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Advanced Engine and Fuel Technologies Annual Progress Report (FY2019)

On behalf of the Vehicle Technologies Office of the U.S. Department of Energy, we are pleased to introduce the Fiscal Year (FY) 2019 Annual Progress Report for the Advanced Engine and Fuel Technologies Program. In support of the Vehicle Technology Office’s goal for future U.S. economic growth, the Program focuses on early-stage research and development to improve understanding of combustion processes, fuel properties, and emissions control technologies, generating knowledge and insight necessary for industry to cost-effectively develop the next generation of engines and fuels. One of the most promising and cost-effective approaches to improving the fuel economy of the U.S. vehicle fleet is to introduce the next generation of higher-efficiency, very-low-emission combustion engines that meet future federal emissions regulations into the passenger and commercial vehicle markets. Advanced fuel formulations that can incorporate non-petroleum-based blending agents could further enhance engine efficiency, reduce greenhouse gas emissions, and provide fuel diversification. Also, innovations in combustion, fuels, emissions control, air control, turbomachinery, and energy recovery could potentially increase fuel economy considerably compared to today’s vehicles. The expected national economic, environmental, and energy security benefits from these next-generation engines and fuels would be significant inasmuch as the majority of vehicles sold over the next several decades will still include an engine. The Program has set the following goals for passenger and commercial vehicle fuel economy improvements. By 2030, increase light-duty engine efficiency to demonstrate 35% improvement in passenger vehicle fuel economy (25% improvement from engine efficiency and 10% from fuel co-optimization) relative to a 2015 baseline vehicle, while meeting the U.S. Environmental Protection Agency Tier 3 Emission and Fuel Standards. By 2030, improve heavy-duty engine efficiency by 35% relative to a 2009 baseline vehicle and identify cost-effective high-performance fuels that can further increase efficiency up to an additional 4%, while meeting prevailing U.S. Environmental Protection Agency emissions standards. The Program utilized advanced combustion processes to increase engine efficiency, resulting in a modeled passenger vehicle fuel economy improvement of 19.4% (over a Model Year 2015 baseline) in FY 2019. This report highlights progress achieved by the Advanced Engine and Fuel Technologies Program during FY 2019. The nature, current focus, and recent progress of the Program are described together with summaries of National Laboratory, industry, and university projects that provide an overview of the exciting work being conducted to address critical technical barriers and challenges to commercializing the next generation of higher-efficiency engine, emissions control, and fuel technologies for passenger and commercial vehicles.

33 ADVANCED PROPULSION SYSTEMS↗

Multi-stage heat release of multi-component fuels: Insights and implications for advanced engine operation

Multi-stage heat release (MSHR) is a unique phenomenon typically seen in lean/diluted and low- to intermediate-temperature combustion. Despite its relevance to advanced engine operation, the MSHR of multi-component fuels has barely been quantified. This study aims to characterize the MSHR of multi-component fuels in a rapid compression machine (RCM) at conditions representative of advanced combustion engines. New experimental data are first reported in the RCM at an equivalence ratio of 0.4, pressure of 60 bar and temperatures from 702 to 795 K for a research grade, multi-component gasoline surrogate, termed PACE-20. Here, experiments confirm the existence of MSHR for PACE-20 at all temperatures, and reveal the strong inhibiting effect of temperature on MSHR, where increasing temperature inhibits MSHR by suppressing first stage heat release and promoting second and third stage heat release. A detailed chemical kinetic model is also adopted to model the experiments, with good agreement observed. The response of MSHR characteristics to changes in different engine operating parameters (i.e., temperature, pressure, equivalence ratio and CO 2 dilution level) and fuel compositions (i.e., mole fraction of n-pentane, n-heptane, isooctane, cyclopentane, 1-hexene, ethanol and aromatics in PACE-20) is further evaluated via statistical analysis coupling quasi-random sampling, extensive computer experiments and high-dimensional model representation. The change in MSHR is characterized through 8 quantities of interest (QOIs), i.e., duration and extent of each heat release stage, and their standard deviations. The analysis highlights the dependence of the QOIs on the individual parameters as well as their interplays, with temperature exhibiting the strongest impact among all parameters. Furthermore, it is demonstrated that if MSHR is to be facilitated and combustion phasing is to be extended to enable engine operation at higher compression ratios, it is recommended to operate the engine at low intake temperatures, boosted intake pressures and high CO 2 dilutions (i.e., high EGR levels) with gasoline fuels containing more n-pentane and less aromatics.

