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DOE OSTI2020

Microsimulation of Energy and Flow Effects from Optimal Automated Driving in Mixed Traffic

In this paper we study the energy and traffic impact of a proposed Anticipative Cruise Controller in a PTV VISSIM microsimulation environment. We dissect our controller into two parts: 1. the unconnected mode, active when following a human-driven vehicle, and 2. the connected mode, active when following another automated vehicle equipped with connectivity. Probabilistic constraints balance safety considerations with inter-vehicle compactness, and vehicle constraints for acceleration capabilities are expressed through the use of powertrain maps. Emergent highway traffic scenarios are then modeled using time headway distributions from empirical traffic data. To study the impact of automation over a range of demands of free-flow to stop-and-go, we vary vehicle flux from low to high and vary automated vehicle penetration from low to high. When examining all-human driving scenarios, network capacity failed to meet demand in high-volume scenarios, such as rush-hour traffic. We further find that with connected automated vehicles introduced, network capacity was improved to support the high-volume scenarios. Finally, we examine energy efficiencies of the fleet for conventional, electric, and hybrid vehicles. We find that automated vehicles perform at a 10%-20% higher energy efficiency over human drivers when considering conventional powertrains, and find that automated vehicles perform at a 3%-9% higher energy efficiency over human drivers when considering electric and hybrid powertrains. Due to secondary effects of smoothing traffic flow and reducing unnecessary braking, energy benefits also apply to human-driven vehicles that interact with automated ones. Such simulated humans were found to drive up to 10% more energy-efficiently than they did in the baseline all-human scenario.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2016

Predicting Ice Sheet and Climate Evolution at Extreme Scales

A main research objectives of PISCEES is the development of formal methods for quantifying uncertainties in ice sheet modeling. Uncertainties in simulating and projecting mass loss from the polar ice sheets arise primarily from initial conditions, surface and basal boundary conditions, and model parameters. In general terms, two main chains of uncertainty propagation may be identified: 1. inverse propagation of observation and/or prior onto posterior control variable uncertainties; 2. forward propagation of prior or posterior control variable uncertainties onto those of target output quantities of interest (e.g., climate indices or ice sheet mass loss). A related goal is the development of computationally efficient methods for producing initial conditions for an ice sheet that are close to available present-day observations and essentially free of artificial model drift, which is required in order to be useful for model projections (“initialization problem”). To be of maximum value, such optimal initial states should be accompanied by “useful” uncertainty estimates that account for the different sources of uncerainties, as well as the degree to which the optimum state is constrained by available observations. The PISCEES proposal outlined two approaches for quantifying uncertainties. The first targets the full exploration of the uncertainty in model projections with sampling-based methods and a workflow managed by DAKOTA (the main delivery vehicle for software developed under QUEST). This is feasible for low-dimensional problems, e.g., those with a handful of global parameters to be inferred. This approach can benefit from derivative/adjoint information, but it is not necessary, which is why it often referred to as “non-intrusive”. The second approach makes heavy use of derivative information from model adjoints to address quantifying uncertainty in high-dimensions (e.g., basal boundary conditions in ice sheet models). The use of local gradient, or Hessian information (i.e., second derivatives of the cost function), requires additional code development and implementation, and is thus often referred to as an “intrusive” approach. Within PISCEES, MIT has been tasked to develop methods for derivative-based UQ, the ”intrusive” approach discussed above. These methods rely on the availability of first (adjoint) and second (Hessian) derivative code, developed through intrusive methods such as algorithmic differentiation (AD). While representing a significant burden in terms of code development, derivative-baesd UQ is able to cope with very high-dimensional uncertainty spaces. That is, unlike sampling methods (all variations of Monte Carlo), calculational burden is independent of the dimension of the uncertainty space. This is a significant advantage for spatially distributed uncertainty fields, such as threedimensional initial conditions, three-dimensional parameter fields, or two-dimensional surface and basal boundary conditions. Importantly, uncertainty fields for ice sheet models generally fall into this category.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Foundations of Molecular 'Isotomics'

The naturally occurring rare isotopes are versions of common elements, such as hydrogen, carbon and oxygen, that contain a larger than usual number of neutrons in their atomic nuclei and therefore are higher in mass than the common atoms of that element. Isotopes exist for most elements and are found in most natural and synthetic materials, but are uneven in their distribution because chemical and physical processes are isotope-selective (e.g., a chemical reaction may proceed more rapidly for one isotope than for another). For this reason, abundances of isotopes in a material of interest can provide a record, or ‘signature’ of various features of that material’s origin and history. These signatures have been used in the geo, life, chemical and physical sciences in a wide variety of ways over close to 8 decades. However, many such applications struggle to reach unique interpretations of isotopic data because multiple factors combine to control a given sample’s overall isotopic content. That is, the factors controlling isotopic content are too numerous and complex to fully constrain from a simple measurement of a material’s isotope abundances. However, the distribution of isotopes within materials, at molecular scales potentially provides a vastly larger number and diversity of constraints on the chemical and physical processes that comprise a material’s history. The rare isotopes may be concentrated into one atomic position in a molecule relative to another, some proportion of molecules in a sample may contain two or more rare isotopes, and those multiply-isotope-substituted forms of molecules may also have uneven distributions of those isotopes across individual atomic sites. For these reasons, even small, seemingly simple molecules, such as sugars, amino acids or drug compounds, actually exist in a vast number of isotopically unique forms (often millions or more), and each one of those forms is in some sense an independent ‘vote’ on that sample’s history. This project has focused on opening this rich archive of information by enabling the creation of routinely and widely applicable ways of measuring and interpreting isotopic structures of molecules. This work has included the development of core technologies and analytical methods, advancing fundamental understanding of the physical and chemical properties of isotopic versions of molecules, and conducting proof of concept studies of illustrative geochemical, cosmochemical and forensic problems in order to show how these technologies, methods and principles come together to solve problems in new ways. A key to the success of this project was the adaptation of ‘Fourier transform mass spectrometry’ (FTMS) to the task of precisely measuring proportions of the rare, naturally occurring isotopic forms of molecules. FTMS is a highly specialized form of mass spectrometry that traps ions within magnetic or electrostatic cavities and, effectively, ‘listens’ (through registering of subtle electrical signals) to the harmonic signals they make while rapidly orbiting within those cavities. These signals have periods that are a function of their mass and strength (or ‘loudness’) that is proportional to their abundances. Thus, these signals constrain relative amounts of molecules that differ in their mass due to various isotopic substitutions. This technology has been essential to the identification of organic molecules in the life, chemical and environmental sciences for over 4 decades, but generally has lacked the control, stability and precision to meaningfully measure rare isotope forms of molecules. This project’s most fundamental contribution has been to modify FTMS, both in terms of hardware and methods, to enable such measurements. The raw data of molecular isotopic structure is tremendously voluminous and complex, so another important activity of this project has been developing the theoretical and data-science tools needed to interpret the data generated by this new form of isotopic measurement. A particularly challenging part of this task has been predicting molecular isotopic structure, as only through the comparison of measurements with predictions can we make progress on hypothesis driven research questions. We have attacked this this prediction task through a combination of first-principles chemical-physics models of the effects of isotope substitution on molecule properties and data-science models that permit us to generalize that chemical physics to cases that have not yet been studied by detailed chemical physics theory. The proof of concept applications we have pursued over the course of this study include biological reactions of amino acids and other biomolecules, non-biological synthesis of organic molecules in extra-terrestrial settings such as meteorites, petroleum geoscience questions concerning the origin and evolution of natural gas, oil and kerogen compounds, and forensic questions such as the sourcing of chemical weapons. The successes of these applications have laid the groundwork for the next phase of this field’s development, which will include larger scale and more ambitious studies of molecular isotopic structure as a means of diagnosing human diseases, such as cancer, and reconstructing detailed interpretations of the origin and evolution of organic molecules in modern and geological environments.

