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DOE Advanced Scientific Computing Advisory Subcommittee (ASCAC) Report: Top Ten Exascale Research Challenges

Exascale computing systems are essential for the scientific fields that will transform the 21st century global economy, including energy, biotechnology, nanotechnology, and materials science. Progress in these fields is predicated on the ability to perform advanced scientific and engineering simulations, and analyze the deluge of data. On July 29, 2013, ASCAC was charged by Patricia Dehmer, the Acting Director of the Office of Science, to assemble a subcommittee to provide advice on exascale computing. This subcommittee was directed to return a list of no more than ten technical approaches (hardware and software) that will enable the development of a system that achieves the Department's goals for exascale computing. Numerous reports over the past few years have documented the technical challenges and the non¬-viability of simply scaling existing computer designs to reach exascale. The technical challenges revolve around energy consumption, memory performance, resilience, extreme concurrency, and big data. Drawing from these reports and more recent experience, this ASCAC subcommittee has identified the top ten computing technology advancements that are critical to making a capable, economically viable, exascale system.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Materials informatics: From the atomic-level to the continuum

We report that in recent years materials informatics, which is the application of data science to problems in materials science and engineering, has emerged as a powerful tool for materials discovery and design. This relatively new field is already having a significant impact on the interpretation of data for a variety of materials systems, including those used in thermoelectrics, ferroelectrics, battery anodes and cathodes, hydrogen storage materials, polymer dielectrics, etc. Its practitioners employ the methods of multivariate statistics and machine learning in conjunction with standard computational tools (e.g., density-functional theory) to, for example, visualize and dimensionally reduce large data sets, identify patterns in hyperspectral data, parse microstructural images of polycrystals, characterize vortex structures in ferroelectrics, design batteries and, in general, establish correlations to extract important physics and infer structure-property-processing relationships. In this Overview, we critically examine the role of informatics in several important materials subfields, highlighting significant contributions to date and identifying known shortcomings. We specifically focus attention on the difference between the correlative approach of classical data science and the causative approach of physical sciences. From this perspective, we also outline some potential opportunities and challenges for informatics in the materials realm in this era of big data.

36 MATERIALS SCIENCE↗

Predicting departure from nucleate boiling with advanced data- and physics-driven approaches

The subcooled and low-quality saturated flow boiling critical heat flux (CHF) corresponding to the departure from nucleate boiling (DNB) is one of the major limiting factors in the design and operation of pressurized water reactors (PWRs). Due to lack of agreement on its physical mechanisms, development of an accurate DNB-type CHF model has been elusive. The various steady-state (SS) predictive tools that have been proposed can be grouped into two categories: (1) data-driven methods—namely best-fit empirical correlations and look-up tables that result in relatively good agreement with specific experimental datasets but often fail to extend beyond their ranges of validity, and (2) the physics-based mechanistic models that rely on reasonable yet limited understanding of the underlying physics and apply constitutive relations to close the conservation equations. On one hand, with recent advances in computational capabilities and optimization techniques, machine learning (ML)-based methods constitute an alternative and a more advanced, data-driven approach. With enough data, they can be particularly useful in engineering fields where the physical phenomena are complex and challenging to model. On the other hand, a state-of-the-art physics-driven approach would not only provide more accurate prediction of SS CHF, but it would also help better understand and model transient applications. The data-driven regression models use deep feed-forward neural networks (NNs) and random forests to cross-validate with 1,865 CHF test cases, covering a wide range of flow conditions and channel geometries. The best-estimate ML-based predictors compare favorably with the widely used look-up table for annulus and plate, and sensitivity analysis has confirmed their effectiveness. The key advantage of ML-based methods is their online extensibility of applicability domain. The proposed physics-driven approach combines key assumptions and parameters in the relatively well-accepted theories of liquid sublayer dryout and near-wall bubble crowding. A more realistic understanding of local mechanisms has been modeled. The new model has been optimized and validated against 1,439 tube data, and it shows considerably improved performance when compared to a recent mechanistic model, demonstrating unbiased close agreement with measurements over a wide range of operating conditions. Future work will extend the improved physics-driven model to non-tube geometry applications and will couple the model with ML via a hybrid approach. The mechanistic SS work will also serve to improve understanding and to model transient CHF scenarios.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

