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At least 307 records · Page 17

Establishing a clostridia foundry for biosystems design by integrating computational modeling, systems-level analyses, and cell-free engineering technologies (Final Report)

Rapid population growth, a rise in global living standards, and economic competitiveness have intensified the need for sustainable, low-cost biofuels and bioproducts production. Industrial biotechnology using microbial cell factories – and waste and/or renewable feedstocks – is one of the most attractive approaches for addressing this need, particularly when large-scale chemical synthesis is untenable. Unfortunately, designing, building, and optimizing biosynthetic pathways in cells remains a complex challenge. With support from the Department of Energy, we worked to address this challenge in a new interdisciplinary venture that established the world’s first clostridial Foundry for Biosystems Design (cBioFAB). Working both in vitro (cell-free) and in vivo, the goal of this project was to interweave and advance state-of-the-art computational modeling, genome editing, omics measurements, systems-biology analyses, and cell-free technologies to expand the set of platform organisms that meet DOE bioenergy goals. Specifically, we manufactured fuel and chemical intermediates via existing and de novo pathways. This report covers the outcomes of our research project.

09 BIOMASS FUELS↗

Improving the Usability of Integrated Assessment for Adaptation Practice: Insights from the U.S. Southeast Energy Sector

Energy systems comprise a key sector of the U.S. economy, and one that has been identified as potentially vulnerable to the effects of climate variability and change. However, understanding of adaptation processes in energy companies and private entities more broadly is limited. It is unclear, for example, the extent to which energy companies are well-served by existing knowledge and tools emerging from the impacts, adaptation and vulnerability (IAV) and integrated assessment modeling (IAM) communities and/or what experiments, analyses, and model results have practical utility for informing adaptation in the energy sector. As part of a regional IAM development project, we investigated available evidence of adaptation processes in the energy sector, with a particular emphasis on the U.S. Southeast and Gulf Coast region. A mixed methods approach of literature review and semi-structured interviews with key informants from energy utilities was used to compare existing knowledge from the IAV community with that of regional stakeholders. That comparison revealed that much of the IAV literature on the energy sector is climate-centric and therefore disconnected from the more integrated decision-making processes and institutional perspectives of energy utilities. Increasing the relevance of research and assessment for the energy sector will necessitate a greater investment in integrated assessment and modeling efforts that respond to practical decision-making needs as well as greater collaboration between energy utilities and researchers in the design, execution, and communication of those efforts.

de Bremond, Ariane↗

Measurement of cross sections for production of a $Z$ boson in association with a flavor-inclusive or doubly $b$-tagged large-radius jet in proton-proton collisions at $\sqrt{s}$ = $13$ $\mathrm{TeV}$ with the ATLAS experiment

We present measurements of cross sections for production of a leptonically decaying $Z$ boson in association with a large-radius jet in 13 TeV proton-proton collisions at the LHC, using 36 fb –1 of data from the ATLAS detector. Integrated and differential cross sections are measured at particle level in both a flavor inclusive and a doubly $b$-tagged fiducial phase space. The large-radius jet mass and transverse momentum, its kinematic relationship to the Z boson, and the angular separation of $b$-tagged small-radius track jets within the large-radius jet are measured. This measurement constitutes an important test of perturbative quantum chromodynamics in kinematic and flavor configurations relevant to several Higgs boson and beyond-Standard-Model physics analyses. The results highlight issues with modeling of additional hadronic activity in the flavor-inclusive selection, and a distinction between flavor-number schemes in the $b$-tagged phase space.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Global Sensitivity Analysis for Statistical Model Parameters

Global sensitivity analysis (GSA) is typically used to analyze the influence of uncertain parameters in mathematical models and simulations. In principle, tools from GSA may be extended to analyze the influence of parameters in statistical models. Such analyses may enable reduced or parsimonious modeling and greater predictive capability. Yet, difficulties such as parameter correlation, model stochasticity, multivariate model output, and unknown parameter distributions prohibit a direct application of GSA tools to statistical models. By leveraging a loss function associated with the statistical model, we introduce a novel framework to address these difficulties and enable efficient GSA for statistical model parameters. Theoretical and computational properties are considered and hihglighted on a synthetic example. The framework is applied to a Gaussian process model from the literature, which depends on 95 parameters. Noninfluential parameters are discovered through GSA, and a reduced model with equal or stronger predictive capability is constructed by using only 79 parameters.

