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At least 73 records · Page 4

Engine Combustion System Optimization Using Computational Fluid Dynamics and Machine Learning: A Methodological Approach

Gasoline compression ignition (GCI) engines are considered an attractive alternative to traditional spark-ignition and diesel engines. Here, a Machine Learning-Grid Gradient Ascent (ML-GGA) approach was developed to optimize the performance of internal combustion engines. ML offers a pathway to transform complex physical processes that occur in a combustion engine into compact informational processes. The developed ML-GGA model was compared with a recently developed Machine Learning-Genetic Algorithm (ML-GA). Detailed investigations of optimization solver parameters and variable limit extension were performed in the present ML-GGA model to improve the accuracy and robustness of the optimization process. Detailed descriptions of the different procedures, optimization tools, and criteria that must be followed for a successful output are provided here. The developed ML-GGA approach was used to optimize the operating conditions (case 1) and the piston bowl design (case 2) of a heavy-duty diesel engine running on a gasoline fuel with a research octane number (RON) of 80. The ML-GGA approach yielded >2% improvements in the merit function, compared with the optimum obtained from a thorough computational fluid dynamics (CFD) guided system optimization. The predictions from the ML-GGA approach were validated with engine CFD simulations. This study demonstrates the potential of ML-GGA to significantly reduce the time needed for optimization problems, without loss in accuracy compared with traditional approaches.

33 ADVANCED PROPULSION SYSTEMS↗

Effects of stratification and charge cooling on combustion in a gasoline direct-injection compression ignition (GDCI) engine

With the development of low temperature engine combustion strategies, performance of gasoline-type fuels under compression ignition conditions has attracted extensive research interest. Meanwhile, for the sake of co-optimization of engines and fuels for future ground transportation, identification and evaluation of general fuel properties should be a core research priority instead of endless testing of specific fuels. In this study, the roles of fuel octane sensitivity in characterizing the ignition performance of gasoline surrogates have been systematically investigated under typical gasoline direct ignition compression ignition (GDCI) engine conditions using 3D combustion CFD simulation, especially considering the subsequent in-cylinder charge stratification and charge cooling. Two different operating conditions, high boost pressure low boost temperature (beyond-RON) case and low boost pressure high boost temperature (beyond-MON) case, were considered. By comparing with our previous zero-dimensional chemical kinetic study of gasoline surrogates in advanced compression ignition (ACI) engines, the effects of stratification and charge cooling on the combustion processes are investigated. It is found that different fuel octane sensitivities lead to slight difference in equivalence ratio stratification and charge cooling due to differences in volatility. However, fuel reactivity is still the more dominant factor than the stratification and charge cooling effects in determining combustion phasing. The present results help to justify the P-T domain framework for engine autoignition analysis of overlapping pressure-temperature trajectory with ignition delay iso-contour. Here, the results also provide useful guidance to the understanding of GCI combustion process, and to the evaluation of controlling fuel properties and the selection of alternative fuels in GCI engines.

33 ADVANCED PROPULSION SYSTEMS↗

Scalable Geometric Modeler for Overlap Detection and Resolution (ASC IC L2 Milestone 7181 FY2020 Final Review)

The final review for the FY20 Advanced Simulation and Computing (ASC) Integrated Codes (IC) L2 Milestone #7181 was conducted on August 31, 2020 at Sandia National Laboratories in Albuquerque, New Mexico. The review panel unanimously agreed that the milestone has been successfully completed. Roshan Quadros (1543) led the milestone team and various members from the team presented the results. The review panel was comprised of staff from Sandia National Laboratories Albuquerque and California that are involved with computational engineering modeling and analysis. The panel consisted of experts in the fields of solid modeling, discretization, meshing, simulation workflows, and computational analysis including personnel Brett Clark (1543, Chair); Jay Foulk (8363); Jackie Moore (1553); Ron Kensek (1341); Ed Hoffman (8753); Dan Ibanez (1443). The presentation documented the technical approach of the team and summarized the results with sufficient detail to demonstrate both the value and the completion of the milestone. A separate SAND report was also generated with more detail to supplement the presentation. The purpose of the milestone was to advance capabilities for automatically finding, displaying, and resolving geometric overlaps in CAD models.