A Transformational Natural Gas Fueled Dynamic SOFC for Data Center in-Rack Power (Final Technical Report)

Data centers consume 250TWh or 1% of global electricity use in 2019. This electricity demand is expected to grow exponentially in the future. The current data center power supply relies on electric grids with diesel engines and batteries as backup; the latter is critically important because a sudden loss of power could erase crucial data, causing catastrophic economic loss. However, such a double protection architecture is costly, inefficient and polluting. In search for better in-rack power system, fuel-cell based generators have recently emerged as a promising alternative to diesel engines and batteries because of its potential to be more cost-effective, more efficient and less polluting. Among many types of fuel cells, solid oxide fuel cells stand out to be a front runner because of their ability to directly operate on natural gas that has an existing infrastructure. However, there are several critical challenges facing SOFC generators to meet the rigorous power requirements of data centers: high cost, poor reliability and more importantly, slow response to the datacenters’ dynamic load change. The unexpected overload conditions in data centers can cause fuel starvation; the latter can initiate microcracks in the anode structure, thus jeopardizing the lifetime of the SOFC generator. The current efforts to increase transient power capabilities of traditional SOFCs and therefore protect SOFC stacks from internal damage during transient loading, rely primarily upon mathematical algorithms. One of the challenges to these control methodologies is the physical limitations of the fuel delivery system such as slow response of mass flow controllers to fast power demand.

30 DIRECT ENERGY CONVERSION↗

Data dialogues: critical connections for designing and implementing future nanomaterial research

Individuals and organizations in the engineered nanomaterial (ENM) community have increasingly recognized two related but distinct concerns: 1) discordant data due to differences in experimental design (e.g., material characteristics, experimental model, exposure concentration) or reporting (e.g., dose metric, material characterization details), and 2) a lack of data to inform decisions about ENM environmental, health, and safety (EHS). As one way to help address these issues, this Commentary discusses the important role of “data dialogues” or structured discussions between ENM researchers in EHS fields (e.g., toxicology, exposure science, and industrial hygiene) and decision makers who use the data researchers collect. The importance of these structured discussions is examined here in the context of barriers, solutions, and incentives: barriers to developing research relevant for human and ecological risk assessments; potential solutions to overcome such barriers; and incentives to help implement these or other solutions. These barriers, solutions, and incentives were identified by a group of expert stakeholders and ENM community members at the December 2013 Society for Risk Analysis panel discussion on research needed to support decision making for multiwalled carbon nanotubes (MWCNTs). Key topics discussed by experts and ENM community members include: (1) the value of researchers collaborating with EHS decision makers (e.g., risk analysts, product developers, regulators) to design research that can inform ENM EHS-related decisions (e.g., occupational exposure limits, product safety determinations), (2) the importance of funding incentives for such collaborative research, (3) the need to improve mechanisms for data-sharing within and between sectors (e.g., academia, government, and industry), and (4) the critical need to educate the “next generation” of nanotechnology researchers in EHS topics (e.g., risk assessment, risk management). In presenting these outcomes, this Commentary is not intended to conclude the conversation that took place in December 2013 but rather to support a broader dialogue that helps ensure important risk assessment questions are answered for ENMs.

communication↗

DiaMonD: An Integrated Multifaceted Approach to Mathematics at the Interfaces of Data, Models, and Decisions

