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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

Evaluation of Computer-Based Procedure System Prototype

This research effort is a part of the Light-Water Reactor Sustainability (LWRS) Program, which is a research and development (R&D) program sponsored by Department of Energy (DOE), performed in close collaboration with industry R&D programs, to provide the technical foundations for licensing and managing the long-term, safe, and economical operation of current nuclear power plants. The LWRS program serves to help the U.S. nuclear industry adopt new technologies and engineering solutions that facilitate the continued safe operation of the plants and extension of the current operating licenses. The introduction of advanced technology in existing nuclear power plants may help to manage the effects of aging systems, structures, and components. In addition, the incorporation of advanced technology in the existing LWR fleet may entice the future workforce, who will be familiar with advanced technology, to work for these utilities rather than more newly built nuclear power plants. Advantages are being sought by developing and deploying technologies that will increase safety and efficiency. One significant opportunity for existing plants to increase efficiency is to phase out the paper-based procedures (PBPs) currently used at most nuclear power plants and replace them, where feasible, with computer-based procedures (CBPs). PBPs have ensured safe operation of plants for decades, but limitations in paper-based systems do not allow them to reach the full potential for procedures to prevent human errors. The environment in a nuclear power plant is constantly changing depending on current plant status and operating mode. PBPs, which are static by nature, are being applied to a constantly changing context. This constraint often results in PBPs that are written in a manner that is intended to cover many potential operating scenarios. Hence, the procedure layout forces the operator to search through a large amount of irrelevant information to locate the pieces of information relevant for the task and situation at hand, which has potential consequences of taking up valuable time when operators must be responding to the situation, and potentially leading operators down an incorrect response path. Other challenges related to PBPs are the management of multiple procedures, place-keeping, finding the correct procedure for the task at hand, and relying on other sources of additional information to ensure a functional and accurate understanding of the current plant status (Converse, 1995; Fink, Killian, Hanes, & Naser, 2009; Le Blanc & Oxstrand, 2012). The main focus of this report is to describe the research activities conducted to address the remaining two objectives; Develop a prototype CBP system based on requirements identified and Evaluate the CBP prototype. The emphasis will be on the evaluation of an initial CBP prototype in at a Nuclear Power Plant.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2012

Benchmark Imagery for Assessing Geospatial Semantic Content Extraction Algorithms -- Annual Report for FY2012

The primary objective of this project is to create a set of benchmark imagery for validating algorithms designed to extract semantic content from geospatial images of industrial facilities. The goal is not to develop algorithms but to provide images that can be used to do so. The secondary objective is to demonstrate how this imagery could be used for algorithm validation. The project is a collaborative effort between Los Alamos National Laboratory (LANL) and the Lawrence Livermore National Laboratory (LLNL).