97 MATHEMATICS AND COMPUTING↗

Blunt Impact Brain Injury using Cellular Injury Criterion

The Advanced Combat Helmet (\ACH") military specification (\mil-spec") requires a helmeted magnesium (\Mg") Department of Transportation (\DOT") headform be dropped vertically, with an impact speed of 3.1 m/s (10 ft/s), onto a steel hemispherical target. The pass/fail criteria are based on translational acceleration (150 G) alone, absent of any rotational component. Without a rotational component, the specification's injury risk application is limited to skull fracture and peripheral hematomas (subdural, subarachnoid), since this translational acceleration injury risk assessment is based on the Wayne State Tolerance Curve (\WSTC"). To provide a more comprehensive view of injury for the entire brain, an alternative approach is needed. To meet this need, we worked with a larger group called PANTHER, a collaboration between national laboratories, industry, and academia. Collaborations specific to research and results presented here come from efforts led by Mr. Ron Szalkowski and Mr. Sushant Malave, Ms. Alice Fawzi, and Dr. Christian Franck. We have developed a prototypical injury risk criterion based on the neuronal response to abrupt changes in general motion (translation, rotation, or both). The cellular-based mild traumatic brain injury (\cbmTBI") criterion utilizes both the strain and strain rate of brain tissue to account for the stretch and rate of stretch that occurs throughout the brain as a result of blunt impact to the head. We conducted physical experiments of an ACH-fitted magnesium headform, which produced repeatable headform peak accelerations. Then, we developed a simulation of the experiment, and validated the simulation output with the experimental data. We then substituted the magnesium headform with a human headform, consisting of skin, muscle, bone, gray matter, white matter, cerebral-spinal fluid, membranes, vasculature, intravertebral discs, airway and sinus. We quantified brain injury risk using the cbmTBI criterion, using the current mil-spec test and a modified test. The modified mil-spec test used an inclined anvil target that was located posterior to the crown of the helmet in the axial plane. While the current mil-spec test produced brain deformation from head translation alone, the modified test produced brain deformation from head translation and rotation, which is closer to most real world and combat theater impacts (e.g., such as occur in tertiary blast exposure). Compared to the current mil-spec test, the modified test produced elevated strains in the human digital twin. These data, mapped to the cbmTBI criterion, suggest increased injury risk for blunt impacts that cause rotation and translation, rather than just translation alone. Moreover, these data may lead to a rotational performance metric, which is rooted in the biology and pathology of the brain's response to impact and blast, and which should be used to improve next-generation helmet designs.

42 ENGINEERING↗

Advanced Light-Duty Spark Ignition Engine Research: Co-Optimization of Fuels and Engines and Partnership to Advance Combustion Engines (FY2020 Annual Progress Report)

This report covers recent progress on research tasks that support both the Co-Optimization of Fuels and Engines (Co-Optima) initiative and the Partnership to Advance Combustion Engines (PACE) consortium. The Co-Optima tasks further the science-base needed by industry stakeholders to co-evolve the next generation of highly efficient direct injection spark ignition (DISI) engines and new gasoline-type fuels. The research emphasis is on fuel effects on multimode spark ignition (SI) engine operation, which uses traditional non-dilute stoichiometric operation for peak load and power but reverts to lean operation at lower loads to provide higher fuel economy. This work focuses on determining desirable fuel specifications in terms of well-established metrics like research octane number (RON) and motor octane number, but it also involves the assessment of new fuel metrics, including fuel sooting propensity and phi-sensitivity. The PACE task supports the development of predictive computational fluid dynamics (CFD) modeling, which promises to unlock new strategies for high-efficiency combustion while minimizing tailpipe emissions. Here, the primary fuel is a regular E10 gasoline (i.e., a regular gasoline blend containing 10% ethanol), and focus is on fuel-spray dynamics and soot emissions. Soot-formation pathways are studied to determine how the pathways change with injection strategies and the thermal state of the engine (i.e., cold-starting vs. fully warmed-up operation). This PACE task also contributed to the development of an optimal E10 gasoline surrogate fuel, as reported in detail elsewhere

33 ADVANCED PROPULSION SYSTEMS↗

Serendipitous discovery connects grandfather and granddaughter at the Lab 60 years apart A third-generation employee learns about Los Alamos family history

The Lab’s enduring mission work means staff like Cameron Townsend are one of many family members who have careers at LANL. Cameron is her family’s third generation to work at the Lab, starting with her great grandparents, followed by her grandparents (skipping her parents), and now including her and her husband. She didn’t know about her family history at the Lab until she started working here three years ago when a typical day on the job became a serendipitous window into her family’s long history with the Lab. Cameron, who is an architect in EPC-ES: Environmental Stewardship and helps manage the Lab’s historic buildings program, was given a drawing from 1960 to aid in an assessment. The drafter’s name on the sketch: Ron Turner, her grandfather.