For many problems in computational science and engineering, the so-called forward problem—solution of the underlying mathematical model to yield output quantities of interest, given input parameters—is difficult enough for frontier complex models, which are often characterized by coupled multiphysics and possibly stochastic behavior over a wide range of length and time scales. However, we face the need to move beyond the forward problem, to address what is often the ultimate goal of CS&E: decision making. This requires us to tackle a spectrum of mathematical problems that subsume, and are thus even more difficult than, the forward problem. First, given experimental data, we wish to estimate unknown parameters characterizing a model of a natural or engineered system by solving an inverse problem. Second, we seek the optimal configuration of the system (or experiments) by solving an optimal design problem. Third, the optimal operation of the system must be determined by solving an optimal control problem. And fourth, we must quantify uncertainties as they propagate through all of the preceding problems, from data to model inference to prediction and finally to optimal design and control. Optimal mathematical methods and algorithms for such end-to-end, data-to-decisions modeling and simulation of complex problems—requiring integrated solution of forward, inverse, optimization, and UQ problems for large, multiphysics, multiscale models—entails challenges of the highest order, while also presenting great opportunities for applied mathematics research. Unfortunately, research on forward, inverse, optimization, and UQ problems has all-too-often progressed in isolation. This has led to mathematical methods that perform well when considering the forward simulation in isolation, but are prohibitive or suboptimal or unstable when combined with other methods within the framework of inversion, optimization, or UQ. The reverse is also true: general-purpose methods developed within the inversion, optimization, and UQ fields often become prohibitive when applied to complex CS&E problems since they do not exploit their structure.

58 GEOSCIENCES↗

Machine learning analysis of RB-TnSeq fitness data predicts functional gene modules in Pseudomonas putida KT2440

ABSTRACT There is growing interest in engineering Pseudomonas putida KT2440 as a microbial chassis for the conversion of renewable and waste-based feedstocks, and metabolic engineering of P. putida relies on the understanding of the functional relationships between genes. In this work, independent component analysis (ICA) was applied to a compendium of existing fitness data from randomly barcoded transposon insertion sequencing (RB-TnSeq) of P. putida KT2440 grown in 179 unique experimental conditions. ICA identified 84 independent groups of genes, which we call fModules (“functional modules”), where gene members displayed shared functional influence in a specific cellular process. This machine learning-based approach both successfully recapitulated previously characterized functional relationships and established hitherto unknown associations between genes. Selected gene members from fModules for hydroxycinnamate metabolism and stress resistance, acetyl coenzyme A assimilation, and nitrogen metabolism were validated with engineered mutants of P. putida . Additionally, functional gene clusters from ICA of RB-TnSeq data sets were compared with regulatory gene clusters from prior ICA of RNAseq data sets to draw connections between gene regulation and function. Because ICA profiles the functional role of several distinct gene networks simultaneously, it can reduce the time required to annotate gene function relative to manual curation of RB-TnSeq data sets. IMPORTANCE This study demonstrates a rapid, automated approach for elucidating functional modules within complex genetic networks. While Pseudomonas putida randomly barcoded transposon insertion sequencing data were used as a proof of concept, this approach is applicable to any organism with existing functional genomics data sets and may serve as a useful tool for many valuable applications, such as guiding metabolic engineering efforts in other microbes or understanding functional relationships between virulence-associated genes in pathogenic microbes. Furthermore, this work demonstrates that comparison of data obtained from independent component analysis of transcriptomics and gene fitness datasets can elucidate regulatory-functional relationships between genes, which may have utility in a variety of applications, such as metabolic modeling, strain engineering, or identification of antimicrobial drug targets.

09 BIOMASS FUELS↗

DiaMonD: An Integrated Multifaceted Approach to Mathematics at the Interfaces of Data, Models, and Decisions