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Advanced Engine and Fuel Technologies 2021 Annual Progress Report

This report highlights progress achieved by the Advanced Engine and Fuel Technologies Program during fiscal year 2021. The nature, current focus, and recent progress of the Program are described together with summaries of National Laboratory, industry, and university projects that provide an overview of the exciting work being conducted to address critical technical barriers and challenges to commercializing higher-efficiency engine, emissions control, and fuel technologies for passenger and commercial vehicles.

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Advanced Engine and Fuel Technologies FY2020 Annual Progress Report

In support of the Vehicle Technology Office’s goal for future U.S. economic growth, the Advanced Engine and Fuel Technologies Program focuses early-stage research and development on improving the understanding of combustion processes, fuel properties, and emissions control technologies, generating knowledge and insight necessary for industry to develop the next generation of engines and fuels for the efficient, cost-effective, and secure transportation of people and goods across America.

33 ADVANCED PROPULSION SYSTEMS↗

Applications of targeted proteomics in metabolic engineering: advances and opportunities

Optimization of metabolically engineered organisms requires good understanding of producing balanced level of pathway proteins. Targeted proteomics via selected-reaction monitoring (SRM) has been increasingly used in metabolic engineering studies to detect and quantify sets of proteins with high selectivity, multiplexity, and reproducibility. In combination with metabolomics and other omics tools, targeted proteomics has helped optimize the production of many bio-based chemicals in various metabolic engineering cell factories. In this review, we present recent applications of targeted proteomics in metabolic engineering studies and highlight several successful cases of targeted proteomics in boosting production of commodity and high value chemicals. Additionally, we also discuss challenges and limitations of current targeted proteomics and map opportunities for future research.

59 BASIC BIOLOGICAL SCIENCES↗

An extensible vector toolkit and parts library for advanced engineering of plant genomes

Abstract Plant biotechnology is rife with new advances in transformation and genome engineering techniques. A common requirement for delivery and coordinated expression in plant cells, however, places the design and assembly of transformation constructs at a crucial juncture as desired reagent suites grow more complex. Modular cloning principles have simplified some aspects of vector design, yet many important components remain unavailable or poorly adapted for rapid implementation in biotechnology research. Here, we describe a universal Golden Gate cloning toolkit for vector construction. The toolkit chassis is compatible with the widely accepted Phytobrick standard for genetic parts, and supports assembly of arbitrarily complex T‐DNAs through improved capacity, positional flexibility, and extensibility in comparison to extant kits. We also provision a substantial library of newly adapted Phytobricks, including regulatory elements for monocot and dicot gene expression, and coding sequences for genes of interest such as reporters, developmental regulators, and site‐specific recombinases. Finally, we use a series of dual‐luciferase assays to measure contributions to expression from promoters, terminators, and from cross‐cassette interactions attributable to enhancer elements in certain promoters. Taken together, these publicly available cloning resources can greatly accelerate the testing and deployment of new tools for plant engineering.

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Development and Demonstration of Advanced Engine and Vehicle Technologies For Class 8 Heavy Duty Vehicle (Supertruck II)

The PACCAR SuperTruck II program has completed the planned technical work on the project. This work includes the planned vehicle demonstrator showing a greater than 100% improvement in vehicle freight efficiency (on a ton-mile-per-gallon basis) relative to a 2009 baseline, and an engine system demonstration achieving a greater than 55% engine brake thermal efficiency at a 65-mph cruise point on a dynamometer. Both program targets were exceeded by PACCAR with robust margins. Finally, PACCAR used technologies that have a possible route to production, with no specialty or unrealistic solutions proposed.