Cesar, Jaime↗

DOE OSTI2014

Aerosol indirect effect on the grid-scale clouds in the two-way coupled WRF–CMAQ: model description, development, evaluation and regional analysis

This study implemented first, second and glaciation aerosol indirect effects (AIE) on resolved clouds in the two-way coupled Weather Research and Forecasting Community Multiscale Air Quality (WRF–CMAQ) modeling system by including parameterizations for both cloud drop and ice number concentrations on the basis of CMAQ-predicted aerosol distributions and WRF meteorological conditions. The performance of the newly developed WRF–CMAQ model, with alternate Community Atmospheric Model (CAM) and Rapid Radiative Transfer Model for GCMs (RRTMG) radiation schemes, was evaluated with observations from the Clouds and the See http://ceres.larc.nasa.gov/ . Earth's Radiant Energy System (CERES) satellite and surface monitoring networks (AQS, IMPROVE, CASTNET, STN, and PRISM) over the continental US (CONUS) (12 km resolution) and eastern Texas (4 km resolution) during August and September of 2006. The results at the Air Quality System (AQS) surface sites show that in August, the normalized mean bias (NMB) values for PM 2.5 over the eastern US (EUS) and the western US (WUS) are 5.3% (-0.1%) and 0.4% (-5.2%) for WRF–CMAQ/CAM (WRF–CMAQ/RRTMG), respectively. The evaluation of PM 2.5 chemical composition reveals that in August, WRF–CMAQ/CAM (WRF–CMAQ/RRTMG) consistently underestimated the observed SO 4 2- by -23.0% (-27.7%), -12.5% (-18.9%) and -7.9% (-14.8%) over the EUS at the Clean Air Status Trends Network (CASTNET), Interagency Monitoring of Protected Visual Environments (IMPROVE) and Speciated Trends Network (STN) sites, respectively. Both configurations (WRF–CMAQ/CAM, WRF–CMAQ/RRTMG) overestimated the observed mean organic carbon (OC), elemental carbon (EC) and and total carbon (TC) concentrations over the EUS in August at the IMPROVE sites. Both configurations generally underestimated the cloud field (shortwave cloud forcing, SWCF) over the CONUS in August due to the fact that the AIE on the subgrid convective clouds was not considered when the model simulations were run at the 12 km resolution. This is in agreement with the fact that both configurations captured SWCF and longwave cloud forcing (LWCF) very well for the 4 km simulation over eastern Texas, when all clouds were resolved by the finer resolution domain. The simulations of WRF–CMAQ/CAM and WRF–CMAQ/RRTMG show dramatic improvements for SWCF, LWCF, cloud optical depth (COD), cloud fractions and precipitation over the ocean relative to those of WRF default cases in August. The model performance in September is similar to that in August, except for a greater overestimation of PM 2.5 due to the overestimations of SO 4 2- , NH 4 + , NO 3 - , and TC over the EUS, less underestimation of clouds (SWCF) over the land areas due to the lower SWCF values, and fewer convective clouds in September. Finally, this work shows that inclusion of indirect aerosol effect treatments in WRF–CMAQ represents a significant advancement and milestone in air quality modeling and the development of integrated emissions control strategies for air quality management and climate change mitigation.

indirect aerosol forcing↗

DOE OSTI2024

Innovating the next generation of commercial smart building software

Nearly 30% of commercial building energy use is wasted due to equipment faults and HVAC controls problems. The result is increased emissions, compromised comfort and productivity, and less reliable coordination of building power needs with a clean grid. The energy impact alone represents $17 billion in potential savings. Today’s smart building software provides a robust solution to address these operational deficiencies. Energy management and information systems (EMIS) are saving up to 9% on average, with two-year paybacks. They are being incorporated into energy management processes, commissioning services, and utility programs. As effective as they are, two barriers prevent even deeper benefits; limited personnel to fix problems once they are identified, and the expense and time to manually implement changes in control systems. In partnership with the research community, the EMIS industry is developing new capabilities to overcome these barriers. Moving beyond siloed products for either fault detection and diagnostics, or optimal control, these new capabilities empower users to not only automatically identify faults, but also to push corrective action, and control improvements to their buildings. In this paper, several areas for enhancements are documented: ‘one-time’ correction of faults such as setpoints, schedules, and economizer lockouts; short-term active testing for automated proportional integral derivative (PID) loop tuning and functional testing; and continuous supervisory control for demand flexibility and year-round efficiency. Results are presented from a pair of partner implementations out of a dozen providers integrating these enhancements into their products, including field tests from across the country, and insights into operator acceptance and integration into operations and maintenance practices.