97 MATHEMATICS AND COMPUTING↗

NASA's Global Precipitation Mission Ground Validation Segment

NASA is designing a Ground Validation Segment (GVS) as one of its contributions to the Global Precipitation Measurement (GPM) mission. The GPM GVS provides an independent means for evaluation, diagnosis, and ultimately improvement of the GPM spaceborne measurements and precipitation products. NASA's GPM GVS concept calls for a combination of direct observations executed within a Multidimensional Observing Volume (MOV) and model-based analyses executed by a Satellite Simulator Model (SSM). The MOV consists of ground-based instruments that measure local surface and atmospheric properties required for GPM validation. The SSM utilizes MOV measurements in a forward numerical model. The goal of the SSM forward modeling is calculation of the following properties: top-of-atmosphere microwave radiative quantities to within sensor noise of those measured by the GPM Core Satellite, precipitation quantities identical to those generated by the standard GPM precipitation retrieval algorithms, and quantitative/objective error estimates of both sets of quantities. At present, the GVS is in the early design stage and various scenarios have been generated to assess how it will be used in the GPM era. The GPM GVS will be operational in the year prior to the launch of the GPM core satellite, which has a launch date scheduled for December 2010.

GVS (GROUND VALIDATION SEGMENT)↗

Biomechanical Modeling Analysis of Loads Configuration for Squat Exercise

INTRODUCTION: Long duration space travel will expose astronauts to extended periods of reduced gravity. Since gravity is not present to assist loading, astronauts will use resistive and aerobic exercise regimes for the duration of the space flight to minimize loss of bone density, muscle mass and aerobic capacity that occurs during exposure to a reduced gravity environment. Unlike the International Space Station (ISS), the area available for an exercise device in the next generation of spacecraft for travel to the Moon or to Mars is limited and therefore compact resistance exercise device prototypes are being developed. The Advanced Resistive Exercise Device (ARED) currently on the ISS is being used as a benchmark for the functional performance of these new devices. Biomechanical data collection and computational modeling aid the device design process by quantifying the joint torques and the musculoskeletal forces that occur during exercises performed on the prototype devices. METHODS The computational models currently under development utilize the OpenSim [1] software platform, consisting of open source code for musculoskeletal modeling, using biomechanical input data from test subjects for estimation of muscle and joint loads. The OpenSim Full Body Model [2] is used for all analyses. The model incorporates simplified wrap surfaces, a new knee model and updated lower body muscle parameters derived from cadaver measurements and magnetic resonance imaging of young adults. The upper body uses torque actuators at the lumbar and extremity joints. The test subjects who volunteer for this study are instrumented with reflective markers for motion capture data collection while performing squat exercising on the Hybrid Ultimate Lifting Kit (HULK) prototype device (ZIN Technologies, Middleburg Heights, OH). Ground reaction force data is collected with force plates under the feet, and device loading is recorded through load cells internal to the HULK. Test variables include the applied device load and the dual cable long bar or single cable T-bar interface between the test subject and the device. Data is also obtained using free weights with the identical loading for a comparison to the resistively loaded exercise device trials. The data drives the OpenSim biomechanical model, which has been scaled to match the anthropometrics of the test subject, to calculate the body loads. RESULTS Lower body kinematics, joint moments, joint forces and muscle forces are obtained from the OpenSim biomechanical analysis of the squat exercises under different loading conditions. Preliminary results from the model for the loading conditions will be presented as will hypotheses developed for follow on work.

