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At least 775 records · Page 43

FRAM Version 6.1’s Bias

The Fixed-Energy Response-Function Analysis with Multiple Efficiency (FRAM) code was developed at Los Alamos National Laboratory to measure the gamma-ray spectrometry of the isotopic composition of plutonium, uranium, and other actinides. For FRAM version 4 and earlier, the reported uncertainties of the results come from the propagation of the statistics in the peak areas only. No systematic error components are included in the reported uncertainties. We did several studies with FRAM v.4 and found that FRAM’s statistical precision can be reasonably represented by its reported uncertainties. FRAM’s biases or systematic uncertainties can come from a variety of sources and can be difficult to determine. For FRAM version 5, we carefully examined the FRAM analytical results of both the archival plutonium data and the data specifically acquired for the isotopic uncertainty analysis project and found the relationship between the bias and other parameters. We then worked out the equations representing the biases of the measured isotopes from each measurement using internal spectral parameters, such as peak resolution and shape, region of analysis, and burnup (for plutonium) or enrichment (for uranium). The resulting biases were included in the reported uncertainties of FRAM v.5. For the upcoming FRAM version 6.1, we are doing the same study that we did for FRAM v.5. The resulting biases will be included in its reported uncertainties.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Optimization and Verification of FRAM (V.6.1) Parameter Sets

FRAM (Fixed-energy Response-function Analysis with Multiple efficiency) is a program developed at Los Alamos National Laboratory that determines actinide isotopic composition by analyzing gamma-ray spectra of special nuclear material. This report documents the creations of the parameter sets and the performance (bias and precision) of FRAM version 6.1, scheduled for release in late 2019 – early 2020.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Pursuing Dark Energy with Large Galaxy Redshift Surveys: Baryon Acoustic Oscillations and Beyond (Final Technical Report)

We have developed and applied methods of large-scale structure from galaxy redshift surveys to the study of dark energy. This program supported my group's development of the baryon acoustic method and our participation in the Dark Energy Spectroscopic Instrument (DESI) survey. In addition to my leadership role in the DESI collaboration, my group at Harvard focused on several topics addressing key needs of the DESI science program. 1) We continued our design, validation, and documentation of DESI target selection of the luminous red galaxy and emission-line galaxy samples. 2) We applied simulations from our novel and extremely fast N-body code to make DESI catalogs. With these, we will search for possible systematic shifts in the acoustic scale due to clustering bias with an unprecedented volume of simulations. 3) We extended our method for the fast construction of covariance matrices for correlation functions. 4) We developed new large-scale structure methods, including density-field reconstruction and three-point function analysis.

79 ASTRONOMY AND ASTROPHYSICS↗

High Fidelity Modeling of WELL58-32 DFITS

Between 2017 and 2019, a series of injection tests were performed at pilot vertical well 58-32 at the Utah FORGE site. These injection activities were conducted in three distinct zones, isolated with packers and bridge plugs during the tests. Zone 1 consists of an open-hole section at the toe of the well, whereas Zones 2 and 3 are three-meter long cased and perforated sections. Several injection cycles were conducted in each zone. A detailed description of the geology of the FORGE site, of well 58-32 and of all injection cycles can be found in (Xing et al., 2020). The injection cycles included Diagnostic Fracture Injection Tests (DFITs). DFITs comprise two primary stages: an injection (pump-in) phase, where controlled fluid injection is employed to create a small hydraulic fracture in the surrounding rock, followed by a shut-in phase, where injection ceases, allowing observation of the formation’s pressure response. Utilizing methodologies such as the G-function analysis, DFITs provide valuable insights, including fracture closure pressure and the Instantaneous Shut-in Pressure (ISIP) and can be employed to estimate the minimum horizontal stress.