Casillas, Armando↗

DOE OSTI2011

Computational Needs for the Next Generation Electric Grid Proceedings

The April 2011 DOE workshop, 'Computational Needs for the Next Generation Electric Grid', was the culmination of a year-long process to bring together some of the Nation's leading researchers and experts to identify computational challenges associated with the operation and planning of the electric power system. The attached papers provide a journey into these experts' insights, highlighting a class of mathematical and computational problems relevant for potential power systems research. While each paper defines a specific problem area, there were several recurrent themes. First, the breadth and depth of power system data has expanded tremendously over the past decade. This provides the potential for new control approaches and operator tools that can enhance system efficiencies and improve reliability. However, the large volume of data poses its own challenges, and could benefit from application of advances in computer networking and architecture, as well as data base structures. Second, the computational complexity of the underlying system problems is growing. Transmitting electricity from clean, domestic energy resources in remote regions to urban consumers, for example, requires broader, regional planning over multi-decade time horizons. Yet, it may also mean operational focus on local solutions and shorter timescales, as reactive power and system dynamics (including fast switching and controls) play an increasingly critical role in achieving stability and ultimately reliability. The expected growth in reliance on variable renewable sources of electricity generation places an exclamation point on both of these observations, and highlights the need for new focus in areas such as stochastic optimization to accommodate the increased uncertainty that is occurring in both planning and operations. Application of research advances in algorithms (especially related to optimization techniques and uncertainty quantification) could accelerate power system software tool performance, i.e. speed to solution, and enhance applicability for new and existing real-time operation and control approaches, as well as large-scale planning analysis. Finally, models are becoming increasingly essential for improved decision-making across the electric system, from resource forecasting to adaptive real-time controls to online dynamics analysis. The importance of data is thus reinforced by their inescapable role in validating, high-fidelity models that lead to deeper system understanding. Traditional boundaries (reflecting geographic, institutional, and market differences) are becoming blurred, and thus, it is increasingly important to address these seams in model formulation and utilization to ensure accuracy in the results and achieve predictability necessary for reliable operations. Each paper also embodies the philosophy that our energy challenges require interdisciplinary solutions - drawing on the latest developments in fields such as mathematics, computation, economics, as well as power systems. In this vein, the workshop should be viewed not as the end product, but the beginning of what DOE seeks to establish as a vibrant, on-going dialogue among these various communities. Bridging communication gaps among these communities will yield opportunities for innovation and advancement. The papers and workshop discussion provide the opportunity to learn from experts on the current state-of-the-art on computational approaches for electric power systems, and where one may focus to accelerate progress. It has been extremely valuable to me as I better understand this space, and consider future programmatic activities. I am confident that you too will enjoy the discussion, and certainly learn from the many experts. I would like to thank the authors of the papers for sharing their perspectives, as well as the paper discussants, session recorders, and participants. The meeting would not have been as successful without your commitment and engagement. I also would like to thank Joe Eto and Bob Thomas for their vision and leadership in bringing together such a well-structured and productive forum.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2016

Assessment of a Smoothed Particle Hydrodynamics Method for Thin Film on Textured Surfaces

A large number of previous studies suggest that the behavior of the near-wall liquid micro-layer plays a key role in boiling heat transfer and boiling crisis; see examples. The thin liquid layer interacts with heater surface and 'external' two-phase flow. The net effects of these interactions define the micro-hydrodynamics that leads to dryout. As a result, a good understanding of the thin-layer hydrodynamics is significant for the accurate prediction of CHF. Recently, with the advent of nanotechnology including micro-scale manufacturing, it becomes possible to perform high heat-flux boiling experiments with controlled surface conditions. Although many reports show rich observations about the effects of surface characteristics on CHF, physical mechanisms remain not fully understood. In order to have better understanding of the above phenomena, several computational models are developed, ranging from the lubrication theory to CFD methods. The former models are limited to one-dimensional formulation and unable to deal with the dry-out phenomena. It turns out that CFD methods have a greater potential for the mechanistic study of boiling. Towards the study objective, a particle-based CFD method called Smoothed Particle Hydrodynamics (SPH) is adopted. SPH is a Lagrangian particle method for solving systems of partial differential equations. Originally SPH is proposed for fluid dynamics in the context of astrophysical problems. Because mass and density are introduced during the particle approximation, SPH is also applied in fluid dynamic problems, where mass and density are important parameters to determine, without mass loss (a limitation of interface capturing schemes in mesh-based methods). Besides, geometrically complex and/or dynamic boundaries and interfaces can be handled without undue difficulty in SPH. Currently, most SPH simulations focus on large-scale scenarios (meter scale), like flooding and solitary wave. Also some works have been done with SPH in pore-scale. As for micro- or nano-scale simulation, people usually apply Dissipative Particle Dynamics (DPD) and Molecular Dynamics (MD) for particle-based simulation. Almost no work has been done on micro-scale with SPH, so assessments are needed to investigate the capability of SPH in application of micro-hydrodynamics. The Phenomena Identification and Ranking Table (PIRT) is applied to align application's technical requirements with associated physics and materials, models, simulation code capabilities and verification, validation and uncertainty quantification activities. The figures of merit are determined as: (1) Timing of micro-layer rewetting dry surface; (2) Effects of surface features. The corresponding key phenomena are determined as: (1) Hydrodynamics; (2) Interface Dynamics; (3) Energy; (4) Surface Effect. This study deals with isothermal scenario and no energy term is considered. Based on the current needs, a new SPH package, Micro-SPH, is compiled based on SPHysics with surface tension and wettability built in. Test cases are performed with Micro-SPH to assess the capability of SPH to each phenomenon identified. NEUTRINO with incompressible SPH solver is employed to investigate micro-fluid dynamics on a surface with uniformly distributed cylindrical pillars for application purposes. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS2011