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Building materials genome from ground‐state configuration to engineering advance

Individual phases are commonly considered as the building blocks of materials. However, the accurate theoretical prediction of properties of individual phases remains elusive. The top-down approach by decoding genomic building blocks of individual phases from experimental observations is nonunique. The density functional theory (DFT), as a state-of-the-art solution of quantum mechanics, prescribes the existence of a ground-state configuration at 0 K for a given system. It is self-evident that the ground-state configuration alone is insufficient to describe a phase at finite temperatures as symmetry-breaking non-ground-state configurations are excited statistically at temperatures above 0 K. Our multiscale entropy approach (recently terms as Zentropy theory) postulates that the entropy of a phase is composed of the sum of the entropy of each configuration weighted by its probability plus the configurational entropy among all configurations. Consequently, the partition function of each configuration in statistical mechanics needs to be evaluated by its free energy rather than total energy. The combination of the ground-state and symmetry-breaking non-ground-state configurations represents the building blocks of materials and can be used to quantitatively predict free energy of individual phases with the free energy of each configuration predicted from DFT as well as all properties derived from free energy of individual phases.

CALPHAD↗

Engineering advancements in microfluidic systems for enhanced mixing at low Reynolds numbers

Mixing within micro- and millichannels is a pivotal element across various applications, ranging from chemical synthesis to biomedical diagnostics and environmental monitoring. The inherent low Reynolds number flow in these channels often results in a parabolic velocity profile, leading to a broad residence time distribution. Achieving efficient mixing at such small scales presents unique challenges and opportunities. This review encompasses various techniques and strategies to evaluate and enhance mixing efficiency in these confined environments. It explores the significance of mixing in micro- and millichannels, highlighting its relevance for enhanced reaction kinetics, homogeneity in mixed fluids, and analytical accuracy. We discuss various mixing methodologies that have been employed to get a narrower residence time distribution. The role of channel geometry, flow conditions, and mixing mechanisms in influencing the mixing performance are also discussed. Various emerging technologies and advancements in microfluidic devices and tools specifically designed to enhance mixing efficiency are highlighted. We emphasize the potential applications of micro- and millichannels in fields of nanoparticle synthesis, which can be utilized for biological applications. Additionally, the prospects of machine learning and artificial intelligence are offered toward incorporating better mixing to achieve precise control over nanoparticle synthesis, ultimately enhancing the potential for applications in these miniature fluidic systems.

Biochemistry & Molecular Biology↗

W-13 Advanced Engineering Analysis Group Overview [Slides]

W-13 provides the Nuclear Weapons Program at Los Alamos National Laboratory with excellence in engineering analysis, predictive modeling, validated simulations, and the quantification of margins and uncertainty. Our customers include the nuclear weapons program, the Department of Homeland Security, and the Department of Defense, among others.

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Through the lens of bioenergy crops: advances, bottlenecks, and promises of plant engineering

Advances in engineering of bioenergy crops were driven over the past years by adapting technological breakthroughs and accelerating conventional applications but also exposed intriguing challenges. New tools revealed rich interconnectivity in the exponentially growing and dynamic 'big' omics data' of metabolomes, transcriptomes, and genomes at previously inaccessible magnitude (global, cross-species, meta-) and resolution (single cell). Insights enabled fresh hypotheses and stimulated disciplines such as functional genomics with discovery of broad regulatory networks and their determinants, that is, DNA parts, including promoters, regulatory elements, and transcription factors. Their rational design, assembly into increasingly complex blueprints, and installation into diverse chassis is an existing frontier that may benefit from emerging technologies to address bottlenecks. Interweaving nature-inspired to fully synthetic parts has already allowed building of fine-tuned regulatory circuits, or new-to-nature metabolic routes insulated from the biological context of the chassis species. Similarly, developments and the evolving need for unifying principles in plant transformation and species-agnostic technologies highlight future opportunities for engineering the next generation of bioenergy plants.