Human Factors Engineering↗

Establishing a Numerical Modeling Framework for Hydrologic Engineering Analyses of Extreme Storm Events

In this study a numerical modeling framework for simulating extreme storm events was established using the Weather Research and Forecasting (WRF) model. Such a framework is necessary for the derivation of engineering parameters such as probable maximum precipitation that are the cornerstone of large water management infrastructure design. Here this framework was built based on a heavy storm that occurred in Nashville (USA) in 2010, and verified using two other extreme storms. To achieve the optimal setup, several combinations of model resolutions, initial/boundary conditions (IC/BC), cloud microphysics and cumulus parameterization schemes were evaluated using multiple metrics of precipitation characteristics. The evaluation suggests that WRF is most sensitive to IC/BC option. Simulation generally benefits from finer resolutions up to 5 km. At the 15km level, NCEP2 IC/BC produces better results, while NAM IC/BC performs best at the 5km level. Recommended model configuration from this study is: NAM or NCEP2 IC/BC (depending on data availability), 15km or 15km-5km nested grids, Morrison microphysics and Kain-Fritsch cumulus schemes. Validation of the optimal framework suggests that these options are good starting choices for modeling extreme events similar to the test cases. This optimal framework is proposed in response to emerging engineering demands of extreme storm events forecasting and analyses for design, operations and risk assessment of large water infrastructures.

atmospheric model↗

Uncertainty quantification in ToxCast high throughput screening

High throughput screening (HTS) projects like the U.S. Environmental Protection Agency’s ToxCast program are required to address the large and rapidly increasing number of chemicals for which we have little to no toxicity measurements. Concentration-response parameters such as potency and efficacy are extracted from HTS data using nonlinear regression, and models and analyses built from these parameters are used to predict in vivo and in vitro toxicity of thousands of chemicals. How these predictions are impacted by uncertainties that stem from parameter estimation and propagated through the models and analyses has not been well explored. While data size and complexity makes uncertainty quantification computationally expensive for HTS datasets, continued advancements in computational resources have allowed these computational challenges to be met. This study uses nonparametric bootstrap resampling to calculate uncertainties in concentration-response parameters from a variety of HTS assays. Using the ToxCast estrogen receptor model for bioactivity as a case study, we highlight how these uncertainties can be propagated through models to quantify the uncertainty in model outputs. Uncertainty quantification in model outputs is used to identify potential false positives and false negatives and to determine the distribution of model values around semi-arbitrary activity cutoffs, increasing confidence in model predictions. At the individual chemical-assay level, curves with high variability are flagged for manual inspection or retesting, focusing subject-matter-expert time on results that need further input. This work improves the confidence of predictions made using HTS data, increasing the ability to use this data in risk assessment.

59 BASIC BIOLOGICAL SCIENCES↗

The New NASA Orbital Debris Engineering Model ORDEM2000

The NASA Orbital Debris Program Office at Johnson Space Center has developed a new computer-based orbital debris engineering model, ORDEM2000, which describes the orbital debris environment in the low Earth orbit region between 200 and 2000 km altitude. The model is appropriate for those engineering solutions requiring knowledge and estimates of the orbital debris environment (debris spatial density, flux, etc.). ORDEM2000 can also be used as a benchmark for ground-based debris measurements and observations. We incorporated a large set of observational data, covering the object size range from 10 mm to 10 m, into the ORDEM2000 debris database, utilizing a maximum likelihood estimator to convert observations into debris population probability distribution functions. These functions then form the basis of debris populations. We developed a finite element model to process the debris populations to form the debris environment. A more capable input and output structure and a user-friendly graphical user interface are also implemented in the model. ORDEM2000 has been subjected to a significant verification and validation effort. This document describes ORDEM2000, which supersedes the previous model, ORDEM96. The availability of new sensor and in situ data, as well as new analytical techniques, has enabled the construction of this new model. Section 1 describes the general requirements and scope of an engineering model. Data analyses and the theoretical formulation of the model are described in Sections 2 and 3. Section 4 describes the verification and validation effort and the sensitivity and uncertainty analyses. Finally, Section 5 describes the graphical user interface, software installation, and test cases for the user.

