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At least 1,369 records · Page 76

Scoping assessments and review of sub-scale models in support of DuraMAT Predictive Simulation Capability Area #2

The goal of the DuraMAT Predictive Simulation Capability Area is to develop a suite of modeling and simulation tools to enhance understanding of module-level thermo-mechanical-electrical effects contributing to degradation of solar photovoltaic modules. Since these effects invoke multiple physical mechanisms and take place over greatly varied time- and length- scales, developing a module-level model of sufficient resolution to capture all geometries and physics of interest was expected to be near code capability and computational resource limits. A series of sub-models and workflows were developed to assess physics and material model maturity and the necessary computational capacity for resolving degradation mechanisms of interest. Knowledge gained from these activities help to better scope future development efforts, in line with available computational and code capabilities. This memo serves as the DuraMAT Quarterly Progress Indicator (QPI) for Quarter 3 of Fiscal Year 2017 (Project Quarter 1 / Month 3), and documents completion of Milestone Subtask 2.2.1.

14 SOLAR ENERGY↗

Review of Life Cycle Cost Analysis Tools

Life cycle costing (LCC) is a vital aspect of decision-making in building retrofitting. It allows stakeholders to thoroughly assess all expenses involved throughout the lifespan of these retrofits, covering initial costs; ongoing operation, maintenance, and repair costs; and disposal costs of the system. The Federal Energy Management Program of the US Department of Energy has established clear guidelines for conducting LCC analysis, particularly for investments aimed at energy and water conservation, as well as renewable energy projects. These guidelines are detailed in the Code of Federal Regulations, 10 CFR 436, Subpart A, which outlines the methodology and procedure for LCC analysis (Department of Energy 1990). The National Institute of Standards and Technology (NIST) has developed the NIST Handbook 135 (Joshua Kneifel 2022) to standardize the process of LCC analysis within the building industry. Whereas the handbook is tailored to the needs of federal agencies, its principles and methodologies can be valuable for other organizations and industries interested in conducting life cycle costing analyses for their building projects.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Review of the probabilistic failure analysis methodology and other probabilistic approaches for application in aerospace structural design

Probabilistic structural analyses and design methods are steadily gaining acceptance within the aerospace industry. The safety factor approach to design has long been the industry standard, and it is believed by many to be overly conservative and thus, costly. A probabilistic approach to design may offer substantial cost savings. This report summarizes several probabilistic approaches: the probabilistic failure analysis (PFA) methodology developed by Jet Propulsion Laboratory, fast probability integration (FPI) methods, the NESSUS finite element code, and response surface methods. Example problems are provided to help identify the advantages and disadvantages of each method.

Townsend, J.↗

ESD Reviews: Model Dependence in Multi-Model Climate Ensembles: Weighting, Sub-Selection and Out-Of-Sample Testing

The rationale for using multi-model ensembles in climate change projections and impacts research is often based on the expectation that different models constitute independent estimates; therefore, a range of models allows a better characterisation of the uncertainties in the representation of the climate system than a single model. However, it is known that research groups share literature, ideas for representations of processes, parameterisations, evaluation data sets and even sections of model code. Thus, nominally different models might have similar biases because of similarities in the way they represent a subset of processes, or even be near-duplicates of others, weakening the assumption that they constitute independent estimates. If there are near-replicates of some models, then treating all models equally is likely to bias the inferences made using these ensembles. The challenge is to establish the degree to which this might be true for any given application. While this issue is recognised by many in the community, quantifying and accounting for model dependence in anything other than an ad-hoc way is challenging. Here we present a synthesis of the range of disparate attempts to define, quantify and address model dependence in multi-model climate ensembles in a common conceptual framework, and provide guidance on how users can test the efficacy of approaches that move beyond the equally weighted ensemble. In the upcoming Coupled Model Intercomparison Project phase 6 (CMIP6), several new models that are closely related to existing models are anticipated, as well as large ensembles from some models. We argue that quantitatively accounting for dependence in addition to model performance, and thoroughly testing the effectiveness of the approach used will be key to a sound interpretation of the CMIP ensembles in future scientific studies.