60 APPLIED LIFE SCIENCES↗

Multiple injection for improving knock, gaseous and particulate matter emissions in direct injection SI engines

Advances in fuel injector technology have enabled research and development on a large variety of direct injection spark ignition (DISI) engine fueling strategies targeted to improve engine performance and reduce engine-out emissions. This study explores the effect of multiple injections on knock, engine efficiency and stability, and particulate number and gaseous emissions on a single-cylinder DISI research engine. Work to date on multiple injections in the literature is reviewed, and then two aspects of multiple injection strategies are experimentally investigated: the number of injections (up to five times in a cycle); and the timing of the injections (classified relative to the timing of intake valve opening and closing). A boosted, single-cylinder research engine equipped with a state-of-the-art piezoelectric hollow cone spray direct injector and research-grade E10 gasoline was used for the study. The results show multiple injections maintain torque and combustion stability compared with single injection and slightly increase the knock limits and indicated thermal efficiencies (maximum 0.7% absolute, 2.8% relative compared with single-injection baseline) due to improved heat release phasing, especially with an additional late injection during the intake valve closed (compression stroke) period. The gaseous pollutant emissions including nitrogen oxides and unburned hydrocarbons were reduced by 25% with multiple injections, particularly with injection during the compression stroke. In contrast, carbon monoxide emissions increased with multiple injections for all conditions. Increasing the number of injection events significantly reduced particulate number emissions (half with each additional injection), and the decrease in particulate number was not sensitive to the injection timing.

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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

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Impact of Selected High-Performance Fuel Blends on Three-Way Catalyst Light Off under Synthetic Spark-Ignition Engine-Exhaust Conditions

The U.S. Department of Energy funded Co-Optimization of Fuels and Engines initiative aims to simultaneously develop advanced engines along with high-performance fuels to reduce petroleum consumption. The engine exhaust of spark-ignited light-duty vehicles contains pollutants such as nitrogen oxides, carbon monoxide (CO), and non-methane organic gases. When operated above their “light-off” temperature, three-way catalysts (TWCs) efficiently control the emissions of these pollutants from the vehicle exhaust. However, below the catalyst light-off temperature, during cold start, the TWCs are not effective. Thus, the stringent environmental regulations necessitate cold-start compliance of advanced engines operating on novel fuels for commercialization. Exhaust composition strongly impacts the effectiveness of TWCs. Hence, ensuring that the high-performance fuels under consideration do not have detrimental effects on current emissions control technology is necessary. To mitigate cold-start emissions, a low light-off temperature of the fuel on the TWC is desirable. As real-world fuels are multicomponent blends, we conducted investigations into the light-off behavior of representative fuel mixtures on a three-mode redox-aged commercial TWC under synthetic engine-exhaust conditions. The high-performance fuels in this study included 10–30% volumetric levels of ethanol, isobutanol, diisobutylene, and an aromatic mixture. Each of these high-performance fuel components was mixed into a gasoline surrogate blendstock for oxygenate blending (BOB). Our results showed that aromatics and alkenes in the surrogate BOB inhibit low-temperature reactivity of alkanes, alcohols, and CO on the TWC and dominate the blend light-off behavior. All the high-performance fuel blends had a very similar light-off behavior to the surrogate gasoline BOB, indicating that blending up to 30% (by vol.) of high-performance blendstocks in a gasoline base fuel can potentially reduce greenhouse gas emissions through improved engine efficiency and petroleum displacement without jeopardizing the ability to meet emissions regulations. While some high-performance blendstocks demonstrated lower light-off temperatures than a surrogate gasoline blend, taking advantage of the higher catalytic reactivity of these blendstocks to reduce cold-start emissions would require reducing the aromatic content in petroleum-based market fuels.