For many problems in computational science and engineering, the so-called forward problem-solution of the underlying mathematical model to yield output quantities of interest, given input parameters--is difficult enough for frontier complex models, which are often characterized by coupled multiphysics and possibly stochastic behavior over a wide range of length and time scales. However, we face the need to move beyond the forward problem, to address what is often the ultimate goal of CS&E: decision-making. This requires us to tackle a spectrum of mathematical problems that subsume, and are thus even more difficult than, the forward problem. First, given experimental data, we wish to estimate unknown parameters characterizing a model of a natural or engineered system by solving an inverse problem. Second, we seek the optimal con figuration of the system (or experiments) by solving an optimal design problem. Third, the optimal operation of the system must be determined by solving an optimal control problem. And fourth, we must quantify uncertainties as they propagate through all of the preceding problems, from data to model inference to prediction and finally to optimal design and control. Optimal mathematical methods and algorithms for such end-to-end, data-to-decisions modeling and simulation of complex problems--requiring integrated solution of forward, inverse, optimization, and UQ problems for large, multiphysics, multiscale models--entails challenges of the highest order, while also presenting great opportunities for applied mathematics research. Unfortunately, research on forward, inverse, optimization, and UQ problems has all-too-often progressed in isolation. This has led to mathematical methods that perform well when considering the forward simulation in isolation, but are prohibitive or suboptimal or unstable when combined with other methods within the framework of inversion, optimization, or UQ. The reverse is also true: general-purpose methods developed within the inversion, optimization, and UQ fields often become prohibitive when applied to complex CS&E problems since they do not exploit their structure. DiaMonD is a multi-institutional DOE MMICC effort that aims to address the challenges of end-to-end, data-to-decisions modeling and simulation for complex CS&E problems in a unifi ed, systematic, and integrated fashion. Institutions involved are Colorado State, Florida State, Los Alamos, MIT, Oak Ridge, Stanford, and UT-Austin. The goals of DiaMonD are (1) to develop advanced mathematical methods and analysis for multimodel, multiphysics, multiscale model problems driven by frontier DOE applications, including those in subsurface energy and environmental flows, materials for energy storage and conversion, and ice sheet dynamics; (2) to create theory and algorithms for integrated inversion, optimization, and uncertainty quantification for these complex problems; and (3) to disseminate the philosophy of an integrated end-to-end, data-to-decisions approach to modeling and simulation of complex problems to the broader applied math and computational science communities through workshops and other outreach.

97 MATHEMATICS AND COMPUTING↗

EVALUATION OF CONTROLLED END GAS AUTO IGNITION WITH EXHAUST GAS RECIRCULATION IN A STOICHIOMETRIC, SPARK IGNITED, NATURAL GAS ENGINE

Many stationary and heavy-duty on-road natural gas fueled engines today operate under stoichiometric conditions with a three-way catalyst. The disadvantage of stoichiometric natural gas engines compared to lean-burn natural gas and diesel engines is lower efficiency, resulting primarily from lower power density and compression ratio. Exhaust gas recirculation (EGR) coupled with advanced combustion controls can enable operation with higher compression ratio and power density, which yields higher efficiency. This also results in engine operation between the limits of knock and misfire. Operation between these limits has been named controlled end gas auto-ignition (C-EGAI) and can be used to improve the brake efficiency of the engine. Various methods of cylinder pressure-based knock quantification were explored to implement C-EGAI. The indicated quantification methods are used for the implementation of a control scheme for C-EGAI with a relation to the fractional heat release due to auto-ignition. A custom EGR system was built and the effect of EGR on the performance of a stochiometric, spark ignited, natural gas engine is evaluated. C-EGAI is implemented and the optimal parameters are determined for peak performance under EGR and C-EGAI conditions. In this study, knock detection is used for the recognition, magnitude, and location of the auto-ignition events. Cylinder pressure-based knock detection was the primary method for determining the occurrence and location of knock but was also used for implementing the ignition control scheme for controlled end gas auto-ignition. The combustion intensity metric (CIM) enabled parametric ignition timing control which allowed for the creation of a relationship between fractional heat release due to auto-ignition and CIM. Many stationary and heavy-duty on-road natural gas fueled engines today operate under stoichiometric conditions with a three-way catalyst. The disadvantage of stoichiometric natural gas engines compared to lean-burn natural gas and diesel engines is lower efficiency, resulting primarily from lower power density and compression ratio. Exhaust gas recirculation (EGR) coupled with advanced combustion controls can enable operation with higher compression ratio and power density, which yields higher efficiency. This also results in engine operation between the limits of knock and misfire. Operation between these limits has been named controlled end gas auto-ignition (C-EGAI) and can be used to improve the brake efficiency of the engine. Various methods of cylinder pressure-based knock quantification were explored to implement C-EGAI. The indicated quantification methods are used for the implementation of a control scheme for C-EGAI with a relation to the fractional heat release due to auto-ignition. A custom EGR system was built and the effect of EGR on the performance of a stochiometric, spark ignited, natural gas engine is evaluated. C-EGAI is implemented and the optimal parameters are determined for peak performance under EGR and C-EGAI conditions. In this study, knock detection is used for the recognition, magnitude, and location of the auto-ignition events. Cylinder pressure-based knock detection was the primary method for determining the occurrence and location of knock but was also used for implementing the ignition control scheme for controlled end gas auto-ignition. The combustion intensity metric (CIM) enabled parametric ignition timing control which allowed for the creation of a relationship between fractional heat release due to auto-ignition and CIM. Both exhaust gas recirculation and controlled end gas auto-ignition were analyzed with a cooperative fuel research (CFR) engine modified for boosted fuel/air intake. The data was interpreted to provide a proper evaluation of unique analytical methods to quantify the results of C_EGAI and characterize the live auto-ignition events. The control variables for this method of C-EGAI were optimized with EGR conditions to generate the point of peak performance on the CFR engine under stoichiometric, spark ignited, natural gas conditions.