Abramowitz, Gab↗

On the development of the quantitative texture analysis and its application in solving problems of the Earth sciences

A history of texture analysis (TA) evolution is shown, beginning from the first experimental and theoretical attempts to find and characterize preferred orientations of crystal lattices of grains in real polycrystalline samples. Stages of formation of TA theoretical apparatus, its basic elements, and also application of its capabilities for quantitatively describing anisotropic properties of textured samples are discussed. Attention is also paid to the limitations and difficulties associated with the analysis. The application of the quantitative TA apparatus is demonstrated by example describing elastic properties of textured materials up to multiphase samples containing pores and cracks. A wide scope of TA includes the analysis based on neutron scattering which has been effectively developed at the Frank Laboratory of Neutron Physics. A practical opportunity to determine the bulk crystallographic textures of single-phase and multiphase materials is offered by the use of modern neutron diffractometers, including the SKAT diffractometer at the IBR-2 pulsed reactor. This is especially important for studying samples of natural rocks. The examples given show how the neutron scattering data for the quantitative TA are used in combination with other physical and petrological methods for solving fundamental problems of geology and geophysics based on the analysis of a structure and properties of the Earth’s lithosphere matter. The review includes a detailed list of references of original works concerning the TA elaboration, overview publications and monographs, and also information on the most popular TA-related software.

36 MATERIALS SCIENCE↗

Radiometric characterization process for locating radioactivity hold-up and measuring non-uniformly distributed sources - 15342

A novel approach to facility radiometric characterization for non-uniformly distributed radiation sources has been developed by ANTECH and is currently being employed at the Argonne National Laboratory. It is being applied to the measurement of a wide range of objects and the interiors and contents of laboratories and buildings. The integrated non destructive assay measurement process involves the use of a scanning spectroscopic gamma ray camera as well as high purity Germanium detectors with different collimators and hence differing detector fields of view to measure and quantify non-uniformly distributed sources of radioactivity in laboratory equipment, glove boxes, storage tanks, pipework and general laboratory objects and process components. The purpose of the radiometric characterization is to quantify radiation sources and radioactive contamination levels in facilities containing nuclear material and to ensure compliance with facility characterization requirements and for decontamination and decommissioning planning and execution. The integrated measurement process also involves automated data capture and processing software and a database with which both measurement instrument operators and subject matter expert analysts can interact. An appropriate measuring instrument (gamma camera, scintillation detector, high purity Germanium detector system, neutron detector or alpha-beta counter) records the measurement data and the measurement site is recorded in a photograph. All of the data relevant to the measurement (or set of measurements for a particular object) are recorded in the database including measured gamma ray spectra, equipment description and relevant calibration, measurement site photograph and measurement descriptive data. Once data analysis protocols are established for specific geometries and measurement situations they can be applied to the measured data in a partially automated manner, reducing analysis and transcription errors. In addition to measurements and data analysis the process also utilises radiometric modelling computer codes including MicroShield and Monte Carlo Neutrons Photons in order to perform model calculations where appropriate. In a typical measurement, the ANTECH RadSearch spectroscopic gamma camera is utilized to find areas of concentrated activity so that these areas can be measured and calculated separately from areas with diffuse contamination. The use of the gamma camera in scanning mode helps to ensure that the assay does not overestimate the detected radiation source, which is a frequent consequence of using standard far field geometry and attenuation analysis codes that assume uniformity of both density and radioactive source distribution. Once the hot spots are identified, high purity Germanium detector measurements are made using various collimators with wide or narrow fields of view as required. These measurements are then processed through a semi-automatic calculation process assuming an appropriate source configuration as identified by RadSearch. These source configurations include point sources, line sources or surface sources. The Generalized Geometry Hold-up algorithms are employed to determine an estimate of the activity of the various sources that are identified in a measurement. The ANTECH integrated measurement process provides an automated calculation procedure where the analyst can select the source type, geometry and appropriate input data, and then the software calculates the activity by radionuclide for all sources identified in the measurement. The measurement and analysis process is controlled under the ANTECH ISO9001: 2008 Quality Assurance System and managed by a site specific Quality Assurance Plan. Both Argonne National Laboratory and Department of Energy technical reviewers have vetted the Integrated Measurement and Analysis Process. The application of the measurement and analysis process is described and measurement examples are provided. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Structure and structure-preserving algorithms for plasma physics