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Gasoline Engine and Fuels Offering Reduced Fuel Consumption and Emissions: Vehicle Modeling Final Report

The Gasoline Engine and Fuels Offering Reduced Fuel Consumption and Emissions (GEFORCE) project was proposed in response to the U.S. Department of Energy’s Funding Opportunity Announcement 0991 by a team made up of the members of the Coordinating Research Council (CRC) and the research staff at Oak Ridge National Laboratory (ORNL.) The project focused on investigating the potential benefits that might be attained through synergistic use of specific engine technology together with fuels formulated to represent potential directions that high-octane fuels of the future might progress. A stated objective in the DOE FOA was to demonstrate a 25% reduction in petroleum consumption through optimization of the engine technologies together with a suitable fuel. An advanced engine was constructed and used with a matrix of research fuels to investigate potential avenues for efficiency improvement. The engine incorporated technologies expected to become mainstream for boosted engines in the next 10 to 20 years. These included increased compression ratio, a two-stage turbocharger, and cooled external exhaust gas recirculation (EGR). The fuel matrix was designed to investigate impacts from research octane number (RON), volumetric ethanol content, and the final boiling point of the fuel. The engine calibration was optimized for each fuel individually and data collected to enable vehicle system modelling that projected energy consumption, fuel economy, tailpipe CO₂ emissions, and impact on petroleum consumption for an industry-average mid-size sedan. The engine calibration and data collection were carried out at IAV in Michigan and is the subject of a separate report. IAV provided the engine data to Oak Ridge National Laboratory to support the vehicle modelling portion of the project. The vehicle modelling results show the following trends: Ethanol content does have a consistently strong influence on the fuel economy results for all cycles and all fuels. Among the fuels of a nominal RON level, increasing ethanol content consistently lowers fuel economy, with the 30% ethanol fuels always providing the lowest fuel economy for a given RON level. However, in some cases the energy consumption improvement allows the 30% ethanol fuels to match the fuel economy of the ethanol-free fuel P. These observations underscore the importance of both engine efficiency and fuel volumetric energy content on vehicle fuel economy.; There was no consistent trend in the projected energy consumption results for differences in fuel T90 for all fuels and cycles. Fuel economy projections did show a consistent trend, with the higher T90 fuel providing slightly greater fuel economy when compared to the low T90 fuel of the same ethanol content. The observed trends were consistent with differences in the heating value of the fuels.; The 102-RON fuels provided reduced energy consumption and greater fuel economy for the advanced engine on all drive cycles. The engine compression ratio of 11.5 was higher than would typically be used in a turbocharged engine when 92-RON fuel use is expected. Hence, the engine experiences more efficiency degradation from knock avoidance when using the 92-RON fuels. This degradation causes the fuel economy results for the 92-RON fuels to be lower than those for the 102-RON fuels.; Fuels E and F (92-RON, 30% ethanol) are projected to achieve 10% or greater reduction in petroleum consumption, with fuels K (102-RON, 30% ethanol) and O (97 RON, 30% ethanol) achieving greater than a 20% reduction. Fuel L (102-RON, 30% ethanol) achieves greater than 25% reduction, meeting the petroleum reduction target of the project. All of the fuels that achieve 10% or greater reduction in petroleum consumption are 30% ethanol blends.; Increasing final boiling point increased fuel economy at fixed ethanol content when the 102-RON fuels were used. This trend is a result of differences in the volumetric energy content of the fuels and the projected energy consumption values for the fuels. In the case of the 102-RON fuels, increasing final boiling point also resulted in an increase in the energy content of the fuel. There was not a consistent trend between the energy content and final boiling point for the 92-RON fuels at fixed ethanol content.

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