NASA Tech Briefs, January 2011

The topics include: 1) Distributed Aerodynamic Sensing and Processing Toolbox; 2) Collaborative Supervised Learning for Sensor Networks; 3) Hazard Detection Software for Lunar Landing; 4) Onboard Nonlinear Engine Sensor and Component Fault Diagnosis and Isolation Scheme; 5) Network-Capable Application Process and Wireless Intelligent Sensors for ISHM; 6) Interface Supports Multiple Broadcast Transceivers for Flight Applications; 7) FPGA Sequencer for Radar Altimeter Applications; 8) Miniature Sapphire Acoustic Resonator - MSAR; 9) Process-Hardened, Multi-Analyte Sensor for Characterizing Rocket Plume Constituents; 10) SAD5 Stereo Correlation Line-Striping in an FPGA; 11) Hybrid Composite Cryogenic Tank Structure; 12) Nanoscale Deformable Optics; 13) Reliability-Based Design Optimization of a Composite Airframe Component; 14) Zinc Oxide Nanowire Interphase for Enhanced Lightweight Polymer Fiber Composites; 15) Plasma Igniter for Reliable Ignition of Combustion in Rocket Engines; 16) Wire Test Grip Fixture; 17) A Sub-Hertz, Low-Frequency Vibration Isolation Platform; 18) Carbon Nanofibers Synthesized on Selective Substrates for Nonvolatile Memory and 3D Electronics; 19) Nanoparticle/Polymer Nanocomposite Bond Coat or Coating; 20) High-Resolution Wind Measurements for Offshore Wind Energy Development; 21) Spring Tire; 22) Marsviewer 2008; 23) Mission Services Evolution Center Message Bus; 24) Major Constituents Analysis for the Vehicle Cabin Atmosphere Monitor; 25) Astronaut Health Participant Summary Application; 26) Adaption of the AMDIS Method to Flight Status on the VCAM Instrument; 27) Natural Language Interface for Safety Certification of Safety-Critical Software; 28) Cryogenic Caging for Science Instrumentation; 29) Wide-Range Neutron Detector for Space Nuclear Applications; 30) In Situ Guided Wave Structural Health Monitoring System; 31) Multiplexed Energy Coupler for Rotating Equipment; 32) Attitude Estimation in Fractionated Spacecraft Cluster Systems; 33) Full Piezoelectric Multilayer-Stacked Hybrid Actuation/Transduction Systems; 34) Active Flow Effectors for Noise and Separation Control; 35) Method and System for Temporal Filtering in Video Compression Systems; 36) Apparatus for Measuring Total Emissivity of Small, Low-Emissivity Samples; 37) Multiple-Zone Diffractive Optic Element for Laser Ranging Applications; 38) Simplified Architecture for Precise Aiming of a Deep-Space Communication Laser Transceiver; 39) Two-Photon-Absorption Scheme for Optical Beam Tracking; 40) High-Sensitivity, Broad-Range Vacuum Gauge Using Nanotubes for Micromachined Cavities; 41) Wide-Field Optic for Autonomous Acquisition of Laser Link; 42) Extracting Zero-Gravity Surface Figure of a Mirror; 43) Modeling Electromagnetic Scattering From Complex Inhomogeneous Objects; 44) Visual Object Recognition and Tracking of Tools; 45) Method for Implementing Optical Phase Adjustment; 46) Visual SLAM Using Variance Grid Maps; 47) Rapid Calculation of Spacecraft Trajectories Using Efficient Taylor Series Integration; 48) Efficient Kriging Algorithms; 49) Predicting Spacecraft Trajectories by the WeavEncke Method; 50) An Augmentation of G-Guidance Algorithms; 51) Comparison of Aircraft Icing Growth Assessment Software; 52) Silicon-Germanium Voltage-Controlled Oscillator at 105 GHz; 53) Estimation of Coriolis Force and Torque Acting on Ares-1; 54) Null Lens Assembly for X-Ray Mirror Segments; and 55) High-Precision Pulse Generator.

Source record↗

DOE OSTI2021

Combustion Performance and Emissions Optimization through Integration of Miniaturized High Temperature Multi Process Monitoring System

The main objective of this research program is to design, manufacture, and demonstrate a miniaturized, multi-process, monitoring system (mMPMS) for boiler condition management and easy system deployment to obtain a higher spatial resolution. This system will facilitate a Condition-Based Maintenance (CBM) philosophy that actively monitors the health of assets to predict and prevent failures and maximize availability and generating capacity at a reduced cost. CBM systems can provide boiler data that the advanced process control (APC) system can utilize for plant performance optimization, which is increasingly relevant as coal power plants shift from predominantly base-load operation to predominantly transient operation involving large load swings. The mMPMS is based on an electrochemical sensor that provides a real-time indication of the risk of damage to key locations in the radiant or convective section of a coal-fired boiler such as metal loss rates, heat flux, metal surface temperature, and deposit thickness. These indications can be utilized to optimize boiler performance as well as improve boiler availability in conjunction with corresponding operating conditions. This monitoring system was developed and tested in the high-temperature regions of coal-fired utility boilers in this project but can be applied to many other industries and applications as well. The new sensor design, leveraging the existing electrochemical noise-based monitoring system, is small enough to be installed through the webbing of the waterwalls without the need for long shut-downs to bend tubes and to make it feasible to obtain high spatial resolution in the boiler. Data can be transferred to the plant distributed control system (DCS) and any other control system. The sensor body that houses the sensor assembly was designed to ensure good conductive contact with boiler tubes to ensure the sensor is held at an identical temperature to the tube surface temperature. The data acquisition and signal conditioning modules were redesigned into a small footprint with optimized cooling of the module. System software was developed specifically for the new signal conditioning module and is compatible with plant PLCs. After the preliminary testing at a pilot-scale facility, five mMPMS were installed at a full-scale pulverized coal-fired plant, Basin Electric Power Cooperative’s Leland Olds Unit 1. The systems were demonstrated over a 6-week period during typical operation. Sensor measurements of deposit thickness were validated during the demonstration and subsequently leveraged to determine sensor-based boiler cleaning strategies. These strategies have the benefit of reduced thermal stresses on boiler tubes from over-cleaning and improved boiler water management. At the end of the project, continued development of the sensor technology was carried out at PacifiCorp’s Hunter Station. REI leveraged the permanent installation of the mMPMS in Unit 3 made possible by DOE funding on a separate program. The work at Hunter Plant focused on application of machine learning and artificial intelligence-based models for integration of sensor signals into control and optimization of Hunter Unit 3 processes.