42 ENGINEERING↗
DOE OSTI2013

Novel biofuel formulations for enhanced vehicle performance

This interdisciplinary research program at Michigan State University, in collaboration with Ford Motor Company, has explored the application of tailored or designed biofuels for enhanced vehicle performance and reduced emissions. The project has included a broad range of experimental research, from chemical and biological formation of advanced biofuel components to multicylinder engine testing of blended biofuels to determine engine performance parameters. In addition, the project included computation modeling of biofuel physical and combustion properties, and simulation of advanced combustion modes in model engines and in single cylinder engines. Formation of advanced biofuel components included the fermentation of five-carbon and six-carbon sugars to n-butanol and to butyric acid, two four-carbon building blocks. Chemical transformations include the esterification of the butyric acid produced to make butyrate esters, and the esterification of succinic acid with n-butanol to make dibutyl succinate (DBS) as attractive biofuel components. The conversion of standard biodiesel, made from canola or soy oil, from the methyl ester to the butyl ester (which has better fuel properties), and the ozonolysis of biodiesel and the raw oil to produce nonanoate fuel components were also examined in detail. Physical and combustion properties of these advanced biofuel components were determined during the project. Physical properties such as vapor pressure, heat of evaporation, density, and surface tension, and low temperature properties of cloud point and cold filter plugging point were examined for pure components and for blends of components with biodiesel and standard petroleum diesel. Combustion properties, particularly emission delay that is the key parameter in compression ignition engines, was measured in the MSU Rapid Compression Machine (RCM), an apparatus that was designed and constructed during the project simulating the compression stroke of an internal combustion engine under highly instrumented conditions. Simulation of and experimentation on combustion in single and multicylinder engines was carried out in detail throughout the project. The combustion behavior of biofuel blends neat and in petroleum were characterized in the MSU optical engine, in part to validate results obtained in the RCM and to provide data for comparison with simulations. Simulation of in- cylinder, low-temperature combustion included development of an extensive fuel injection model that included fuel spray breakup, evaporation, and ignition, along with prediction of cylinder temperature, pressure, and work produced. Single cylinder and multicylinder engine tests under advanced low-temperature combustion conditions conducted at Ford Motor Company validated experimental and simulation results obtained in the MSU engine and in MSU simulations. Single cylinder engine tests of an advanced biofuel containing biodiesel and dibutyl succinate, carried out under low-temperature combustion conditions, showed similar power generation and gas-phase emissions (CO, HC, NOx), but a reduction in particulates of as much as 60% relative to neat biodiesel and 95% relative to petroleum diesel at the same operating conditions. This remarkable finding suggests that biofuels may be able to play a role in eliminating the need for particulate removal systems in diesel vehicles. The multicylinder engine tests at Ford, carried out using butyl nonanoate as an advanced biofuel, also gave promising results, showing a strong decline in particulate emissions and simultaneously a modest decrease in NOx emissions relative to standard petroleum diesel at the same conditions. In summary, this project has shown that advanced biofuels and their blends are capable of maintaining performance while reducing emissions, particularly particulates (soot), in 3 compression ignition engines. The interdisciplinary nature of biofuel production and testing has identified fuel properties that are capable of producing such performance, thus providing direction for the implementation of renewable fuels for U.S. transportation. The testing and simulation studies have deepened our understanding of combustion 1) by advancing the rigor with which simulations can be carried out and 2) by illustrating that differences in biofuel and petroleum fuel properties can be used to predict differences in combustion behavior in engines. The future viability of biofuels for compression ignition (diesel) engines is now subject to economic (cost) uncertainty more so than to technical barriers, as the advanced biofuel blends developed here can improve cold-weather fuel properties, provide similar engine performance, and reduce emissions.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2020

Swab Testing Results Summary

Swabs Tested: 1. FAST Spiral NP Swab, designed and supplied by Abiogenix, printed from polyamide 11 (Nylon) using HP Multi Jet Fusion printers. 2. NP Swab designed by USF Health and Northwell Health in collaboration with Formlabs. Printed at LLNL using the Form 3B stereolithography printer in Formlabs Surgical Guide resin.

42 ENGINEERING↗
DOE OSTI2020

Summer Proceedings 2019

The Computer Science Research Institute (CSRI) brings university faculty and students to Sandia for focused collaborative research on Department of Energy (DOE) computer and computational science problems. The institute provides an opportunity for university researchers to learn about problems in computer and computational science at DOE laboratories. Participants conduct leading-edge research, interact with scientists and engineers at the laboratories, and help transfer results of their research to programs at the labs. Some specific CSRI research interest areas are: scalable solvers, optimization, adaptivity and mesh refinement, graph-based, discrete, and combinatorial algorithms, uncertainty estimation, mesh generation, dynamic load-balancing, virus and other malicious-code defense, visualization, scalable cluster computers and heterogeneous computers, data-intensive computing, environments for scalable computing, parallel input/output, advanced architectures, and theoretical computer science. The CSRI Summer Program includes the organization of a weekly seminar series and the publication of this summer proceedings.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

CSRI Summer Proceedings 2020

The Computer Science Research Institute (CSRI) brings university faculty and students to Sandia for focused collaborative research on Department of Energy (DOE) computer and computational science problems. The institute provides an opportunity for university researchers to learn about problems in computer and computational science at DOE laboratories. Participants conduct leading-edge research, interact with scientists and engineers at the laboratories, and help transfer results of their research to programs at the labs. Some specific CSRI research interest areas are: scalable solvers, optimization, adaptivity and mesh refinement, graph-based, discrete, and combinatorial algorithms, uncertainty estimation, mesh generation, dynamic load-balancing, virus and other malicious-code defense, visualization, scalable cluster computers, data-intensive computing, environments for scalable computing, parallel input/output, advanced architectures, and theoretical computer science. The CSRI Summer Program is organized by CSRI and typically includes the organization of a weekly seminar series and the publication of a summer proceedings. In 2020, the CSRI summer program was executed completely virtually; all student interns worked from home, due to the COVID-19 pandemic.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Data-Driven Buy Clean: Decarbonization and Beyond