Bayliff, Scott Michael↗

Integration of a Self-Coherence Algorithm into DISAT for Forced Oscillation Detection

With the increasing number of phasor measurement units on the power system, behaviors typically not observable on the power system are becoming more apparent. Oscillatory behavior on the power system, notably forced oscillations, are one such behavior. However, the large amounts of data coming from the PMUs makes manually detecting and locating these oscillations difficult. To automate portions of the process, an oscillation detection routine was coded into the Data Integrity and Situational Awareness Tool (DISAT) framework. Integration into the DISAT framework allows forced oscillations to be detected and information about the event provided to operational engineers. The oscillation detection algorithm integrates with the data handling and atypical data detecting capabilities of DISAT, building off of a standard library of functions. This report details that integration with information on the algorithm, some implementation issues, and some sample results from the western United States’ power grid.

Forced oscillations↗

Evaluating Image Classification Deep Convolutional Neural Network Architectures for Remaining Useful Life Estimation of Turbofan Engines

Accurate estimation of the remaining useful life (RUL) is a key component of condition-based maintenance (CBM) and prognosis and health management (PHM). Data-based models for the estimation of RUL are of particular interest because expert knowledge of systems is not always available, and physical modeling is often not feasible. Additionally, using data-based models, which make decisions based on raw sensor data, allow features to be learned instead of manually determined. In this work, deep convolutional neural network (CNN) architectures are investigated for their ability to estimate the RUL of turbofan engines. To improve the accuracy of the models, CNN architectures, which have proven successful in image classification, are implemented and tested. Specifically, the blocks used in the Visual Geometry Group (VGG) architecture, inception modules used in the GoogLeNet architecture, and residual blocks used in the ResNet architecture are incorporated. To account for varying flight lengths, the input to the models is a window of time series data collected from the engine under test. Window locations at the climb, cruise, and descent stages are considered. To further improve the RUL estimations, multiple overlapping windows at each location are used. This increases the amount of training data available and is found to increase the accuracy of the resulting RUL estimations by averaging the estimates from all overlapping segments. The model is trained and tested using the new Commercial Modular Aero-Propulsion System Simulation (N-CMAPSS) data set, and high prognosis accuracy was achieved. Furthermore, this work expands on the model developed and used in the 2021 PHM Society Data Challenge, which received second place.

convolutional neural networks↗

Optimizing Alabama’s CO 2 Storage in Shelby County (Project OASIS) Milestone 6.0: Evaluation of Class VI Readiness

Introduction. Project OASIS is approximately 30 miles southeast of Birmingham, Alabama, and approximately 5 miles north-northwest of Alabama Power Company's Plant Gaston. Geologically, the Project area is in the Alabama fold and thrust belt province. This work builds on the initiatives of the Southeast Regional Carbon Utilization and Storage Acceleration Partnership (SECARB-USA, DE-FE0031830) that identified nearly 500 million metric tonnes of CO 2 emitted on an annual basis that is not collocated with prospective storage geology (the Coastal Plain of the Southeastern US in this context). This observation suggests costly investments in connective infrastructure (e.g., pipelines) or exploratory well drilling campaigns to identify CO 2 storage opportunities in under explored areas. While not traditionally thought of for saline storage, these studies suggest that storage prospects in the Valley and Ridge Province occur in relatively flat lying structural panels between thrust faults. For the Project OASIS region, available geologic studies related to hydrocarbon exploration suggest that Cambro-Ordovician carbonates and Cambrian clastic units offer multiple potential storage intervals, and that regional confining systems are present, such as the tectonically thickened Floyd-Parkwood Shale. The Project OASIS surface property is owned by a timber and land stewardship company, The Westervelt Company, Inc., who worked with the Project Team to select and prepare adequate sites for geologic assessment. The purpose of drilling the Westover Stratigraphic Test Well #2 was to collect geologic data to model the feasibility of commercial scale CO 2 injection and storage in an under explored region. This initiative benefits the regions emitters as the data generated from this study can inform their own internal decision making. The field program included geological and geophysical evaluations, reservoir engineering analyses, and risk assessments. This report evaluates existing data, as well as a variety of modeling scenarios to evaluate project readiness. Importantly, the impact of this study is not limited to Alabama as there are numerous large emitters throughout Appalachia, in similar geologic settings, contemplating their decarbonization options.