42 ENGINEERING↗

FRAM Version 7.1’s Bias

The Fixed-Energy Response-Function Analysis with Multiple Efficiency (FRAM) code was developed at Los Alamos National Laboratory to measure the gamma-ray spectrometry of the isotopic composition of plutonium, uranium, and other actinides. For FRAM versions 4 and earlier, the reported uncertainties of the results come from the propagation of the statistics in the peak areas only. No systematic error components are included in the reported uncertainties. For FRAM versions 5 and 6, we examined the FRAM analytical results of both the archival plutonium data and the data specifically acquired for the isotopic uncertainty analysis project and found the relationship between the bias and other parameters. We worked out the equations representing the biases of the measured isotopes from each measurement using internal spectral parameters, such as peak resolution and shape, region of analysis, and burnup (for plutonium) or enrichment (for uranium). The resulting biases were included in the reported uncertainties of FRAM v.5 and v.6.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

FRAM v.7.1

Fixed-energy Response-function Analysis with Multiple efficiency (FRAM) is a software code designed primarily for plutonium and uranium isotopic analysis. It is widely used in both the domestic and international safeguards community. FRAM can quickly and accurately determine the isotopic compositions of plutonium, uranium, and mixed oxides (MOX) when measuring with a high-purity germanium (HPGe), cadmium zinc telluride (CZT), or lanthanum bromide (LaBr3) detector. The capabilities of FRAM have been enhanced to analyze the data of the pixelated CZT detector (made by H3D) and to measure the mass of plutonium, uranium, and MOX. Both the isotopic composition and mass of the item can be quickly determined with one measurement using a gamma detector with FRAM v.7.1.

07 ISOTOPE AND RADIATION SOURCES↗

Final Report for Closing the Loop Between In Situ Stress Complexity and EGS Fracture Complexity

Characterizing in situ stress is essential in Enhanced Geothermal System (EGS) for both risk assessment and operation design. Standard stress measurement techniques such as diagnostic fracture injection tests (DFITs) require creating hydraulic fractures and apply analytical methods such as the G -function analysis to estimate the stress. These classical approaches rely on several assumptions, including but not limited to: (i) the induced fracture is planar and persistent, and (ii) the fracture plane is normal to the minimum horizontal stress. However, these assumptions may not hold in EGS environments like Utah FORGE, where thermo-hydro-mechanical (THM) coupling, wellbore deviation, and rock heterogeneity can alter the local stress condition and consequently lead to fracture complexities in both near-well and far-field regions.

15 GEOTHERMAL ENERGY↗

DeepComplex: A Web Server of Predicting Protein Complex Structures by Deep Learning Inter-chain Contact Prediction and Distance-Based Modelling

Proteins interact to form complexes. Predicting the quaternary structure of protein complexes is useful for protein function analysis, protein engineering, and drug design. However, few user-friendly tools leveraging the latest deep learning technology for inter-chain contact prediction and the distance-based modelling to predict protein quaternary structures are available. To address this gap, we develop DeepComplex, a web server for predicting structures of dimeric protein complexes. It uses deep learning to predict inter-chain contacts in a homodimer or heterodimer. The predicted contacts are then used to construct a quaternary structure of the dimer by the distance-based modelling, which can be interactively viewed and analysed. The web server is freely accessible and requires no registration. It can be easily used by providing a job name and an email address along with the tertiary structure for one chain of a homodimer or two chains of a heterodimer. The output webpage provides the multiple sequence alignment, predicted inter-chain residue-residue contact map, and predicted quaternary structure of the dimer.

59 BASIC BIOLOGICAL SCIENCES↗

Evolutionary Divergence of Duplicated Hsf Genes in Populus

Heat shock transcription factors (Hsfs), which function as the activator of heat shock proteins (Hsps), play multiple roles in response to environmental stress and the development of plants. The Hsf family had experienced gene expansion via whole-genome duplication from a single cell algae to higher plants. Yet, how the Hsf gene family went through evolutionary divergence after genome duplication is unknown. As a model wood species, Populus trichocarpa is widely distributed in North America with various ecological and climatic environments. In this study, we used P. trichocarpa as materials and identified the expression divergence of the PtHsf gene family in developmental processes, such as dormant bud formation and opening, catkins development, and in response to environments. Through the co-expression network, we further discovered the divergent co-expressed genes that related to the functional divergence of PtHsf . Then, we studied the alternative splicing events, single nucleotide polymorphism distribution and tertiary structures of members of the PtHsf gene family. In addition to expression divergence, we uncovered the evolutionary divergence in the protein level which may be important to new function formations and for survival in changing environments. This study comprehensively assessed the evolutionary divergence of a member of the PtHsf gene family after genome duplication, paving the way for further gene function analysis and genetic engineering.