99 GENERAL AND MISCELLANEOUS↗

Non-Equilibrium Plasma Interactions with Biomaterials, Biological Solutions and Tissues

Cold atmospheric pressure plasma discharges offer an abundant source of reactive oxygen and nitrogen species (RONS) at room temperature enabling unique interactions with biomaterials, biological solutions and tissues. These interactions particularly with living matter are presently an important intellectual frontier in plasma science with promising potential applications ranging from human health care to advanced biomaterial processing. Exciting case studies have been reported that illustrate the huge potential of cold atmospheric plasma technology in wound healing and cancer treatment. The interaction of plasma with conducting and dielectric biomaterials such as tissue strongly influences the plasma properties. In turn this changes the impact of the plasma on the biomaterial. Particularly in the case of living matter, liquid based solutions are ubiquitous which complicates interfacial processes. The lack of insight into the underlying mechanisms of the interaction of plasma with wounds and tumors is currently a bottleneck for the further development of the technology and gives rise to many interesting scientific questions. This project was focused on plasma properties and kinetics during plasma-biomaterial interactions. Both DC pulsed and RF driven atmospheric pressure plasma jets, extensively used by the plasma community were studied. The bio-interfaces included hydrogel as a tissue model, (saline) solutions, bacteria and virus. Plasma diagnostics used include Thomson scattering, Rayleigh scattering, Raman scattering, (two-photon absorption) laser induced fluorescence, optical emission spectroscopy, absorption spectroscopy, molecular beam mass spectrometry and fast imaging allowing to determine electron densities and temperatures, ionic species, reactive species including radicals, gas temperatures, gas composition, electric fields and solution components transferred to the gas phase.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Senior Historian Alan Carr presents Lab-wide talk on testing-Nation’s last weapons test marks 30th anniversary

Join Senior Historian Alan Carr as he presents “Introduction to Nuclear Weapons Testing, 1945 to 1992” in commemoration of the 30th anniversary of the nation’s last full-scale nuclear test. Special guest retired Los Alamos test director Ron Cosimi will offer the opening remarks. Attendees will receive an original commemorative poster and can browse a new, temporary Divider test display.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Development of an Optimized Gasoline Surrogate Formulation for PACE Experiments and Simulations

New powertrain solutions are needed to address societal challenges stemming in part from a transportation sector which relies heavily on combustion of conventional hydrocarbon fuels like gasoline. One way to advance new solutions is through predictive simulations. Predictive simulations can potentially limit the extent of experimental validations, reduce time spent in engineering design cycles, unlock new strategies for high efficiency combustion with power density, and minimize tailpipe emissions. However, the simulation tools currently available are either too computationally expensive, inadequate in their accuracy, or a combination of the two. A DOE-funded consortium of national laboratories called the Partnership to Advance Combustion Engines (PACE) seeks to address this gap by rapidly delivering new knowledge and tools which enable market-competitive powertrain solutions for light-duty vehicles. Approaches to modeling combustion in powertrain systems typically incorporate computational fluid dynamics (CFD) simulations with chemical kinetic models. These CFD simulations generally use surrogate fuels featuring a limited number of existing components in a reduced kinetic model to limit computational costs. Such surrogate fuels often sacrifice matching several or more combustion and physical properties of the target gasoline fuel. Validation of surrogate fuels is also often only pursued for a small subset of standard metrics such as research or motor octane number (RON, MON). The purpose of this project is to develop an optimal E10 gasoline surrogate fuel suitable for tasks across PACE to facilitate rapid common analysis and progression toward consortium goals. This project received contributions from tasks led by eight PACE principal investigators. The project funding here reflects all tasks under Pitz, whose tasks also contributed to additional PACE projects. Based on the optimal gasoline surrogate fuel composition, a reduced chemical kinetic model will be shared with PACE researchers, industry, and the broader combustion community.

33 ADVANCED PROPULSION SYSTEMS↗

Independent Fuel Property Effects of Fuel Volatility on Low Temperature Heat Release and Fuel Autoignition (Final Report)