Advanced Sensors, Corrosion, Ash Deposition, Optim↗

DOE OSTI2022

Combustion Performance and Emissions Optimization Through Integration of a Miniaturized High-Temperature Multi Process Monitoring System

Advanced Sensors, Corrosion, Ash Deposition, Optim↗

DOE OSTI2024

Combustion Performance and Emissions Optimization Through Integration of a Miniaturized High-Temperature Multi Process Monitoring System

The main objective of this research program is to design, manufacture, and demonstrate a miniaturized, multi-process, monitoring system (mMPMS) for boiler condition management and easy system deployment to obtain a higher spatial resolution of wall conditions in utility boilers. This system will facilitate a Condition-Based Maintenance (CBM) philosophy that actively monitors the health of assets to predict and prevent failures and maximize availability and generating capacity at a reduced cost. CBM systems can provide boiler data that the advanced process control (APC) system can utilize for plant performance optimization, which is increasingly relevant as coal power plants shift from predominantly base-load operation to predominantly transient operation involving large load swings. The mMPMS is based on an electrochemical sensor that provides a real-time indication of the risk of damage to key locations in the radiant or convective section of a coal-fired boiler such as metal loss rates, heat flux, metal surface temperature, and deposit thickness. These indications can be utilized to optimize boiler performance as well as improve boiler availability in conjunction with corresponding operating conditions. This monitoring system was developed and tested in the high-temperature regions of a coal-fired utility boiler in this project but can be applied to many other industries and applications as well. The new sensor design, leveraging the existing electrochemical noise-based monitoring system, is small enough to be installed through the webbing of the waterwalls without the need for long shut-downs to bend tubes and to make it feasible to obtain high spatial resolution in the boiler. Data can be transferred to the plant distributed control system (DCS) and any other control system. The sensor body that houses the sensor assembly was designed to ensure good conductive contact with boiler tubes to ensure the sensor is held at an identical temperature to the tube surface temperature. The data acquisition and signal conditioning modules were redesigned into a small footprint with optimized cooling of the module. System software was developed specifically for the new signal conditioning module and is compatible with plant PLCs. After the preliminary testing at a pilot-scale facility, five mMPMS were installed at a full-scale pulverized coal-fired plant, Basin Electric Power Cooperative’s Leland Olds Unit 1. The systems were demonstrated over a 6-week period during typical operation. Sensor measurements of deposit thickness were validated during the demonstration and subsequently leveraged to determine sensor-based boiler cleaning strategies. These strategies have the benefit of reduced thermal stresses on boiler tubes from over-cleaning and improved boiler water management. At the end of the project, continued development of the sensor technology was carried out at PacifiCorp’s Hunter Station. REI leveraged the permanent installation of the mMPMS in Unit 3 made possible by DOE funding on a separate program. The work at Hunter Plant focused on application of machine learning and artificial intelligence-based models for integration of sensor signals into control and optimization of Hunter Unit 3 processes.

42 ENGINEERING↗

DOE OSTI2021

High-Temperature Multi-Process Sensor Development and Demonstration at a Full-scale PC Combustion System

The main objective of this research program is to design, manufacture, and demonstrate a miniaturized, multi-process, monitoring system (mMPMS) for boiler condition management and easy system deployment to obtain a higher spatial resolution of wall conditions in utility boilers. This system will facilitate a Condition-Based Maintenance (CBM) philosophy that actively monitors the health of assets to predict and prevent failures and maximize availability and generating capacity at a reduced cost. CBM systems can provide boiler data that the advanced process control (APC) system can utilize for plant performance optimization, which is increasingly relevant as coal power plants shift from predominantly base-load operation to predominantly transient operation involving large load swings. The mMPMS is based on an electrochemical sensor that provides a real-time indication of the risk of damage to key locations in the radiant or convective section of a coal-fired boiler such as metal loss rates, heat flux, metal surface temperature, and deposit thickness. These indications can be utilized to optimize boiler performance as well as improve boiler availability in conjunction with corresponding operating conditions. This monitoring system was developed and tested in the high-temperature regions of a coal-fired utility boiler in this project but can be applied to many other industries and applications as well. The new sensor design, leveraging the existing electrochemical noise-based monitoring system, is small enough to be installed through the webbing of the waterwalls without the need for long shut-downs to bend tubes and to make it feasible to obtain high spatial resolution in the boiler. Data can be transferred to the plant distributed control system (DCS) and any other control system. The sensor body that houses the sensor assembly was designed to ensure good conductive contact with boiler tubes to ensure the sensor is held at an identical temperature to the tube surface temperature. The data acquisition and signal conditioning modules were redesigned into a small footprint with optimized cooling of the module. System software was developed specifically for the new signal conditioning module and is compatible with plant PLCs. After the preliminary testing at a pilot-scale facility, five mMPMS were installed at a full-scale pulverized coal-fired plant, Basin Electric Power Cooperative’s Leland Olds Unit 1. The systems were demonstrated over a 6-week period during typical operation. Sensor measurements of deposit thickness were validated during the demonstration and subsequently leveraged to determine sensor-based boiler cleaning strategies. These strategies have the benefit of reduced thermal stresses on boiler tubes from over-cleaning and improved boiler water management. At the end of the project, continued development of the sensor technology was carried out at PacifiCorp’s Hunter Station. REI leveraged the permanent installation of the mMPMS in Unit 3 made possible by DOE funding on a separate program. The work at Hunter Plant focused on application of machine learning and artificial intelligence-based models for integration of sensor signals into control and optimization of Hunter Unit 3 processes.

Advanced Sensors, Corrosion, Ash Deposition, Optim↗

DOE OSTI2020

Combustion Performance and Emissions Optimization Through Integration of a Miniaturized High-Temperature Multi Process Monitoring System