59 BASIC BIOLOGICAL SCIENCES↗

X-Ray Intraday Variability of Five TeV Blazars with NuSTAR

We have examined 40 Nuclear Spectroscopic Telescope Array ( NuSTAR ) light curves (LCs) of five TeV emitting high synchrotron peaked blazars: 1ES 0229+200, Mrk 421, Mrk 501, 1ES 1959+650, and PKS 2155−304. Four of the blazars showed intraday variability in the NuSTAR energy range of 3–79 keV. Using an autocorrelation function analysis we searched for intraday variability timescales in these LCs and found indications of several between 2.5 and 32.8 ks in eight LCs of Mrk 421, a timescale around 8.0 ks for one LC of Mrk 501, and timescales of 29.6 and 57.4 ks in two LCs of PKS 2155-304. The other two blazars’ LCs do not show any evidence for intraday variability timescales shorter than the lengths of those observations; however, the data were both sparser and noisier for them. We found positive correlations with zero lag between soft (3–10 keV) and hard (10–79 keV) bands for most of the LCs, indicating that their emissions originate from the same electron population. We examined spectral variability using a hardness ratio analysis and noticed a general “harder-when-brighter” behavior. The 22 LCs of Mrk 421 observed between 2012 July and 2013 April show that this source was in a quiescent state for an extended period of time and then underwent an unprecedented double-peaked outburst while monitored on a daily basis during 2013 April 10–16. We briefly discuss models capable of explaining these blazar emissions.

79 ASTRONOMY AND ASTROPHYSICS↗

ATOMIC AND MICROSTRUCTURAL ORIGINS OF STORED ENERGY RELEASE IN NEUTRON-IRRADIATED SILICON CARBIDE

Here, we employ a combination of advanced synchrotron-based scattering characterization techniques to understand and unravel the atomic origins of the colossal stored energy release in neutron irradiated silicon carbide. The quantification of the neutron irradiation-induced defects, and their impact on the structureproperty relationship is important for the design and safe operation of advanced fission and fusion reactors. Our experimental results show that the atomic structure in the as irradiated samples is significantly perturbed due to a large fraction of vacancy and interstitial type defects that lead to complex microstructures and additional components in the x-ray diffraction and pair distribution function results. We directly correlate the stored energy release to the recovery of the sub-lattices, with pair distribution function analysis highlighting that the carbon interstitial and vacancy-type defects contribute to stored energy more than those of silicon. We find these results to be striking and believe our discoveries to be timely and noteworthy given the technological importance of silicon carbide to the nuclear fission and fusion communities.

Sprouster, D.J.↗

Dynamic octahedral fluctuations and the effects on orbital ordering in YTiO3

YTiO3 is revisited to investigate the influence of local lattice dynamics on orbital ordering using inelastic neutron scattering. Orbital order survives well above the ferromagnetic transition, into the paramagnetic state, but what eventually leads to disorder is not well understood. By probing the local lattice dynamics via the dynamic pair density function analysis, it is found that local fluctuations associated with octahedral tilting and rotational modes and Y displacements persist up to 60 meV. The local fluctuations exhibit a temperature dependence that may lead to the suppression of the Ti orbital overlap leading to a temperature dependent orbital disorder.

Li, Bing↗

INSIGHT On Transforming Our Global Energy Economy, 2015 Annual Report (Brochure)

From its inception, JISEA has provided critical clarity and insights to inform decision making through leading-edge interdisciplinary research and objective, credible, cross-functional analysis. JISEA, drawing on the unique capabilities of its founding institutions and research affiliates around the world, continues to inform the landscape of transformation.

21ST CENTURY POWER PARTNERSHIP↗

F2 extraction from Inclusive Cross Section Data at Large Bjorken x

While we have made significant progress in probing nuclear structure at low Bjorken x and high Q 2 , we still have gaps in our knowledge regarding the high Bjorken x and intermediate Q 2 kinematic region. This is not an accident, but instead due to the diffculty in assessing the non-perturbative region of nuclear physics. For this reason, the E12-10-002 experiment measured the H(e,e') and D(e,e') inclusive cross section in the resonance region. This will allow us to study both perturbative and non-perturbative physics in a kinematic region that lacks precision measurements. Measurements were made up to a Bjorken x of 0.99 and Q 2 up to 17 GeV 2 . These measurements are made using the independent HMS and SHMS spectrometers at the upgraded beam energy of 11 GeV in Hall C at Jefferson Lab. Further, we extract F 2 structure functions from the measured data and study the effect of their inclusion in a global Parton Distribution Function analysis.