This report was compiled to provide recommendations on the availability of public background data from the U.S. Federal life cycle assessment (LCA) Data Commons to be conformant with the Association for Life Cycle Assessment (ACLCA) 2022 Product Category Rule (PCR) Open Standard to build technical tools that can assist industry in creating more comparable Type II Environmental Product Declarations (EPDs) for Federal Buy Clean and sustainability initiatives. The Federal LCA Commons is not only a public data source but also a consistently structured, self-referencing mega-repository for data developed by federal agency experts (in agency repositories) and by academia, nonprofit organizations, and industry (via the US Life Cycle Inventory Database). The Federal LCA Commons Technical Working Group is continuously improving the standardization of data documentation, formatting, and nomenclature to ensure lossless data loading and accurate data representation. This report and appendixes include the following: 1) An introduction to data-driven Buy Clean and decarbonization initiatives at the federal level; 2) The current status and associated challenges with LCA data and EPD standards and comparability; 3) Opportunities for the Federal LCA Commons to support conformance with the ACLCA 2022 PCR Open Standard and provide resources to implement the Federal Sustainability Plan, Buy Clean Program, and Inflation Reduction Act (IRA) sustainability goals and objectives. To date, the Federal LCA Commons is the result of coordinated work by National Renewable Energy Laboratory (NREL), the U.S. Department of Agriculture (USDA), the Environmental Protection Agency (EPA), the National Energy Technology Laboratory (NETL), the Argonne National Laboratory (ANL), the U.S. Army Corps of Engineers (USACE), the Federal Highway Administration (FHWA), the U.S. Forest Service (USFS), the Federal Aviation Administration (FAA), the Department of Defense (DoD) and the National Institute of Standards and Technologies (NIST). The Federal LCA Commons will continue to combine databases from the collaborating agencies while remaining a public resource. There are several initiatives among the collaborating agencies to expand the Federal LCA Commons and dedicated federal funding and resources could accelerate and strengthen these initiatives.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2025

Feature Based Qualification of 17-4PH Stainless Steel to Evaluate Location-Specific Variability in Wire Arc Additive Manufacturing

Qualifying large-scale metal additive manufacturing (M-AM) technologies such as wire arc additive manufacturing (WAAM) can be challenging. This is especially significant in precipitation hardened martensitic stainless steels like SS 17-4PH, where thermal histories induce location-specific microstructural variability and property anisotropy. The Department of Defense (DOD) and the United States Army Combat Capabilities Development Command Ground Vehicle Systems Center (GVSC) Ground Vehicle Materials Engineering (GVME) aim to build robust and qualified large-scale M-AM workflows that could reduce the time and cost through quick and informed evaluation, testing, and development of feedstock, processes, and parts. The report presents the findings from the collaborative efforts between Oak Ridge National Laboratory (ORNL) and the U.S. Army GVSC GVME. The aim of this project was to develop a geometric feature-based qualification framework for WAAM of SS 17-4PH components. This report outlines selection methodology of representative build geometries, optimization of WAAM process parameters, in-situ monitoring, microstructure-property evaluation, thermal simulations, as well as data visualization techniques incorporated in this project. The results from this project demonstrate a clear understanding of thermal history dependent phase evolution and consequent location-specific property variations in WAAM of SS 17-4PH. These results in conjunction with the data-driven methodologies used in this project are expected to reduce qualification timelines, improve predictability, and accelerate the development of reliable feature-based qualification strategies for part production via large-scale M-AM technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Industrial Assessment Center Technical Field Manager

The work to be performed involves managing Industrial Assessment Centers through a portfolio of activities. The core activities to be performed are in the general areas of; quality assurance of IAC operations, enhancement of the student IAC experience, program development for improving assessments and implementing smart manufacturing projects, program outreach to carry assessment successes beyond the program, and program integration with other DOE/manufacturing assistance programs. The IAC Technical Field Management Organization (FMO) works in close collaboration with DOE and provides technical management for the IAC program working under policy guidelines established by DOE.