The main objective of this research program is to design, manufacture, and demonstrate a miniaturized, multi-process, monitoring system (mMPMS) for boiler condition management and easy system deployment to obtain a higher spatial resolution. This system will facilitate a Condition-Based Maintenance (CBM) philosophy that actively monitors the health of assets to predict and prevent failures and maximize availability and generating capacity at a reduced cost. CBM systems can provide boiler data that the advanced process control (APC) system can utilize for plant performance optimization, which is increasingly relevant as coal power plants shift from predominantly base-load operation to predominantly transient operation involving large load swings. The mMPMS is based on an electrochemical sensor that provides a real-time indication of the risk of damage to key locations in the radiant or convective section of a coal-fired boiler such as metal loss rates, heat flux, metal surface temperature, and deposit thickness. These indications can be utilized to optimize boiler performance as well as improve boiler availability in conjunction with corresponding operating conditions. This monitoring system was developed and tested in the high-temperature regions of coal-fired utility boilers in this project but can be applied to many other industries and applications as well. This project leveraged the existing electrochemical noise-based monitoring system and the new sensor design is small enough to be installed through the webbing of the waterwalls without the need for long shut-downs to bend tubes and to make it feasible to obtain high spatial resolution in the boiler. Data is transferred to the plant distributed control system (DCS) and any other control system. The sensor body that houses the sensor assembly was designed to ensure good conductive contact with boiler tubes to ensure the sensor is held at an identical temperature to the tube surface temperature. The data acquisition and signal conditioning modules were redesigned into a small footprint with optimized cooling of the module. System software was developed specifically for the new signal conditioning module and is compatible with plant PLCs. After the preliminary testing at a pilot-scale facility, five mMPMS were installed at a full-scale pulverized coal-fired plant, Basin Electric Power Cooperative’s Leland Olds Unit 1. The systems were demonstrated over a 6-week period during typical operation. Sensor measurements of deposit thickness were validated during the demonstration and subsequently leveraged to determine sensor-based boiler cleaning strategies. These strategies have the benefit of reduced thermal stresses on boiler tubes from over-cleaning and improved boiler water management. At the end of the project, continued development of the sensor technology was carried out at PacifiCorp’s Hunter Station. REI leveraged the permanent installation of the mMPMS in Unit 3 made possible by DOE funding on a separate program. The work at Hunter Plant focused on application of machine learning and artificial intelligence-based models for integration of sensor signals into control and optimization of Hunter Unit 3 processes.

Advanced Sensors, Corrosion, Ash Deposition, Optim↗

NASA NTRS2011

Land and Atmosphere Near-Real-Time Capability for Earth Observing System

The past decade has seen a rapid increase in availability and usage of near-real-time data from satellite sensors. The EOSDIS (Earth Observing System Data and Information System) was not originally designed to provide data with sufficiently low latency to satisfy the requirements for near-real-time users. The EOS (Earth Observing System) instruments aboard the Terra, Aqua and Aura satellites make global measurements daily, which are processed into higher-level 'standard' products within 8-40 hours of observation and then made available to users, primarily earth science researchers. However, applications users, operational agencies, and even researchers desire EOS products in near-real-time to support research and applications, including numerical weather and climate prediction and forecasting, monitoring of natural hazards, ecological/invasive species, agriculture, air quality, disaster relief and homeland security. These users often need data much sooner than routine science processing allows, usually within 3 hours, and are willing to trade science product quality for timely access. While Direct Broadcast provides more timely access to data, it does not provide global coverage. In 2002, a joint initiative between NASA (National Aeronautics and Space Administration), NOAA (National Oceanic and Atmospheric Administration), and the DOD (Department of Defense) was undertaken to provide data from EOS instruments in near-real-time. The NRTPE (Near Real Time Processing Effort) provided products within 3 hours of observation on a best-effort basis. As the popularity of these near-real-time products and applications grew, multiple near-real-time systems began to spring up such as the Rapid Response System. In recognizing the dependence of customers on this data and the need for highly reliable and timely data access, NASA's Earth Science Division sponsored the Earth Science Data and Information System Project (ESDIS)-led development of a new near-real-time system called LANCE (Land, Atmosphere Near-Real-Time Capability for EOS) in 2009. LANCE consists of special processing elements, co-located with selected EOSDIS data centers and processing facilities. A primary goal of LANCE is to bring multiple near-real-time systems under one umbrella, offering commonality in data access, quality control, and latency. LANCE now processes and distributes data from the Moderate Resolution Imaging Spectroradiometer (MODIS), Atmospheric Infrared Sounder (AIRS), Advanced Microwave Scanning Radiometer Earth Observing System (AMSR-E), Microwave Limb Sounder (MLS) and Ozone Monitoring Instrument (OMI) instruments within 3 hours of satellite observation. The Rapid Response System and the Fire Information for Resource Management System (FIRMS) capabilities will be incorporated into LANCE in 2011. LANCE maintains a central website to facilitate easy access to data and user services. LANCE products are extensively tested and compared with science products before being made available to users. Each element also plans to implement redundant network, power and server infrastructure to ensure high availability of data and services. Through the user registration system, users are informed of any data outages and when new products or services will be available for access. Building on a significant investment by NASA in developing science algorithms and products, LANCE creates products that have a demonstrated utility for applications requiring near-real-time data. From lower level data products such as calibrated geolocated radiances to higher-level products such as sea ice extent, snow cover, and cloud cover, users have integrated LANCE data into forecast models and decision support systems. The table above shows the current near-real-time product categories by instrument. The ESDIS Project continues to improve the LANCE system and use the experience gained through practice to seek adjustments to improve the quality and performance of the system. For example, anGC-compliant Web Map Service (WMS) will be added shortly that will allow users to download geo-referenced MODIS images for arbitrary bounding boxes. Further, an OGC-compliant Web Coverage Service (WCS) will be added later this year that will expedite user access to arbitrary data subsets or re-formatted products. AIRS images are now served through WMS and available in multiple formats (PNG, GeoTIFF, KMZ). NASA has established a LANCE User Working Group to steer the development of the system and create a forum for sharing ideas and experiences that are expected to further improve the LANCE capabilities. The LANCE system has proved a success by satisfying the growing needs of the applications and operational communities for land and atmosphere data in near-real-time. NASA's Earth Sciences Division was able to leverage existing science research capabilities to provide the near-real-time community with products and imagery that support monitoring of disasters in a timely manner.