Araiza Gonzalez, Fernando↗

Multiplex characterization of microbial traits using dual barcoded nucleic acid fragment expression library

Disclosed herein are barcoded expression libraries comprising a plurality of expression vectors, wherein each expression vector comprises a nucleic acid fragment flanked by a first barcode and a second barcode. Further disclosed herein are methods of making the barcoded expression libraries and methods of conducting functional analysis using the barcoded expression libraries.

Mutalik, Vivek K.↗

Analysis of soil eDNA functional genes: potential to increase profitability and sustainability of pastoral agriculture

Management of soil biological resources to optimise plant production, efficiency of nutrient inputs, and system sustainability is an emerging opportunity for pastoral agriculture. To attain these goals, suitable tools that can assess the functional state of the soil ecosystem must be developed and standardised approaches to their application adopted. Towards this end, we have undertaken comprehensive, high-density functional-gene microarray analysis (GeoChip5) of environmental DNA (eDNA) extracted from 50 pastoral soils. When combined with soil, environmental and management metadata, the information can be used to provide insights into soil biological processes spanning greenhouse gas emissions, through to natural suppression of plant root diseases. To give an example of a structured workflow of analysis in a pastoral system context, we analysed the GeoChip data using a combination of approaches spanning routine univariate methods through to more complex multivariate and network-based analysis. Analyses were restricted to comparing effects of land-use (dairy or ‘other’ farming systems), and exploring relationships of the GeoChip data with the soil properties from each sample. These exemplar analyses introduce a pathway for the application of eDNA approaches (GeoChip or others) to deliver outcomes for pastoral agricultural in New Zealand.

59 BASIC BIOLOGICAL SCIENCES↗

Density Functional Theory Calculations and Analysis of Reaction Pathways for Reduction of Nitric Oxide by Hydrogen on Pt(111)

Reaction pathways are explored for low temperature (e.g., 400 K) reduction of nitric oxide by hydrogen on Pt(111). First-principles electronic structure calculations based on periodic, self-consistent density functional theory(DFT-GGA, PW91) are employed to obtain thermodynamic and kinetic parameters for proposed reaction schemes on Pt(111). The surface of Pt(111) during NO reduction by H₂ at low temperatures is predicted to operate at a high NO coverage, and this environment is explicitly taken into account in the DFT calculations. Maximum rate analyses are performed to assess the most likely reaction mechanisms leading to formation of N₂O, the major product observed experimentally at low temperatures. The results of these analyses suggest that the reaction most likely proceeds via the addition of at least two H atoms to adsorbed NO, followed by cleavage of the N-O bond.

Environmental Molecular Sciences Laboratory↗

MULTICOLOR OPTICAL MICROVARIABILITY IN S5 0716+714

We report the results of a study of multicolor optical microvariability in the Blazar S5 0716+714. S5 0716+714 was observed in the B and I bands continuously for five consecutive nights in 2003 March. This is the first study to apply color analysis, structure function, and cross-correlation analysis on an optical data set with the temporal coverage and photometric quality that characterizes this data. The source displayed variability on timescales from days to tens of minutes in both bands. Discrete events in the light curves lead to the determination of a range in the size of the emission regions of R {<=} 1.07 x10{sup 15} cm to R {<=} 9.8 x10{sup 15} cm, adopting {delta} = 20 from Nesci et al. Hysteresis loops were found in plots of the B-band flux (F{sub B}) and the ratio of the B to the I-band flux (F{sub B/I}); these loops were found to be clockwise for dips in the light curves and counterclockwise for bursts. Their directionality and the symmetric nature of the flares are consistent with the flux variations being dominated by the light crossing time of the emission region and not its intrinsic electron cooling or acceleration timescales. The variability between B and I bands is highly correlated with no significant lags between the B and I-band flux variations detected. Significant lags were detected between the flux in the B band (F{sub B}) and the B/I flux ratio (F{sub B/I}). A structure function analysis shows similar slopes in both bands, lying in the range of -1.0 to -2.0, indicating that the observed variability is the result of a fractional noise process, consistent with the variations arising from a turbulent process. A differential I-band calibration for comparison star 4 from the sequence of Villata et al. is also provided.

79 ASTRONOMY AND ASTROPHYSICS↗