This Cooperative Research and Development Agreement (CRADA) project between Argonne National Laboratory (ANL), Oak Ridge National Laboratory (ORNL), and Shell Global Solutions (Shell) was initiated as part of a Directed Funding Opportunity (DFO) call for proposals from the Co-Optimization of Fuels and Engines (Co-Optima) initiative. Shell had observed that volatile fuels suppress low temperature heat release (LTHR) more than expected based on conventional gasoline autoignition metrics: research octane number (RON) and motor octane number (MON). The role of LTHR contributes to autoignition phenomena for both boosted spark ignition (BSI) and advanced compression ignition (ACI) combustion modes. ACI combustion modes are applicable to large engines in the hard-to-electrify applications such as off-road, rail, and marine. Thus, having a reliable understanding of autoignition phenomena, including being able to accurately account for the effects of fuel volatility, is particularly important as new synthetic and bio-fuel compositions are considered.This CRADA project aimed to test the hypothesis that the decreased LTHR is due to preferential evaporation of multicomponent fuels when using direct injection (DI) fueling technology, creating composition and reactivity stratification. A custom set of fuels was designed and blended to test this hypothesis by Shell, with experimental engine studies at ORNL and engine combustion modeling by ANL. However, the initial experimental findings did not show the expected effect of fuel volatility suppressing LTHR. Instead, the LTHR propensity observed was independent of the fuel volatility. Due to the unexpected experimental result, the remainder of the experimental effort was redirected to study the effect of fuel volatility on emissions under spark-ignited cold-start conditions. However, as with the LTHR experiments, the cold start effort did not show a meaningful effect of fuel volatility on cold start emissions. Meanwhile, improved engine CFD models have been developed for both LTHR and cold start operations for the Shell fuels with different volatilities. While the simulation efforts were not pursued further due to the insignificant effects of fuel volatility as shown in experiments, the models developed can be easily retooled for off-road, rail, and marine applications.

09 BIOMASS FUELS↗

Response to Questionnaire of Grid Control Architecture Description Document: Mission Innovation, Innovation Challenge 1. Task 5 – New Grid Control Architectures. Subtask 5.1 – Collection of Available New Grid Control Architectures

As part of Task 5 (New Grid Control Architectures) of Mission Innovation, Innovation Challenge 1, a questionnaire was provided to all countries participating in the project. In this document, PNNL has responded to the questionnaire with information regarding new grid control architectures being proposed or developed in the US. Ron Melton sent the report to all participants.

24 POWER TRANSMISSION AND DISTRIBUTION↗

ARC-SAFE: Accelerated Response semiconducting Contactors and Surge Attenuation For DC Electrical systems (Final Scientific/Technical Report)

The landscape of power transmission and distribution is quickly evolving as more power conversion is done through power electronics and transmitted or distributed at medium voltage direct current (MVDC). As power electronics tend to store less energy and be less resilient to faults than conventional power transformers, a reliable and fast protection against faults is critical to protect power electronics (PE) based infrastructure, especially for medium- and high-voltage applications. This motivates the development of PE based protection circuits to replace slower contemporary electromechanical breakers. In this project a novel PE based MVDC circuit breaker is developed; the new design is comprised of 1) a normally-on leg made of commercially-available, cascaded SiC junction field effect transistors (JFETs) with a passive balancing network, and 2) a normally-off leg based on an optically-triggered gallium nitride (GaN) photoconductive semiconductor switch (PCSS). The normally-off leg was designed to be quickly turned on, to divert current to an auxiliary dissipative circuit, as the normally-on leg is turned off. This approach, using solid-state devices, was selected for a high-performance, fast-switching operation for the DC circuit breaker as compared to approaches that use slower mechanical switches. To be practical, the circuit breaker must have low conduction loss (low Ron) in the normally-on leg and fast coordinated triggering of the normally-off leg to avoid damage from inductive flyback, which could be considerable for long lengths of cable.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Fuel Effects on Advanced Compression Ignition Load Limits

In order to increase the efficiency of light-duty gasoline engines, the Co-Optimization of Fuels and Engines (Co-Optima) initiative from the U.S. Department of Energy is investigating multi-mode combustion strategies. Multi-mode combustion can be describe as using conventional spark-ignited combustion at high loads, and at the part-load operating conditions, various advanced compression ignition (ACI) strategies are being investigated to increase efficiency. Of particular interest to the Co-Optima initiative is the extent to which optimal fuel properties and compositions can enable higher efficiency ACI combustion over larger portions of the operating map. Extending the speed-load range of these ACI modes can enable greater part-load efficiency improvements for multi-mode combustion strategies. In this manuscript, we investigate fuel effects for six different fuels, including four with a research octane number (RON) of 98 and differing fuel chemistries, iso-octane, and a market representative E10 fuel, on the load limits for two different ACI strategies: spark-assisted compression ignition (SACI) and partial fuel stratification-gasoline compression ignition (PFS-GCI) operation. Experimental results show that limits to intake boosting limit high load operation for most fuels, but high smoke emissions for high particulate matter index (PMI) fuels under SACI conditions could also be a limitation. Contrastingly, low load is limited by combustion efficiency, but these effects have more pronounced variation with fuel chemistry for PFS-GCI than with SACI. Additional, distinct effects affecting autoignition timing and peak heat release at higher speeds were identified for fuels having different low temperature heat release (LTHR) propensities for both ACI modes.