Liou, Jer-Chyi↗

Evaluation and Interpretation of Properties for Saltstone Cores Extracted from an SDU - 17344

Extraction and subsequent analysis of emplaced saltstone samples from a Savannah River Site (SRS) Saltstone Disposal Unit (SDU) were performed in order to realize the following key objectives: (1) to support the use of historical and future laboratory-derived sample data to predict the behavior of field-emplaced samples, and (2) to substantiate the saltstone properties currently assumed in Saltstone Disposal Facility (SDF) transport modeling, i.e., Performance Assessment (PA) and Special Analyses (SA) models. Multiple cores were extracted via a wet core drilling process in April-May 2015 approximately 20 months after the saltstone of interest was processed in the Saltstone Production Facility (SPF) and subsequently emplaced in SDU Cell 2A (SDU2A). The retrieved samples were stored in an inert N{sub 2} environment prior to, and during, the property testing that took place between October 2015 and March 2016. Sample analyses comprised evaluation of physical properties (density, porosity, and moisture content), saturated hydraulic conductivity (K{sub sat}), and determination of distribution coefficients and solubilities for key radionuclides. In general the SDU2A samples indicated comparative properties to laboratory-prepared samples and additionally verified many of the inputs currently assumed in the SDF PA. The principal exception was related to the leaching characteristics of I-129, which demonstrated a lower than anticipated affinity for retention within the saltstone matrix. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

SITCOMTN-161: PSF assessment in the field of Abell 360 and shapeHSM shear profile using LSSTComCam data

The Rubin LSSTComCam on-sky campaign performed at the end of 2024 provided observations of the Abell 360 galaxy cluster; these data allow a preliminary study of cluster weak lensing analysis using Rubin Data Preview 1 (DP1) data. Among all the steps required for such analyses, accurate modeling of the PSF is essential. This work uses several diagnostics, mostly based on the residuals between the second moments of stars and the PSF model, to characterize the accuracy of the PSF modeling in the A360 field. We find the level of the residuals to be sufficiently low not to hinder the measurement of the tangential shear profile around A360. With a simple source selection process, we demonstrate that outputs of the LSST Science Pipelines can be used to detect the tangential shear profile in Abell 360 at the 3.6σ level, and our analysis indicates that contamination from PSF modeling systematics is negligible.

Dell'Antonio, Ian [Brown University]↗

Unified Dark Matter scalar field models with fast transition

We investigate the general properties of Unified Dark Matter (UDM) scalar field models with Lagrangians with a non-canonical kinetic term, looking specifically for models that can produce a fast transition between an early Einstein-de Sitter CDM-like era and a later Dark Energy like phase, similarly to the barotropic fluid UDM models in JCAP01(2010)014. However, while the background evolution can be very similar in the two cases, the perturbations are naturally adiabatic in fluid models, while in the scalar field case they are necessarily non-adiabatic. The new approach to building UDM Lagrangians proposed here allows to escape the common problem of the fine-tuning of the parameters which plague many UDM models. We analyse the properties of perturbations in our model, focusing on the the evolution of the effective speed of sound and that of the Jeans length. With this insight, we can set theoretical constraints on the parameters of the model, predicting sufficient conditions for the model to be viable. An interesting feature of our models is that what can be interpreted as w{sub DE} can be < −1 without violating the null energy conditions.

79 ASTRONOMY AND ASTROPHYSICS↗

Biomass Scenario Model Documentation: Data and References

The Biomass Scenario Model (BSM) is a system dynamics model that represents the entire biomass-to-biofuels supply chain, from feedstock to fuel use. The BSM is a complex model that has been used for extensive analyses; the model and its results can be better understood if input data used for initialization and calibration are well-characterized. It has been carefully validated and calibrated against the available data, with data gaps filled in using expert opinion and internally consistent assumed values. Most of the main data sources that feed into the model are recognized as baseline values by the industry. This report documents data sources and references in Version 2 of the BSM (BSM2), which only contains the ethanol pathway, although subsequent versions of the BSM contain multiple conversion pathways. The BSM2 contains over 12,000 total input values, with 506 distinct variables. Many of the variables are opportunities for the user to define scenarios, while others are simply used to initialize a stock, such as the initial number of biorefineries. However, around 35% of the distinct variables are defined by external sources, such as models or reports. The focus of this report is to provide insight into which sources are most influential in each area of the supply chain.