20 FOSSIL-FUELED POWER PLANTS↗

Group-velocity-dispersion engineering of tantala integrated photonics

Designing integrated photonics, especially to leverage Kerr-nonlinear optics, requires accurate and precise knowledge of the refractive index across the visible to infrared spectral ranges. Tantala ( T a 2 O 5 ) is an emerging material platform for integrated photonics and nanophotonics that offers broadband ultralow loss, moderately high nonlinearity, and advantages for scalable and heterogeneous integration. We present refractive index measurements on a thin film of tantala, and we explore the efficacy of this data for group-velocity-dispersion (GVD) engineering with waveguide and ring-resonator devices. In particular, the observed spectral extent of supercontinuum generation in fabricated waveguides and the wavelength dependence of free spectral range (FSR) in optical resonators provide a sensitive test of our integrated photonics design process. Our work opens up new design possibilities with tantala, including with octave-spanning soliton microcombs.

Black, Jennifer A.↗

Brady's Geothermal Field - Analysis of Pressure Data

*This submission provides corrections to GDR Submissions 844 and 845* Poroelastic Tomography (PoroTomo) by Adjoint Inverse Modeling of Data from Hydrology. The 3 *csv files containing pressure data are the corrected versions of the pressure dataset found in Submission 844. The dataset has been corrected in the sense that the atmospheric pressure has been subtracted from the total pressure measured in the well. Also, the transducers used at wells 56A-1 and SP-2 are sensitive to surface temperature fluctuations. These temperature effects have been removed from the corrected datasets. The 4th *csv file contains corrected version of the pumping data found in Submission 845. The data has been corrected in the sense that the data from several wells that were used during the PoroTomo deployment pumping tests that were not included in the original dataset has been added. In addition, several other minor changes have been made to the pumping records due to flow rate instrument calibration issues that were discovered.

15 GEOTHERMAL ENERGY↗

From Machine Learning to Machine Reasoning: A Model-based Approach to Analyze Equipment Reliability Data

In current nuclear power plants (NPPs) a large amount of condition-based data which can be used to assess and monitor component health and performance. Assessing component health from such data can be performed with a large variety of methods. While the analysis of numeric data can be performed with several methods, the extraction of information from textual data remains a challenge. Currently employed natural language processing (NLP) methods do not really provide quantitative information that might be contained in IRs. In addition, the integration of numeric and textual data to identify possible causal relationships between data elements is still an unresolved challenge. This paper presents an approach to extract information from textual (e.g., incident or maintenance reports) and numeric data that relies on model based system engineer (MBSE) models. MBSE are diagrams designed to represent system and component dependencies (from both a form and functional point of view). In our approach, MBSE models emulate system engineer knowledge about component/system architecture. NLP methods are employed to perform syntactic and semantic analyses. Syntactic analysis analyzes the grammatical structure of a sentence while semantic analysis is designed to analyze the logic structure of a sentence. An innovative element of our approach is that semantic analysis uses MBSE models to identify links between textual elements. Similarly, numeric data is directly linked to elements of the MBSE models in order to map which functions are being monitored.