Hamiltonian and action principle (HAP) formulations of plasma physics are reviewed for the purpose of explaining structure preserving numerical algorithms. Geometric structures associated with and emergent from HAP formulations are discussed. These include conservative integration, which exactly conserves invariants, symplectic integration, which exactly preserves the Hamiltonian geometric structure, and other Hamiltonian integration techniques. Basic ideas of variational integration and Poisson integration, which can preserve the noncanonical Hamiltonian structure, are discussed. Metriplectic integration, which preserves the structure of conservative systems with both Hamiltonian and dissipative parts, is proposed. Two kinds of simulated annealing, a relaxation technique for obtaining equilibrium states, are reviewed: one that uses metriplectic dynamics, which maximizes an entropy at fixed energy, and the other that uses double bracket dynamics, which preserves Casimir invariants. Throughout, applications to plasma systems are emphasized. The paper concludes with a discussion of geometric electromagnetic particle-in-cell [Kraus et al., J. Plasma Phys. (to be published); e-print arXiv:1609.03053v1 [math.NA]], a particle in cell code that incorporates Hamiltonian and geometrical structure preserving properties.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Study of Photonuclear Reactions near the Threshold at an Electron Accelerator and a Femtosecond Laser

A brief review of the works devoted to studying the photonuclear reactions near the threshold at the LUE-8.5 MeV linear electron accelerator of the Institute for Nuclear Research of the Russian Academy of Sciences and the terawatt femtosecond laser complex of the International Laser Center at Moscow State University is provided. The main focus of attention is the simulation of the experiments using the GEANT-4 code. This allowed us to compare the possibilities of different methods and determine the main directions of future research.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

The Dark Machines Anomaly Score Challenge: Benchmark Data and Model Independent Event Classification for the Large Hadron Collider

We describe the outcome of a data challenge conducted as part of the Dark Machines (https://www.darkmachines.org) initiative and the Les Houches 2019 workshop on Physics at TeV colliders. The challenged aims to detect signals of new physics at the Large Hadron Collider (LHC) using unsupervised machine learning algorithms. First, we propose how an anomaly score could be implemented to define model-independent signal regions in LHC searches. We define and describe a large benchmark dataset, consisting of >1 billion simulated LHC events corresponding to 10\, fb^{-1} 10 f b − 1 of proton-proton collisions at a center-of-mass energy of 13 TeV. We then review a wide range of anomaly detection and density estimation algorithms, developed in the context of the data challenge, and we measure their performance in a set of realistic analysis environments. We draw a number of useful conclusions that will aid the development of unsupervised new physics searches during the third run of the LHC, and provide our benchmark dataset for future studies at https://www.phenoMLdata.org. Code to reproduce the analysis is provided at https://github.com/bostdiek/DarkMachines-UnsupervisedChallenge.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Integral and Separate Effects Tests for Thermal Hydraulics Code Validation for Liquid-Salt Cooled Nuclear Reactors