Murphy, Kevin J.↗

DOE OSTI2015

Illustration of VERA Capabilities to Model a Typical iPWR SMR

Small modular reactors (SMRs) are being considered by the commercial nuclear power industry as an option for more distributed generation and for replacement of older fossil fuel generating facilities. SMRs are more compact than operating pressurized water reactors (PWRs), producing about 200 MWe as compared to 1000 MWe or higher for their full-sized cousins, and are offered as “expandable” units; that is, their modular design allows the utility to add more units progressively at the same site. In Summer 2014, CASL reported on a progression of demonstrations illustrating VERA’s ability to simulate a typical SMR of the iPWR type, while developing a simple core cycle design for cycle economic studies. The work included development of fuel assembly lattices, 3D single assembly and full core (quarter symmetry) simulations of the proposed core cycle design using the CASL Virtual Environment for Reactor Applications (VERA). The report concluded that it would be difficult for the SMR to operate for the target 1400 EFPD cycle length and that the fuel cost would be on the order of 50% higher as compared with a PWR. Unfortunately, the Reference 4 core cycle design did not include control component management. The iPWR is intended to be operated using the control rods for reactivity control, as opposed to using soluble boron (like most currently operating PWRs), and the introduction of the control rods is expected to affect the length of the cycle. Therefore, this work continues the previous CASL demonstration of VERA capability to simulate a typical iPWR core, including the development of a control component management strategy using the Reference 4 core design and utilizing the soon-to-be released VERA3.3 tools. Note that this study is not intended as a validation study; rather it is merely an illustration of VERA’s capabilities to simulate a typical iPWR. Simulations included two variations on control rod banks – a two-bank scheme and a ten-bank scheme. Both schemes were modelled using the VERA Common Input, and more than six iterations on each control rod scheme were simulated to arrive at a combination of rod banks and insertion depths that provided a core reactivity near the target k eff of 1.000 ± 0.001 (more than 50 cases run) over two calendar months. In particular, VERA was used to determine the hot excess reactivity for the core design with all rods out (ARO), and then iterative simulations with the rod banks inserted to determine the critical control rod bank positions were completed. VERA options to simplify the process were exercised as possible, particularly restart functionality, coupled thermal-hydraulics using the internal T-H solver, xenon, and depletion capability. The fuel shuffling functionality was not exercised, since the iPWR SMR features a once-through cycle. The VERA method of characteristics (MOC) neutronics subcomponent was used to predict power and reactivity with control rod maneuvering, both with and without thermal-hydraulic feedback. The problem was scaled from 35 CPU cores to 3815, effectively demonstrating the solution time with respect to computing capacity. Computer clusters at Oak Ridge National Laboratory, Idaho National Laboratory and Tennessee Valley Authority were used. These studies provide an additional illustration of the application of VERA to a typical iPWR SMR. Reference 4 previously demonstrated that the codes could handle the differences in geometry for the iPWR, and this study expanded the illustration to include control rod management. Further, the work illustrates the need for in-depth simulations to support effective control rod maneuvering for an iPWR and highlights the need for control rod reactivity search capability within VERA. Additionally, the development of a control rod bank reactivity search capability will be extremely useful for not only this application, but also for BWRs as CASL develops BWR capability in Phase 2.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

High-Speed and High-Quality Field Welding Repair Based on Advanced Non-Destructive Evaluation and Numerical Modeling

Creep strength-enhanced ferritic (CSEF) steels such as Grade 91 (9Cr-1Mo-V) and Grade 92 (Fe-9Cr-2W-0.5Mo) steels are widely used in the fossil-fuel-fired and nuclear power plants. The weld integrity of these steels is crucial for power plants' safe and reliable operations. Due to harsh service conditions, the steel weld can become susceptible to environmental degradation. Field welding repair is used to restore the degraded weld’s performance where a controlled temper-bead welding technique is commonly used to temper the freshly formed martensite during welding. However, knowledge of weld repairability is limited and experimental trial and error optimization to achieve desired microstructure and joint properties is expensive and time-consuming. Many existing computational models, e.g., finite element models, are limited to solving heat conduction equation and ignoring convective heat transfer due to molten metal flow. These models can result in over-prediction of peak temperatures of weld pool and heat-affected zone (HAZ), which in turn can affect the accuracy of tempering prediction. Moreover, these finite element models require an input of the deposit profiles in advance and thus limits the usability of these models. Here, a molten pool-based, multi-pass multi-layer model has been developed based on computational fluid dynamics (CFD) approach with the Volume of Fluid (VOF) method. The model calculates the bead formation, thereby eliminating the need for pre-determined bead profiles required by finite element models. For computational efficiency, a coordinate system attached to the moving heat source is utilized. A subroutine is developed to convert the temperature profiles in the reference frame stationary to the heat source to that stationary to the workpiece. The converted thermal cycles are then imported into a microstructure model to compute the tempering kinetics and resultant hardness using a Johnson-Mehl-Avrami-Kolmogorov (JMAK), and modified Grange-Baughman parameter. The modeling approach is first developed and validated on single- and multi-pass deposition of stainless steel filler metal onto a SA-533 high strength steel substrate. The models are then applied to a multi-pass V-groove repair weld of Grade 91 steel plate as well as directed energy deposition of Grade 92 steel. Non-destructive characterization of microstructures was performed on Grade 91 and 92 steel welds. Two welding processes, cold metal transfer (CMT) and flux-cored arc welding (FCAW), were investigated for the Grade 91 steel weld samples. For the Grade 92 weld samples, three different heat inputs (low, medium, and high) of gas tungsten arc welding (GTAW) were utilized to replicate traditional field welding processes. The non-destructive evaluation (NDE) method used for this research was immersion ultrasonic testing (UT) using a micro-resolution ultrasonic imaging methodology specifically designed to operate in the through-transmission configuration operating at 20 MHz of frequency. The system used a focused ultrasonic beam spot size diameter between 250-300 μm, and a 6 μm laser vibrometer spot size for detection, to produce highly defined images with longitudinal and mode-converted shear waves. From the micro-resolution ultrasonic C-scan images, three microstructural regions, i.e., weld metal (WM), HAZ, and base metal (BM), were clearly identifiable. Various levels of ultrasonic amplitudes distributed over the three regions were correlated with electron beam backscattered diffraction (EBSD) images using grain size, grain boundaries, and dislocation densities. The results showed that areas with relatively higher ultrasonic amplitude levels were associated with smaller grains and higher dislocation densities, while areas with lower amplitude levels were associated with larger grains and lower dislocation densities. In addition, ultrasonic velocity data obtained across the three different weld microstructural regions of Grade 91 test samples were correlated with optical metallographic images and hardness measurements. The results showed distinctive decreases in ultrasonic velocity and hardness over the HAZ region, where weld failures often occur during service.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Combustion energy frontier research center (CEFRC) final report (August 1, 2009 – July 31, 2016)