42 ENGINEERING↗
DOE OSTI2020

Call for Participation: Collaborative Benchmarking of Functional-Structural Root Architecture Models. The Case of Root Water Uptake

Three-dimensional models of root growth, architecture and function are becoming important tools that aid the design of agricultural management schemes and the selection of beneficial root traits. However, while benchmarking is common in many disciplines that use numerical models, such as natural and engineering sciences, functional-structural root architecture models have never been systematically compared. The following reasons might induce disagreement between the simulation results of different models: different representation of root growth, sink term of root water and solute uptake and representation of the rhizosphere. Presently, the extent of discrepancies is unknown, and a framework for quantitatively comparing functional-structural root architecture models is required. We propose, in a first step, to define benchmarking scenarios that test individual components of complex models: root architecture, water flow in soil and water flow in roots. While the latter two will focus mainly on comparing numerical aspects, the root architectural models have to be compared at a conceptual level as they generally differ in process representation. Therefore, defining common inputs that allow recreating reference root systems in all models will be a key challenge. In a second step, benchmarking scenarios for the coupled problems are defined. We expect that the results of step 1 will enable us to better interpret differences found in step 2. This benchmarking will result in a better understanding of the different models and contribute toward improving them. Improved models will allow us to simulate various scenarios with greater confidence and avoid bugs, numerical errors or conceptual misunderstandings. This work will set a standard for future model development.

Plant Sciences↗
DOE OSTI2013

Risk-Based Comparison of Carbon Capture Technologies

In this paper, we describe an integrated probabilistic risk assessment methodological framework and a decision-support tool suite for implementing systematic comparisons of competing carbon capture technologies. Culminating from a collaborative effort among national laboratories under the Carbon Capture Simulation Initiative (CCSI), the risk assessment framework and the decision-support tool suite encapsulate three interconnected probabilistic modeling and simulation components. The technology readiness level (TRL) assessment component identifies specific scientific and engineering targets required by each readiness level and applies probabilistic estimation techniques to calculate the likelihood of graded as well as nonlinear advancement in technology maturity. The technical risk assessment component focuses on identifying and quantifying risk contributors, especially stochastic distributions for significant risk contributors, performing scenario-based risk analysis, and integrating with carbon capture process model simulations and optimization. The financial risk component estimates the long-term return on investment based on energy retail pricing, production cost, operating and power replacement cost, plan construction and retrofit expenses, and potential tax relief, expressed probabilistically as the net present value distributions over various forecast horizons.

Engel, David W.↗
DOE OSTI2021

Reusability First: Toward FAIR Workflows

The FAIR principles of open science (Findable, Accessible, Interoperable, and Reusable) have had transformative effects on modern large-scale computational science. In particular, they have encouraged more open access to and use of data, an important consideration as collaboration among teams of researchers accelerates and the use of workflows by those teams to solve problems increases. How best to apply the FAIR principles to workflows themselves, and software more generally, is not yet well understood. We argue that the software engineering concept of technical debt management provides a useful guide for application of those principles to workflows, and in particular that it implies reusability should be considered as ‘first among equals’. Moreover, our approach recognizes a continuum of reusability where we can make explicit and selectable the tradeoffs required in workflows for both their users and developers.To this end, we propose a new abstraction approach for reusable workflows, with demonstrations for both synthetic workloads and real-world computational biology workflows. Through application of novel systems and tools that are based on this abstraction, these experimental workflows are refactored to rightsize the granularity of workflow components to efficiently fill the gap between end-user simplicity and general customizability. Our work makes it easier to selectively reason about and automate the connections between trade-offs across user and developer concerns when exposing degrees of freedom for reuse. Additionally, by exposing fine-grained reusability abstractions we enable performance optimizations, as we demonstrate on both institutional-scale and leadership-class HPC resources.