The objective of the 3-year project was to collect integral effects test (IET) data to validate the RELAP5-3D code and other thermal hydraulics codes for use in predicting the transient thermal hydraulics response of liquid salt cooled reactor systems, including integral transient response for forced and natural circulation operation. The reference system for the project is a modular, 900-MWth Pebble Bed Advanced High Temperature Reactor (PB-AHTR), a specific type of Fluoride salt-cooled High temperature Reactor (FHR). Two experimental facilities were developed for thermal-hydraulic integral effects tests (IETs) and separate effects tests (SETs). The facilities use simulant fluids for the liquid fluoride salts, with very little distortion to the heat transfer and fluid dynamics behavior. The CIET Test Bay facility was designed, built, and operated. IET data for steady state and transient natural circulation was collected. SET data for convective heat transfer in pebble beds and straight channel geometries was collected. The facility continues to be operational and will be used for future experiments, and for component development. The CIET 2 facility is larger in scope, and its construction and operation has a longer timeline than the duration of this grant. The design for the CIET 2 facility has drawn heavily on the experience and data collected on the CIET Test Bay, and it was completed in parallel with operation of the CIET Test Bay. CIET 2 will demonstrate start-up and shut-down transients and control logic, in addition to LOFC and LOHS transients, and buoyant shut down rod operation during transients. Design of the CIET 2 Facility is complete, and engineering drawings have been submitted to an external vendor for outsourced quality controlled construction. CIET 2 construction and operation continue under another NEUP grant. IET data from both CIET facilities is to be used for validation of system codes used for FHR modeling, such as RELAP5-3D. A set of numerical models were developed in parallel to the experimental work. RELAP5-3D models were developed for the salt-cooled PB-AHTR, and for the simulat fluid CIET natural circulation experimental loop. These models are to be validated by the data collected from CIET. COMSOL finite element models were used to predict the temperature and fluid flow distribution in the annular pebble bed core; they were instrumental for design of SETs, and they can be used for code-to-code comparisons with RELAP5-3D. A number of other small SETs, and numerical models were constructed, as needed, in support of this work. The experiments were designed, constructed and performed to meet CAES quality assurance requirements for test planning, implementation, and documentation; equipment calibration and documentation, procurement document control; training and personnel qualification; analysis/modeling software verification and validation; data acquisition/collection and analysis; and peer review.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Innovations in Building Energy Modeling: Research and Development Opportunities for Emerging Technologies

Building energy modeling (BEM) is a multipurpose tool for building energy efficiency (EE). The U.S. Department of Energy Building Technologies Office (BTO) seeks to expand the use and effectiveness of BEM in the design and operation of commercial and residential buildings with the goal of achieving lasting reductions in total and peak energy use. This report identifies gaps and outlines recommended initiatives to achieve this goal, based on a combination of technical analysis and stakeholder input. In addition to BTO, this report can benefit BEM professionals (architects, mechanical engineers, energy consultants, building auditors, equipment manufacturers, and BEM software vendors) and BEM clients (building owners and operators, EE program administrators, EE service providers, policymakers, and policy and code jurisdictions such as states and cities). This report was developed in two phases. In the first, BTO worked with a team from Navigant Consulting (now Guidehouse) to characterize objectives, opportunities, and current activities; identify gaps and barriers; and define initiatives. To collect input, Navigant conducted telephone interviews and workshops with industry experts. The initial phase produced a draft report, which was released for public review in 2016 and yielded over 400 comments. Based on these comments, BTO compiled a second draft report that addressed many of those comments while acknowledging changes that had occurred both at BTO and in the industry. Unlike the first draft report, the second focused much more heavily on BTO’s own role, portfolio, and activities. BTO is a direct player in the BEM field - it funds the development of several significant software packages that are embedded in commercial products - and transparency about its goals and future plans is requisite. BTO recognizes that a great number of other public and private organizations contribute to the BEM enterprise. With the second draft report, BTO did not attempt to produce a blueprint for the industry as a whole, but rather a working document BTO can use to iteratively solicit stakeholder input and synthesize it into a program. BTO released the second draft report for public review in 2019. The second round of review generated 83 pages of feedback and comments - almost exactly the length of the draft report itself - a significant portion of which was collected and synthesized by IBPSA-USA Advocacy Committee. This final report incorporates this feedback. This report does not address the use of BEM in support of building-based grid services, a recent BTO initiative called Grid-interactive Efficient Buildings (GEB). In 2019, BTO published a report that specifically addresses the role of BEM - and other “integration” technologies - in GEB.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

A review of reaction rates and thermodynamic and transport properties for an 11-species air model for chemical and thermal nonequilibrium calculations to 30000 K

Reaction rate coefficients and thermodynamic and transport properties are reviewed and supplemented for the 11-species air model which can be used for analyzing flows in chemical and thermal nonequilibrium up to temperatures of 3000 K. Such flows will likely occur around currently planned and future hypersonic vehicles. Guidelines for determining the state of the surrounding environment are provided. Curve fits are given for the various species properties for their efficient computation in flowfield codes. Approximate and more exact formulas are provided for computing the properties of partially ionized air mixtures in a high energy environment. Limitations of the approximate mixing laws are discussed for a mixture of ionized species. An electron number-density correction for the transport properties of the charged species is obtained. This correction has been generally ignored in the literature.