The Combustion Energy Frontier Research Center (CEFRC) was established to tackle the single overarching grand challenge of energy sustainability, energy security and global warming: to develop a “validated, predictive, multi-scale, combustion modeling capability to optimize the design and operation of evolving fuels in advanced engines for transportation applications,” as identified in the DOE report on “Basic Energy Needs for Clean and Efficient Combustion of 21st Century Transportation Fuels”. The challenge is particularly daunting since energy conversion efficiencies and exhaust emissions are governed by coupled chemical and transport processes at multiple length scales ranging from electron excitation to molecular rearrangements to nanoscale particulate formation to turbulent fuel/air mixing. To tackle this challenge, the CEFRC assembled a world-class team of 15 principal investigators, with the objectives to: 1) develop and test theoretical models to predict elementary reaction rates, molecule thermalization rates, chemical bond dissociation energies, and nonequilibrium transport properties using quantum chemistry calculations that account for strong electron correlation and multiple electronic potential energy surfaces; 2) develop automated kinetic mechanism generation, reduction, and error control methods for predicting alternative fuel including biofuel oxidation, fuel droplet decomposition, and NOx and particulate formation; 3) validate and improve the predictions of these models by measuring ignition delay times, species profiles, flame structures, burning limits, turbulence-kinetic coupling, and NOx and soot emissions at high-pressures and near-limit conditions, by using advanced experimental diagnostic techniques including multiple laser techniques, molecular beam sampling and synchrotron photoionization, and by conducting the measurements in high-pressure shock tubes, jet-stirred and flow reactors, flame bombs, counterflow flames, and advanced-design rapid compression ignition instruments; and 4) develop a suite of validated petascale high-fidelity simulation and modeling capabilities to understand and predict chemistry-turbulence-radiation coupling for new fuels in new regimes, including the high pressure, low-temperature combustion in advanced engine and turbine designs, and 5) establish a knowledge highway between researchers and engineers in academia, national laboratories, and industry to facilitate the dissemination and exchange of knowledge on national and international levels, and enrich the talent pool and capabilities of the next generation of combustion scientists and engineers. The technical activities of the CEFRC were conducted through three Disciplinary Working Groups – Chemistry Theory, Experiment and Mechanism, and Reacting Flows, which coordinated the Center’s research on the development of combustion chemistry of Foundation Fuels (C0–C4 hydrocarbons), Alcohols, and Biodiesel through three corresponding Mechanism Thrust Groups. Such a two-dimensional coordinated and tightly interwoven research structure has been proven to be highly effective in assuring the interplay between the developments of the fundamentals of combustion science and the utilization of the various categories of fuels. The Center has accomplished the above goals over the five year period (August 1, 2009 – July 31, 2014) with appropriated funding, followed by two additional no-cost-extension (NCE) years. The research results are documented in 230 journal publications, with six legacy review papers on the study of combustion chemistry using shock tubes, flow reactors, rapid compression machines, and flames, on uncertainty quantification, and on theoretical reaction dynamics and chemical modeling of combustion. A robust outreach program complemented these PI-led research activities, consisting of: 1) a roving post-doc program comprised of a corps of Center-appointed, co- or multi-sponsored post-doctoral fellows with rotating assignments to conduct seed projects initiated by at least two PIs, in residence with these sponsoring PIs, to rapidly pursue new and high-risk, high-payoff interdisciplinary ideas; 2) an annual summer school on combustion heavily attended (~200) by senior graduate students and practicing researchers covering advanced topics on chemical kinetics, fluid mechanics, turbulent combustion, engine combustion, new technologies, etc.; 3) a robust open web-site providing Center and community information as well as the lecture videos and notes of the summer school; and 4) widely distributed biannual newsletters.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRS1994

A comparison between general circulation model simulations using two sea surface temperature datasets for January 1979

Simulations with the UCLA atmospheric general circulation model (AGCM) using two different global sea surface temperature (SST) datasets for January 1979 are compared. One of these datasets is based on Comprehensive Ocean-Atmosphere Data Set (COADS) (SSTs) at locations where there are ship reports, and climatology elsewhere; the other is derived from measurements by instruments onboard NOAA satellites. In the former dataset (COADS SST), data are concentrated along shipping routes in the Northern Hemisphere; in the latter dataset High Resolution Infrared Sounder (HIRS SST), data cover the global domain. Ensembles of five 30-day mean fields are obtained from integrations performed in the perpetual-January mode. The results are presented as anomalies, that is, departures of each ensemble mean from that produced in a control simulation with climatological SSTs. Large differences are found between the anomalies obtained using COADS and HIRS SSTs, even in the Northern Hemisphere where the datasets are most similar to each other. The internal variability of the circulation in the control simulation and the simulated atmospheric response to anomalous forcings appear to be linked in that the pattern of geopotential height anomalies obtained using COADS SSTs resembles the first empirical orthogonal function (EOF 1) in the control simulation. The corresponding pattern obtained using HIRS SSTs is substantially different and somewhat resembles EOF 2 in the sector from central North America to central Asia. To gain insight into the reasons for these results, three additional simulations are carried out with SST anomalies confined to regions where COADS SSTs are substantially warmer than HIRS SSTs. The regions correspond to warm pools in the northwest and northeast Pacific, and the northwest Atlantic. These warm pools tend to produce positive geopotential height anomalies in the northeastern part of the corresponding oceans. Both warm pools in the Pacific produce large-scale circulation anomalies with a pattern that resembles that obtained using COADS SSTs as well as EOF 1 of the control simulation; the warm pool in the Atlantic does not. These results suggest that the differences obtained with COADS SSTs and HIRS SSTs are mostly due to the differences in the datasets over the northern Pacific. There was a blocking episode near Greenland in late January 1979. Both simulations with warm SST anomalies over the northwest and northeast Pacific show a tendency toward increased incidence of North Atlantic blocking; the simulation with warm SST anomalies over the northwest Atlantic shows a tendency toward decreased incidence. These results suggest that features in both SST datasets that do not have a counterpart in the other dataset contribute signficantly to the differences between the simulated and observed fields. The results of this study imply that uncertainties in current SST distributions for the world oceans can be as important as the SST anomalies themselves in terms of their impact on the atmospheric circulation. Caution should be exercised, therefore, when linking anomalous circulation and SST patterns, especially in long-range prediction.

Ose, Tomoaki↗