Wolf, Matthew↗
DOE OSTI2017

A structured data model frame for human factors application - 175

Building a Human Factors analysis and Verification and Validation case for new control rooms and even for control room modifications is a highly labor intensive project. Any optimization that can be made in the process translates into savings in the overall control room project schedule and budget. Several support tools from word, to excel, mind maps and databases have been traditionally used by human factors practitioners to conduct the analysis and document its results. While the use of these tools has had satisfactory results, they don't provide in our experience strong enough means for configuration control management, to avoid duplicities, streamline the analysis processes and allow collaborative team efforts. This paper documents how the established practices (methods, processes and tools) were questioned, which were the sources for comparison and how the results were translated into requirements for the new tool constituting the data frame model for Human Factors Engineering applications. The exercise has allowed us to evaluate the efficiency of our current practices in comparison to previous ones while improving our compliance with the quality assurance standards. (authors)

42 ENGINEERING↗
DOE OSTI2015

Design of water-moderated heterogeneous cores in new STACY facility through JAEA/IRSN collaboration - 14363

In the post-Fukushima prospect, Japan Atomic Energy Agency, JAEA, intends to re-open its Static Experiment Critical Facility STACY, in order to contribute to the validation of fuel debris calculations in conditions close to those affected by the Fukushima Daiichi Nuclear Power Station accident. The reactor core of STACY is being modified by JAEA from homogeneous solution fuel core to heterogeneous pin- type fuel core. The first step of critical experiments is to establish reference experiments involving lattices of UO{sub 2} rods without fuel debris. A design of such experiments is in progress for the widest range of moderation ratios in the frame of JAEA/IRSN collaboration. To anticipate the specification values of materials to be manufactured (grids, rods), an evaluation of uncertainties pertaining to the different parameters driving k{sub eff} is paramount. The following uncertainties of experimental cores are evaluated to estimate the reactivity effect of engineering tolerance/or measurements of the modified STACY: (1) Density of fuel pellets, (2) Enrichment of uranium, (3) Diameter of fuel pellets, (4) Thickness of fuel claddings, (5) Impurities of fuel pellets, (6) Impurities of fuel claddings and (7) Positioning of fuel rods in the lattice. For these calculations, three types of moderation conditions were considered within the experimental parameters of STACY: the lowest moderation (lattice pitch = 1.15 cm; V{sub m}/V{sub f}=1.2), optimum moderation (lattice pitch = 1.5 cm, V{sub m}/V{sub f} = 2.9) and an over moderated case (lattice pitch = 2.55 cm; V{sub m}/V{sub f} = 11). The calculations to derive the overall uncertainty of modified STACY were performed propagating the 1σ uncertainties of parameters of existing STACY in terms of k{sub eff}. For that purpose, a perturbation calculation (differential operator) technique and a stochastic geometry modeling technique were used with the MCNP5 continuous energy Monte Carlo code and a point-wise cross section library based on the JENDL-4.0 evaluated nuclear data library. Moreover, the results of calculations were compared with those calculated by two continuous energy Monte Carlo codes using the correlated sampling technique: - An experimental version of the Japanese MVP2 code combined to the JENDL-4.0 nuclear data library, - The MORET 5 code, developed by IRSN, combined to the JEFF-3.1 nuclear data library. The proposed paper discusses all the aforementioned issues, and confirms that the uncertainty pertaining to the critical experiments of the STACY is sufficiently small. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

Resilient, Rural, and Revolutionary: Salisbury Square's Direct-Current Affordable Microgrid Community: Preprint

The technology to interconnect buildings with a dedicated direct-current (DC) power distribution network is in place today; what is missing is a turnkey approach to designing a DC microgrid - and the business models allowing such systems to be deployed, owned, and operated at scale. To close this gap, the Salisbury Square Development Team, comprising clean-energy experts, has engineered a resilient community DC microgrid for an affordable housing community in Randolph, Vermont. Ten single-family, occupant-owned residences and 12 multifamily rental units will share locally generated and stored solar energy via a DC power distribution bus capable of operating during extended grid outages. With a DC power distribution network in place, each home will be equipped with high-efficiency DC lighting and appliances, operating alongside alternating current (AC) appliances, even during an islanded mode of operation. To obtain a comprehensive understanding of what is possible and achievable, the Team collaborated with the local utility, regulatory agencies, a national laboratory, energy-as-service providers, and vendors. The collaborators evaluated microgrid typologies, business models, and energy modeling, and analyzed electrification and resilience. Further, the Team applied the URBANoptTM (Urban Renewable Building and Neighborhood optimization, NREL 2022) software development kit (SDK) to Salisbury Square's single-family and multifamily buildings to validate workflows and identify needs for advanced capability. This paper addresses the barriers to entry, scalability, and impact on residents and system ownership. It also examines the analysis that informed the design and engineering of the DC microgrid and the opportunities to streamline the process.

