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DOE OSTI2019

Modular design: Implementing proven engineering principles in biotechnology

Modular design resides at the foundation of contemporary engineering, enabling rapid, efficient, and reproducible construction and maintenance of complex systems across applications. Remarkably, modularity has recently been discovered as a governing principle in natural biological systems from genes to proteins to complex networks within a cell and organism communities. The convergent knowledge of natural and engineered modular systems provides a key to drive modern biotechnology to address emergent challenges associated with health, food, energy, and the environment. Here, we first present the theory and application of modular design in traditional engineering fields. We further discuss the significance and impact of modular architectures on systems biology and biotechnology. Next, we focus on the very recent theoretical and experimental advances in modular cell engineering that seeks to enable rapid and systematic development of microbial catalysts capable of efficiently synthesizing a large space of useful chemicals. We conclude with an outlook towards theoretical and practical opportunities for a more systematic and effective application of modular engineering in biotechnology.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2018

A detailed modeling study of radiative heat transfer in a heavy-duty diesel engine

In recent years, the importance of radiative heat transfer in combustion has been increasingly recognized. Detailed models have become available that accurately represent the complex spectral radiative properties of reacting gas mixtures and soot particles, and new methods have been developed to solve the radiative transfer equation (RTE). At the same time, the trends toward higher operating pressures and higher levels of exhaust-gas recirculation in compression-ignition engines, together with the demand for higher quantitative accuracy from in-cylinder CFD models, has led to renewed interest in radiative transfer in engines. In this report an in-depth investigation of radiative heat transfer is performed for a heavy-duty diesel truck engine over a range of operating conditions. Results from 10 different combinations of turbulent combustion models, spectral radiation property models, and RTE solvers are compared to provide insight into the global influences of radiation on energy redistribution in the combustion chamber, heat losses, and engine-out pollutant emissions (NO and soot). Also, the relative importance of the individual contributions of molecular gas versus soot radiation, the spectral model, the RTE solver, and unresolved turbulent fluctuations in composition and temperature (turbulence–radiation interactions – TRI) are investigated. Local instantaneous temperatures change by as much as 100 K with consideration of radiation, but the global influences of radiation on heat losses and engine-out emissions are relatively small (in the 5–10% range). Molecular gas radiation dominates over soot radiation, consideration of spectral properties is essential for accurate predictions of reabsorption, a simple RTE solver (a first-order spherical harmonics – P1 – method) is sufficient for the conditions investigated, and TRI effects are small (less than 10%). While the global influences of radiation are relatively small, it is nevertheless desirable to explicitly account for radiation in in-cylinder CFD. To that end, a simplified CFD radiation model has been proposed, based on the findings reported here.

42 ENGINEERING↗

DOE OSTI2023

A physics-driven Σ-Y atomization model for heavy-duty engine simulations

The atomization of a liquid jet is a multi-scale and multi-physics problem of interest for many engineering applications. Particularly, it drives the fuel-oxidizer mixing and dictates the efficiency of combustion engines. High-fidelity multi-phase simulations remain challenging due to the excessive computational cost required to capture all the atomization scales. Thus, atomization models are necessary to represent sub-grid liquid structures. Here, in this work, a modified Σ-Y model in the context of Eulerian-Lagrangian Spray Atomization (ELSA) is used to transport the surface area density of the spray. The model's predictive performance is assessed under various operating conditions relevant to heavy-duty engines using the Engine Combustion Network (ECN) Spray C and Spray D research-grade injectors. The classic droplet collision formulation of the Σ-Y model alone does not replicate the response of the measured spray surface area to changes in injector, ambient pressure, and injection pressure, requiring individual tuning of the model's parameters. Instead, a transition between dense and dilute spray breakup mechanisms is proposed in terms of the average droplet spacing. The collision breakup mechanism represents the dilute spray, whereas the droplet size in the dense spray is driven by a competition between the integral scale of turbulence and the balance between the turbulent kinetic energy and the surface energy of the droplets. Such an approach minimizes the requirements for model tuning. Moreover, the role of the constants of a compressible standard k-ε RANS model is assessed in the injector's internal flow and external spray simulation framework, and an updated set is proposed. The results are validated against x-ray radiography and Ultra-Small Angle X-ray Scattering (USAXS) data and highlight the predictive capabilities of the proposed physics-driven Σ-Y model, which is compatible with engine simulation turnaround times.

