediation strategies for some of the contamination may include techniques that mitigate risk, but leave contaminants in place. Monitoring to verify remedy performance and long-term mitigation of risk is key to implementing these strategies and can be a large portion of the total cost of remedy implementation. Especially in these situations, there is a need for innovative monitoring approaches that move away from the cost- and labor-intensive point-source monitoring. In this paper, alternative approaches for monitoring are presented for vadose zone, groundwater, groundwater/surface water interface, and surface water. To illustrate integrated, systems-based monitoring, this paper focuses on vadose zone contaminant remediation to mitigate impact to groundwater. In this context, vadose zone contamination is a source, or potential source, to groundwater plumes. The monitoring design uses a systems-based approach focused on developing a conceptual site model that highlights key features that control contaminant flux to groundwater. These features are derived considering the unsaturated flow and contaminant transport processes in the vadose zone and the nature of the waste discharge. Diagnostic properties and/or parameters related to both short- and long-term contaminant flux to groundwater can be identified and targeted for monitoring. The resolution of monitoring data needed to correspond to a functionally useful indicator of flux to groundwater can be estimated using quantitative analyses and the associated unsaturated flow properties relevant to the targeted site and vadose zone features. This monitoring design approach follows the process of developing a quantitative conceptual model suitable for supporting projections of future flux to groundwater. Support for such projections is important because it is likely that, in many cases, remediation decisions for the vadose zone will need to be made based all or in part on projected impacts to groundwater, and monitoring will then be applied to verify that remedy goals are being met. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

First-principles study of magnetism and electric field effects in 2D systems

This review article provides a bird's-eye view of what first-principles based methods can contribute to next-generation device design and simulation. After a brief overview of methods and capabilities in the area, the authors focus on published work by their group since 2015 and current work on CrI3. The authors introduce both single- and dual-gate models in the framework of density functional theory and the constrained random phase approximation in estimating the Hubbard U for 2D systems vs their 3D counterparts. A wide range of systems, including graphene-based heterogeneous systems, transition metal dichalcogenides, and topological insulators, and a rich array of physical phenomena, including the macroscopic origin of polarization, field effects on magnetic order, interface state resonance induced peak in transmission coefficients, spin filtration, etc., are covered. For CrI3, the authors present their new results on bilayer systems such as the interplay between stacking and magnetic order, pressure dependence, and electric field induced magnetic phase transitions. The authors find that a bare bilayer CrI3, graphene|bilayer CrI3|graphene, hexagonal boron nitride (h-BN)|bilayer CrI3|h-BN, and h-BN|bilayer CrI3|graphene all have a different response at high field, while at small field, the difference is small except for graphene|bilayer CrI3|graphene. The authors conclude with discussion of some ongoing work and work planned in the near future, with the inclusion of further method development and applications.

Cheng, Hai-Ping (ORCID:0000000159901725)↗
DOE OSTI2022

Optimal band selection for target detection with a LWIR multispectral imager

Multispectral imaging can offer many benefits in cost, complexity, resolution, size, weight, and power, relative to hyperspectral imaging. When designing a multispectral system, spectral bandpasses can be selected using optimization algorithms configured to maximally separate target detection scores between target and background regions. A hyperspectral image (HSI) can serve as the source of data from which band groupings can be tested for optimality. The output of an adaptive cosine estimator target detection algorithm is used in an objective function. Three optimization algorithms are compared: particle swarm, dual annealing, and differential evolution. A global optimum is also found using a brute force approach on the Livermore Computing Syrah supercomputer. Three materials are investigated: calcite, gypsum, and limestone. This is done for 3-, 4-, and 5-band systems. The data originate from a longwave infrared HSI of a material display board. The optimization algorithms were run 30 times for every scenario. Performance statistics (maximum, minimum, mean, standard deviation, and median) based on the separation values are given. Additional characterization was performed using receiver operator characteristic (ROC) curves and the area under the ROC curve. While good performance was obtained for the three optimization algorithms, the dual annealing algorithm produced the highest and most consistent detection separation scores on average.

47 OTHER INSTRUMENTATION↗
DOE OSTI2015

A revised dosimetric characterization of the model S700 electronic brachytherapy source containing an anode-centering plastic insert and other components not included in the 2006 model

Purpose: The model S700 Axxent electronic brachytherapy source by Xoft, Inc., was characterized by Rivard et al. in 2006. Since then, the source design was modified to include a new insert at the source tip. Current study objectives were to establish an accurate source model for simulation purposes, dosimetrically characterize the new source and obtain its TG-43 brachytherapy dosimetry parameters, and determine dose differences between the original simulation model and the current model S700 source design. Methods: Design information from measurements of dissected model S700 sources and from vendor-supplied CAD drawings was used to aid establishment of an updated Monte Carlo source model, which included the complex-shaped plastic source-centering insert intended to promote water flow for cooling the source anode. These data were used to create a model for subsequent radiation transport simulations in a water phantom. Compared to the 2006 simulation geometry, the influence of volume averaging close to the source was substantially reduced. A track-length estimator was used to evaluate collision kerma as a function of radial distance and polar angle for determination of TG-43 dosimetry parameters. Results for the 50 kV source were determined every 0.1 cm from 0.3 to 15 cm and every 1° from 0° to 180°. Photon spectra in water with 0.1 keV resolution were also obtained from 0.5 to 15 cm and polar angles from 0° to 165°. Simulations were run for 10{sup 10} histories, resulting in statistical uncertainties on the transverse plane of 0.04% at r = 1 cm and 0.06% at r = 5 cm. Results: The dose-rate distribution ratio for the model S700 source as compared to the 2006 model exceeded unity by more than 5% for roughly one quarter of the solid angle surrounding the source, i.e., θ ≥ 120°. The radial dose function diminished in a similar manner as for an {sup 125}I seed, with values of 1.434, 0.636, 0.283, and 0.0975 at 0.5, 2, 5, and 10 cm, respectively. The radial dose function ratio between the current and the 2006 model had a minimum of 0.980 at 0.4 cm, close to the source sheath and for large distances approached 1.014. 2D anisotropy function ratios were close to unity for 50° ≤ θ ≤ 110°, but exceeded 5% for θ < 40° at close distances to the sheath and exceeded 15% for θ > 140°, even at large distances. Photon energy fluence of the updated model as compared to the 2006 model showed a decrease in output with increasing distance; this effect was pronounced at the lowest energies. A decrease in photon fluence with increase in polar angle was also observed and was attributed to the silver epoxy component. Conclusions: Changes in source design influenced the overall dose rate and distribution by more than 2% in several regions. This discrepancy is greater than the dose calculation acceptance criteria as recommended in the AAPM TG-56 report. The effect of the design change on the TG-43 parameters would likely not result in dose differences outside of patient applicators. Adoption of this new dataset is suggested for accurate depiction of model S700 source dose distributions.

60 APPLIED LIFE SCIENCES↗