09 BIOMASS FUELS↗

Finite element analysis of the Space Shuttle Main Engine (SSME) alternate turbopump development (ATD) high pressure oxydizer turbopump (HPOTP)

A 3D model of all stationary components of the ATD HPOTP is analyzed using a superelement solution technique to obtain a better understanding of the pump behavior and to support pump testing. Emphasis is place on the methods used for determining deflections. As part of the model verification, analyses were conducted on the main housing model under proof-pressure and push-test loading conditions. The analysis at 109 percent rate power level resulted in asymmetric deformation patterns which were used to calculate operating and rub clearances. The present analysis is considered to provide the most realistic representation of the ATD HPOTP to date.

Ham-Battista, G. L.↗

Anthropogenic Nitrogen Inputs and Impacts on Oceanic N2O Fluxes in the Northern Indian Ocean: the Need for an Integrated Observation and Modelling Approach

Anthropogenically-derived nitrogen input to the northern Indian Ocean has increased significantly in recent decades, based on both observational and model derived estimates This external nutrient source is supplied by atmospheric deposition and riverine fluxes, and has the potential to affect the vulnerable biogeochemical systems of the Arabian Sea and Bay of Bengal, influencing productivity and oceanic production of the greenhouse-gas nitrous-oxide (N2O). We summarize current estimates of this external nitrogen source to the northern Indian Ocean from observations and models, highlight implications for regional marine N2O emissions using model-based analyses, and make recommendations for measurement and model needs to improve current estimates and future predictions of this impact. Current observationally-derived estimates of deposition and riverine nitrogen inputs are limited by sparse measurements and uncertainties on accurate characterization of nitrogen species composition. Ocean model assessments of the impact of external nitrogen sources on regional marine N2O production in the northern Indian Ocean estimate potentially significant changes but also have large associated uncertainties. We recommend an integrated program of basin-wide measurements combined with high-resolution modeling and more detailed characterization of nitrogen-cycle process to address these uncertainties and improve current estimates and predictions.

Parvadha Suntharalingam↗

Far-Field Acoustic Power Level and Performance Analyses of F31/A31 Open Rotor Model at Simulated Scaled Takeoff, Nominal Takeoff, and Approach Conditions: Technical Report I

Far-field acoustic power level and performance analyses of open rotor model F31/A31 have been performed to determine its noise characteristics at simulated scaled takeoff, nominal takeoff, and approach flight conditions. The nonproprietary parts of the data obtained from experiments in 9- by 15-Foot Low-Speed Wind Tunnel (915 LSWT) tests were provided by NASA Glenn Research Center to perform the analyses. The tone and broadband noise components have been separated from raw test data by using a new data analysis tool. Results in terms of sound pressure levels, acoustic power levels, and their variations with rotor speed, angle of attack, thrust, and input shaft power have been presented and discussed. The effect of an upstream pylon on the noise levels of the model has been addressed. Empirical equations relating model's acoustic power level, thrust, and input shaft power have been developed. The far-field acoustic efficiency of the model is also determined for various simulated flight conditions. It is intended that the results presented in this work will serve as a database for comparison and improvement of other open rotor blade designs and also for validating open rotor noise prediction codes.

Prop-Fan Technology↗

Downscaling Global Land Cover Projections from an Integrated Assessment Model for Use in Regional Analyses: Results and Evaluation for the US from 2005 to 2095

Projections of land cover change generated from Integrated Assessment Models (IAM) and other economic-based models can be applied for analyses of environmental impacts at subregional and landscape scales. For those IAM and economic models that project land use at the sub-continental or regional scale, these projections must be downscaled and spatially distributed prior to use in climate or ecosystem models. Downscaling efforts to date have been conducted at the national extent with relatively high spatial resolution (30m) and at the global extent with relatively coarse spatial resolution (0.5 degree).

West, Tristram O.↗