97 - MATHEMATICS AND COMPUTING↗

SE Requirements Development Tool User Guide

The LANL Systems Engineering Requirements Development Tool (SERDT) is a data collection tool created in InfoPath for use with the Los Alamos National Laboratory’s (LANL) SharePoint sites. Projects can fail if a clear definition of the final product requirements is not performed. For projects to be successful requirements must be defined early in the project and those requirements must be tracked during execution of the project to ensure the goals of the project are met. Therefore, the focus of this tool is requirements definition. The content of this form is based on International Council on Systems Engineering (INCOSE) and Department of Defense (DoD) process standards and allows for single or collaborative input. The “Scoping” section is where project information is entered by the project team prior to requirements development, and includes definitions and examples to assist the user in completing the forms. The data entered will be used to define the requirements and once the form is filled out, a “Requirements List” is automatically generated and a Word document is created and saved to a SharePoint document library. SharePoint also includes the ability to download the requirements data defined in the InfoPath from into an Excel spreadsheet. This User Guide will assist you in navigating through the data entry process.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Correlation of nanoparticle size distribution features to spatiotemporal flame luminosity in gasoline direct injection engines

Particle size distribution measured by mobility instruments is a common diagnostic used to characterize ultrafine and nanoparticle emissions in engine exhaust; however, some features of particle size distribution data are poorly correlated to in-cylinder combustion phenomena. In this work, in-cylinder spatiotemporal flame luminosity is quantitatively correlated to features in the solid particle size distribution measured in the exhaust of a gasoline direct injection engine operating in lean and stoichiometric combustion modes. A multi-channel optical sensor was used to measure diffusion flame light intensity in different areas of the combustion chamber. Furthermore, total solid particle number and particle size distribution in the exhaust were measured using a scanning mobility particle sizer after a catalytic stripper that removed semi-volatile compounds. Results of the experiments showed that different flame phenomenon resulted in distinct particle size distribution characteristics. A large accumulation mode (particles with diameter of 50–100 nm) in the particle size distribution from stoichiometric engine operation with early injection resulted from anomalous diffusion flames like piston-top pool fires. In lean operation incorporating a secondary fuel injection, particle emissions were dominated by flame propagation through fuel-rich regions of the combustion chamber resulting in a comparatively broad particle size distribution. More generally, this work illustrates how particle size distribution data can be more accurately used to diagnose soot formation in gasoline direct injection engines.

33 ADVANCED PROPULSION SYSTEMS↗

SU-E-T-474: IMRT Verification Using the On-Board EPID

Purpose: To verify IMRT and Rapid Arc (RA) plan's agreement with treatment delivery for radiation therapy using an on-board EPID compared to MapCHECK2 and ArcCHECK. Methods: On-board EPID (Exact arm) is commissioned using manufacturer's Preconfigured Data Input Package (PDIP). Portal dose calculation engine for comparison with measurement was commissioned with PDIP. The absolute dosimetric calibration of the EPID is performed using 10×10cm field size at 105cm source to image detector distance with 90.7 CU in the integrated mode. The dark and flood field of EPID were also calibrated in the integrated mode for all energies and dose rates. The output dose-response data from the manufacturer was verified. The improved gamma test method was used for EPID data analysis. Gamma test were used for MapCHECK2 (or ArcCHECK). The sensitivity of the method was tested using collimator rotation at 3 degree and 5 degree. Student T-test was used to distinguish the difference among the groups. Results: IMRT: The average of Gamma passing rate using EPID and MapCHECK2 is 98.9±1.6% and 98.7±2.0% (p = 0.342). There is no statistical difference between two groups.RA: The average of Gamma passing rate using EPID and ArcCHECK is 97.2±2.3% and 93.2±4.1%. (p = 0.002). EPID significantly improved the RapidARC plan passing rate compared to the ArcCHECK. 5% dose change typically causes between 3 – 55% change in Gamma. Conclusion: Using the EPID, we were able to perform QA verification on IMRT plans comparable to MapCHECK2 (p=0.342) and superior to that of ArcCHECK (p=0.002) using Gamma 3%, 3mm criteria. The sensitivity of EPID was found to be comparable to that of the MapCHECK2 and ArcCHECK. EPID dosimetry is faster (4.3 mins vs. 10 mins) due to easier setup and integrated data processing.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