DER↗
DOE OSTI2015

Project ATHENA Creates Surrogate Human Organ Systems

The development of miniature surrogate human organs, coupled with highly sensitive mass spectrometry technologies, could one day revolutionize the way new drugs and toxic agents are studied. “By developing this ‘homo minutus,’ we are stepping beyond the need for animal or Petri dish testing: There are huge benefits in developing drug and toxicity analysis systems that can mimic the response of actual human organs,” said Rashi Iyer, a senior scientist at Los Alamos National Laboratory. ATHENA, the Advanced Tissue-engineered Human Ectypal Network Analyzer project team, is nearing the full integration of four human organ constructs — liver, heart, lung and kidney — each organ component is about the size of a smartphone screen, and the whole ATHENA “body” of interconnected organs will fit neatly on a desk. A new video available on the Los Alamos National Laboratory YouTube channel updates the ATHENA project as it begins to integrate the various organ systems into a single system. Some 40 percent of pharmaceuticals fail their clinical trials and there are thousands of chemicals whose effects on humans are simply unknown. Providing a realistic, cost-effective and rapid screening system such as ATHENA with high-throughput capabilities could provide major benefits to the medical field, screening more accurately and offering a greater chance of clinical trial success. ATHENA is funded by the Defense Threat Reduction Agency (DTRA) and is a collaboration of Los Alamos National Laboratory, Harvard University, Vanderbilt University, Charité Universitätsmedizin, Berlin, Germany, CFD Research Corporation, and the University of California San Francisco.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2013

Performance Evaluation of Axial Flow AG-1 FC and Prototype FM (High Strength) HEPA Filters - 13123

High efficiency particulate air (HEPA) filters are routinely used in DOE nuclear containment activities. The Nuclear Air Cleaning Handbook (NACH) stipulates that air cleaning devices and equipment used in DOE nuclear applications must meet the American Society of Mechanical Engineers (ASME) Code on Nuclear Air and Gas Treatment (AG-1) standard. This testing activity evaluates two different axial flow HEPA filters, those from AG-1 Sections FC and FM. Section FM is under development and has not yet been added to AG-1 due to a lack of qualification data available for these filters. Section FC filters are axial flow units that utilize a fibrous glass filtering medium. The section FM filters utilize a similar fibrous glass medium, but also have scrim backing. The scrim-backed filters have demonstrated the ability to endure pressure impulses capable of completely destroying FC filters. The testing activities presented herein will examine the total lifetime loading for both FC and FM filters under ambient conditions and at elevated conditions of temperature and relative humidity. Results will include loading curves, penetration curves, and testing condition parameters. These testing activities have been developed through collaborations with representatives from the National Nuclear Security Administration (NNSA), DOE Office of Environmental Management (DOE-EM), New Mexico State University, and Mississippi State University. (authors)

42 ENGINEERING↗
DOE OSTI2017

Computational Flame Diagnostics for Direct Numerical Simulations with Detailed Chemistry of Transportation Fuels

The goal of the proposed research is to create computational flame diagnostics (CFLD) that are rigorous numerical algorithms for systematic detection of critical flame features, such as ignition, extinction, and premixed and non-premixed flamelets, and to understand the underlying physicochemical processes controlling limit flame phenomena, flame stabilization, turbulence-chemistry interactions and pollutant emissions etc. The goal has been accomplished through an integrated effort on mechanism reduction, direct numerical simulations (DNS) of flames at engine conditions and a variety of turbulent flames with transport fuels, computational diagnostics, turbulence modeling, and DNS data mining and data reduction. The computational diagnostics are primarily based on the chemical explosive mode analysis (CEMA) and a recently developed bifurcation analysis using datasets from first-principle simulations of 0-D reactors, 1-D laminar flames, and 2-D and 3-D DNS (collaboration with J.H. Chen and S. Som at Argonne, and C.S. Yoo at UNIST). Non-stiff reduced mechanisms for transportation fuels amenable for 3-D DNS are developed through graph-based methods and timescale analysis. The flame structures, stabilization mechanisms, local ignition and extinction etc., and the rate controlling chemical processes are unambiguously identified through CFLD. CEMA is further employed to segment complex turbulent flames based on the critical flame features, such as premixed reaction fronts, and to enable zone-adaptive turbulent combustion modeling.

42 ENGINEERING↗