42 ENGINEERING↗

DOE OSTI2024

Adaptive laboratory evolution and genetic engineering improved terephthalate utilization in Pseudomonas putida KT2440

Poly(ethylene terephthalate) (PET) is one of the most ubiquitous plastics and can be depolymerized through biological and chemo-catalytic routes to its constituent monomers, terephthalic acid (TPA) and ethylene glycol (EG). TPA and EG can be re-synthesized into PET for closed-loop recycling or microbially converted into higher-value products for open-loop recycling. Here, in this study, we expand on our previous efforts engineering and applying Pseudomonas putida KT2440 for PET conversion by employing adaptive laboratory evolution (ALE) to improve TPA catabolism. Three P. putida strains with varying degrees of metabolic engineering for EG catabolism underwent an automation-enabled ALE campaign on TPA, a TPA and EG mixture, and glucose as a control. ALE increased the growth rate on TPA and TPA-EG mixtures by 4.1- and 3.5-fold, respectively, in approximately 350 generations. Evolved isolates were collected at the midpoints and endpoints of 39 independent ALE experiments, and growth rates were increased by 0.15 and 0.20 h -1 on TPA and a TPA-EG, respectively, in the best performing isolates. Whole-genome re-sequencing identified multiple converged mutations, including loss-of-function mutations to global regulators gacS, gacA, and turA along with large duplication and intergenic deletion events that impacted the heterologously-expressed tphAB II catabolic genes. Reverse engineering of these targets confirmed causality, and a strain with all three regulators deleted and second copies of tphAB II and tpaK displayed improved TPA utilization compared to the base strain. Taken together, an iterative strain engineering process involving heterologous pathway engineering, ALE, whole genome sequencing, and genome editing identified five genetic interventions that improve P. putida growth on TPA, aimed at developing enhanced whole-cell biocatalysts for PET upcycling.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Using Ionic Liquid Additive to Enhance Lubricating Performance for Low-Viscosity Engine Oil

Energy efficient lubricants are essential for sustainable transportation, and the trend is to develop and implement lower viscosity lubricants with more effective additives. Ionic liquids (ILs) have been reported as candidate additives with superior friction and wear reducing capabilities. Unlike most literature relying on bench-scale testing of simple oil–IL blends, this study produced low-viscosity (SAE 0W-12) fully formulated engine oils using a phosphonium-organophosphate IL as an antiwear additive and evaluated them in both bench-scale tribological testing and full-scale fired engine dynamometer testing. The experimental formulation containing a combination of ZDDP and IL outperformed the formulations using either ZDDP or IL alone, as well as a commercial SAE 0W-20 engine oil in terms of mitigating boundary friction, wear, and contact fatigue-induced micropitting. Furthermore, racing engine dynamometer tests demonstrated 3–4 °C lower oil temperature, 4–5 ft-lbs higher horsepower output, and up to 9.9% better fuel economy for the IL-containing SAE 0W-12 experimental oil compared with selected commercial SAE 5W-30 and 0W-20 engine oils.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

MARVEL Reactor Digital Engineering Developments

The MARVEL reactor project has served to introduce a new generation of engineers to the processes required to transform a reactor design from simply an idea on paper into what will be an approved, constructed, and operational nuclear power system. Much as there have been advances in materials, analysis, and evaluation methodologies over the 50 years since the last reactor was built at INL, so too has the technology for managing the engineering process itself advanced. Digital Engineering tools and methods provide improved coordination between previously siloed engineering disciplines, reduced burdens of non-value-added data transcription processes and bring forward insights and improvements that might otherwise fall later in the design stage, where changes are much more costly. While the tools and techniques to support the full digital engineering vision are not yet complete, the MARVEL design processes provide valuable demonstrations and validations of key aspects and illuminate further areas for implementation by subsequent projects.

21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLAN↗

DOE OSTI2021

Assessment of Turbulent Combustion Models for Simulating Prechamber Ignition in a Natural Gas Engine

Lean combustion is a promising strategy to increase thermal efficiency in an internal combustion engine, by exploiting a favorable specific heat ratio of the fresh mixture while simultaneously suppressing the heat losses to the cylinder wall. However, unstable ignition and slow flame propagation at fuel-lean conditions lead to large cycle-to-cycle variability and limit the high-efficiency engine operating range. Prechamber ignition is considered an effective concept to extend the lean operating limit, by providing spatially distributed ignition with multiple turbulent flame-jets and enabling a faster combustion rate compared to the conventional spark ignition approach. From a numerical modeling standpoint to date science base and available simulation tools are inadequate to properly understand and predict the combustion processes in prechamber ignited engines. In this paper, conceptually different Reynolds-averaged Navier–Stokes (RANS) combustion models widely adopted in the engine modeling community are used to simulate the ignition and combustion processes in a medium-duty natural gas engine with a prechamber spark-ignition system. Here, a flamelet-based turbulent combustion model, i.e., G-equation, and a multizone well-stirred reactor model are employed for this modeling study. Simulation results are compared with experimental data in terms of in-cylinder pressure and heat release rate. Finally, the analysis of the performance of the two models is carried out to highlight the strengths and limitations of the two evaluated approaches.