Gupta, Roop N.↗

Knowledge representation requirements for model sharing between model-based reasoning and simulation in process flow domains

The paper examines the requirements for the reuse of computational models employed in model-based reasoning (MBR) to support automated inference about mechanisms. Areas in which the theory of MBR is not yet completely adequate for using the information that simulations can yield are identified, and recent work in these areas is reviewed. It is argued that using MBR along with simulations forces the use of specific fault models. Fault models are used so that a particular fault can be instantiated into the model and run. This in turn implies that the component specification language needs to be capable of encoding any fault that might need to be sensed or diagnosed. It also means that the simulation code must anticipate all these faults at the component level.

Throop, David R.↗

Solar soft cost ontology: a review of solar soft costs

The continued deployment of renewable energy is critical to the energy transition necessary for climate change mitigation. Since cost is one of the primary drivers of solar adoption, we must continue to reduce the cost of solar to hasten the transition to clean energy. Currently, solar soft costs account for 52%–70% of the cost of an installed residential solar photovoltaic (PV) system in the U.S. These costs are persistent and an increasing share of the costs, since hardware costs continue to decline. The consensus on a definition of soft costs is 'non-hardware costs', but defining something by what it is not does not tell us what it is, which makes it difficult to study and understand. To this end, we developed the solar soft cost ontology (SSCO) to provide a comprehensive view of the complex and variable knowledge domain of solar soft costs. In this work, we identify the main categories of solar soft costs, how they relate to each other, how that knowledge is created, shared, and acquired, and the relevant actors in the solar soft cost knowledge ecosystem. Developed by coding a corpus of nearly 130 academic articles, the resulting ontology in web ontology language (OWL) includes 136 classes and 87 properties. The SSCO can facilitate and enhance knowledge transfer of research findings and best practices within and between stakeholder communities, including researchers, practitioners, and policy makers, that seek to address solar soft costs. We conclude with a discussion of potential applications and use cases for the SSCO among this diverse stakeholder community.

14 SOLAR ENERGY↗

Light-harvesting antenna complexes in the moss Physcomitrella patens: implications for the evolutionary transition from green algae to land plants

Plants have successfully adapted to a large range of terrestrial environments during their evolution. To elucidate the evolutionary transition of light-harvesting antenna proteins from green algae to land plants, the moss Physcomitrella patens is ideally placed basally among land plants. Compared to the genomes of green algae and land plants, the P. patens genome codes for more diverse and redundant light-harvesting antenna proteins. It also encodes Lhcb9, which has characteristics not found in other light-harvesting antenna proteins. The unique complement of light-harvesting antenna proteins in P. patens appears to facilitate protein interactions that include those lost in both green algae and land plants with regard to stromal electron transport pathways and photoprotection mechanisms. This review will highlight unique characteristics of the P. patens light-harvesting antenna system and the resulting implications about the evolutionary transition during plant terrestrialization.

59 BASIC BIOLOGICAL SCIENCES↗

Molecular Dynamics Simulation of Complex Reactivity with the Rapid Approach for Proton Transport and Other Reactions (RAPTOR) Software Package

Simulating chemically reactive phenomena such as proton transport on nanosecond to microsecond and beyond time scales is a challenging task. Ab initio methods are unable to currently access these time scales routinely, and traditional molecular dynamics methods feature fixed bonding arrangements that cannot account for changes in the system’s bonding topology. The Multiscale Reactive Molecular Dynamics (MS-RMD) method, as implemented in the Rapid Approach for Proton Transport and Other Reactions (RAPTOR) software package for the LAMMPS molecular dynamics code, offers a method to routinely sample longer time scale reactive simulation data with statistical precision. RAPTOR may also be interfaced with enhanced sampling methods to drive simulations toward the analysis of reactive rare events, and a number of collective variables (CVs) have been developed to facilitate this. Key advances to this methodology, including GPU acceleration efforts and novel CVs to model water wire formation are reviewed, along with recent applications of the method which demonstrate its versatility and robustness.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Low thrust chemical rocket technology