33 ADVANCED PROPULSION SYSTEMS↗

Pressure-temperature effects on knock with iso-octane and propane at various compression ratios and intake temperatures

Knock remains one of the main limitations for increased internal combustion engine efficiency. Recent trends in light-duty vehicles towards downsized, boosted engines increases the need for improving the understanding between fuel chemistry and thermodynamic effects contributing to knock. Previous studies have shown the importance of end-gas thermodynamic conditions on knock onset and behavior, with relationships to fuel chemistry illustrated. However, a complete understanding of how fuels allow access to higher engine loads and the governing physics behind end-gas knock under a wide range of thermodynamic conditions is still unclear. Experiments in this work improve this understanding with the use of three fuels (1) iso-octane, a low octane sensitivity (OS) fuel (2) a Co-Optima aromatic core fuel, which has similar research octane number (RON) yet significantly higher OS, and (3) propane, known for its knock resistance. Engine load sweeps are conducted with each fuel while maintaining a CA50 of 8 crank angle degrees after top dead center (°CA aTDCf). As load increases and knock onset is observed, spark is delayed to its knock limited spark advance (KLSA) allowing further increases in load until either one of two limits is reached; (1) CA50 retard limit (2) Peak cylinder pressure limit. Experiments are conducted at 40°C and 90°C intake temperature and at two distinct compression ratios (rc) 9.2:1 and 13.6:1. Two-zone zero-dimensional simulations were performed in Chemkin to extract end-gas pressure and temperature conditions through the combustion process for each experimental condition of interest. CA50 response as a function of engine load is compared for all experimental conditions and fuels, and a pressure-temperature (PT) trajectory analysis is conducted using constant volume ignition delay contours to explain the behavior of each fuel.

Dal Forno Chuahy, Flavio↗

Personal Resiliency Index

A plethora of information exists in literature focusing on different aspects of personal resilience. There are a number of questionnaires available to measure resilience in different aspects of an individual’s life, such as mental health. However, there is a lack of comprehensive information on the subject of personal resilience to natural and man-made disasters. A Personal Resiliency Index identifying four key areas of resilience related to natural and man-made disasters will help fill this gap by providing individuals an idea of where the stand comparatively to their peers on this topics. As an increasing amount of man-made disasters, natural disasters and pandemics occur, we realize that preparation is key.?“Crisis can be experienced at individual, group and mass levels and at local, regional, national or supra-national levels.” 1? Dr. Ron Fisher, the principal investigator has over 20 years’ critical infrastructure protection including developing vulnerability assessment methodology, risk and resiliency analyses and infrastructure interdependencies. Dr. Fisher and his team will research and develop a voluntary survey which evaluates the user’s personal resilience level to natural and man-made disasters. The research team is focusing on 4 main categories:? financial resilience, cyber security, physical and mental health, and emergency preparedness.?The web based application will?provide a resilience score for each of the categories and also a comprehensive personal resiliency score based on the voluntary survey. The application will also provide feedback to the user on actions to take to become more resilient to natural and man-made disasters. Through this effort, we will also be able to identify the areas where participants are excelling as well as opportunities for improvement in terms of resilience. This information will provide insight into areas of further investigation and identify potential areas of support needed for the general public to adopt strategies to become more resilient. 1 Lynott, William. “Surviving a Natural (or Man-Made) Disaster: How to Prepare for and Bounce Back? from a Crisis in Your Business | 2018-02-01 | NOLN.” Home Page, NOLN, 1 Feb. 2018, https://www.noln.net/articles/2683-surviving-a-natural-or-man-made-disaster-how-to-prepare-for-and-bounce-back-from-a-crisis-in-your-business.

99 GENERAL AND MISCELLANEOUS↗

Proton spin structure and generalized polarizabilities in the strong quantum chromodynamics regime

The strong interaction is not well understood at low energies or for interactions with low momentum transfer. Chiral perturbation theory gives testable predictions for the nucleonic generalized polarizabilities, which are fundamental quantities describing the nucleon’s response to an external field. We report a measurement of the proton’s generalized spin polarizabilities extracted with a polarized electron beam and a polarized solid ammonia target in the region where chiral perturbation theory is expected to be valid. The investigated structure function g2 characterizes the internal spin structure of the proton. From its moments, we extract the longitudinal–transverse spin polarizability δLT and twist-3 matrix element and polarizability d2¯. Our results provide discriminating power between existing chiral perturbation theory calculations and will help provide a better understanding of this strong quantum chromodynamics regime.

Ruth, D↗