An on-going technology program to improve the performance of low thrust chemical rockets for spacecraft on-board propulsion applications is reviewed. Improved performance and lifetime is sought by the development of new predictive tools to understand the combustion and flow physics, introduction of high temperature materials and improved component designs to optimize performance, and use of higher performance propellants. Improved predictive technology is sought through the comparison of both local and global predictions with experimental data. Predictions are based on both the RPLUS Navier-Stokes code with finite rate kinetics and the JANNAF methodology. Data were obtained with laser-based diagnostics along with global performance measurements. Results indicate that the modeling of the injector and the combustion process needs improvement in these codes and flow visualization with a technique such as 2-D laser induced fluorescence (LIF) would aid in resolving issues of flow symmetry and shear layer combustion processes. High temperature material fabrication processes are under development and small rockets are being designed, fabricated, and tested using these new materials. Rhenium coated with iridium for oxidation protection was produced by the Chemical Vapor Deposition (CVD) process and enabled an 800 K increase in rocket operating temperature. Performance gains with this material in rockets using Earth storable propellants (nitrogen tetroxide and monomethylhydrazine or hydrazine) were obtained through component redesign to eliminate fuel film cooling and its associated combustion inefficiency while managing head end thermal soakback. Material interdiffusion and oxidation characteristics indicated that the requisite lifetimes of tens of hours were available for thruster applications. Rockets were designed, fabricated, and tested with thrusts of 22, 62, 440 and 550 N. Performance improvements of 10 to 20 seconds specific impulse were demonstrated. Higher performance propellants were evaluated: Space storable propellants, including liquid oxygen (LOX) as the oxidizer with nitrogen hydrides or hydrocarbon as fuels. Specifically, a LOX/hydrazine engine was designed, fabricated, and shown to have a 95 pct theoretical c-star which translates into a projected vacuum specific impulse of 345 seconds at an area ratio of 204:1. Further performance improvment can be obtained by the use of LOX/hydrogen propellants, especially for manned spacecraft applications, and specific designs must be developed and advanced through flight qualification.

Schneider, Steven J.↗

Practical Applications of Cosmic Ray Science: Spacecraft, Aircraft, Ground-Based Computation and Control Systems, and Human Health and Safety

Three twentieth century technological developments, 1) high altitude commercial and military aircraft; 2) manned and unmanned spacecraft; and 3) increasingly complex and sensitive solid state micro-electronics systems, have driven an ongoing evolution of basic cosmic ray science into a set of practical engineering tools needed to design, test, and verify the safety and reliability of modern complex technological systems. The effects of primary cosmic ray particles and secondary particle showers produced by nuclear reactions with the atmosphere, can determine the design and verification processes (as well as the total dollar cost) for manned and unmanned spacecraft avionics systems. Similar considerations apply to commercial and military aircraft operating at high latitudes and altitudes near the atmospheric Pfotzer maximum. Even ground based computational and controls systems can be negatively affected by secondary particle showers at the Earth s surface, especially if the net target area of the sensitive electronic system components is large. Finally, accumulation of both primary cosmic ray and secondary cosmic ray induced particle shower radiation dose is an important health and safety consideration for commercial or military air crews operating at high altitude/latitude and is also one of the most important factors presently limiting manned space flight operations beyond low-Earth orbit (LEO). In this paper we review the discovery of cosmic ray effects on the performance and reliability of microelectronic systems as well as human health and the development of the engineering and health science tools used to evaluate and mitigate cosmic ray effects in ground-based atmospheric flight, and space flight environments. Ground test methods applied to microelectronic components and systems are used in combinations with radiation transport and reaction codes to predict the performance of microelectronic systems in their operating environments. Similar radiation transport codes are used to evaluate possible human health effects of cosmic ray exposure, however, the health effects are based on worst-case analysis and extrapolation of a very limited human exposure data base combined with some limited experimental animal data. Finally, the limitations on human space operations beyond low-Earth orbit imposed by long term exposure to galactic cosmic rays are discussed.

Atwell, William↗