42 ENGINEERING↗

DOE OSTI2022

FOULING MITIGATION FOR LASER IGNITERS IN NATURAL GAS ENGINES

Due to several recent developments in lasers and optics, laser igniters can now be designed to be (i) compact so as to have the same footprint as a standard spark plug, (ii) have low power draw, usually less than 50 Watts, and (iii) have vibration and temperature resistance at levels typical of reciprocating engines. Primary advantages of these laser igniters remain (i) extension of lean or dilution limits for ignition of combustible mixtures, and (ii) improved ignition at higher pressures. Recently, tests performed in a 350 kW six-cylinder stationary natural gas reciprocating engine retrofitted with these igniters showed an extension of the operational envelope to yield efficiency improvements of the order of 2.6% points while being compliant with the mandated emission regulations. Even though laser igniters offer promise, fouling of the final optical element that introduces the laser into the combustion chamber is of concern. After performing a thorough literature search, a test plan was devised to evaluate various fouling mitigation strategies. The final approach that was used is a combination of three strategies and helped sustain an optical transmissivity exceeding 98% even after 1500 h of continuous engine operation at 2400 rpm. Based on the observed trend in transmissivity, it now appears that laser igniters can last up to 6000 h of continuous engine operation in a stationary engine running at 1800 rpm.

spark ignited engines, laser ignition, natural gas↗

DOE OSTI2024

The Digital Engineering Vision for DOME: Facilitating Design, Deployment, and Operations [Poster]

DOME is a planned microreactor test facility at INL’s Materials and Fuels Complex. It is a complex system with several interdependent sub-systems such as the reactor (up to 20 MWth), radioactive confinement, temperature and pressure regulation system, ventilation system, etc. The engineering design process for such a system traditionally involves several documents from various sources and the system information is scattered across these documents. Digital engineering represents a paradigm shift through which systems are designed using digital models and integrated data. The digital engineering vision for DOME utilizes a model-based systems engineering (MBSE) approach. The system architecture, physical components, control logic, and verification experiments are all designed using MathWorks MATLAB and Simulink. This hierarchical model can combine data from multiple sources at various levels of abstraction. It can be used to simulate the facility’s operations and to test the system using different sets of parameters. Its capabilities can be expanded by interfacing it with high-fidelity multi-physics models, risk analysis tools, etc. The same model can evolve into a digital twin that can monitor operations and conduct predictive analysis using real-time sensor data from the facility. The eventual goal of this effort is to transform the end-to-end engineering of nuclear facilities in every phase of their lifecycle, including design, deployment, and operations.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

NASA NTRS2005

The systems engineering upgrade intiative at NASA's Jet Propulsion Laboratory

JPL is implementing an initiative to significantly upgrade our systems engineering capabilities. This Systems Engineering Upgrade Initiative [SUI] has been authorized by the highest level technical management body of JPL and is sponsored with internal funds. The SUI objective is to upgrade system engineering at JPL to a level that is world class, professional and efficient compared to the FY04/05 baseline. JPL system engineering, along with the other engineering disciplines, is intended to support optimum designs; controlled and efficient implementations; and high quality, reliable, cost effective products. SUI technical activities are categorized into those dealing with people, process and tools. The purpose of this paper is to describe the rationale, objectives/plans and current status of the JPL SUI.

Systems Engineering Upgrade Initiative (SUI)↗

NASA NTRS2017

Preliminary Evaluation of Altitude Scaling for Turbofan Engine Ice Crystal Icing

Preliminary evaluation of altitude scaling for turbofan engine ice crystal icing simulation was conducted during the 2015 LF11 engine icing test campaign in PSL.The results showed that a simplified approach for altitude scaling to simulate the key reference engine ice growth feature and associated icing effects to the engine is possible. But special considerations are needed to address the facility operation limitation for lower altitude engine icing simulation.

altitude scaling↗

NASA NTRS2017

Preliminary Evaluation of Altitude Scaling for Turbofan Engine Ice Crystal Icing

engine ice crystal icing↗

DOE OSTI2024

On the Application of Cyber-Informed Engineering (CIE)

The 2023 National Cybersecurity Strategy has recommended a transition to secure-by-design methodologies in critical infrastructure. This paper presents the adoption of the National Cyber-Informed Engineering (CIE) Strategy as initiated by the U.S. DOE’s CESER office, advocating for the integration of cybersecurity at the earliest stages of system design. The strategy targets design engineers responsible for energy infrastructure to embed CIE principles within the engineering lifecycle, thus enhancing cyber resilience. This paper discusses the expansion of secure-by-design concepts to cyber-physical systems, moving beyond traditional IT security to include engineering considerations that can mitigate cyber risks through design choices. The paper introduces Digital Risk Management, balancing traditional cybersecurity with CIE to reduce both likelihood and impact of cyber threats. A set of CIE starter questions derived from 12 core principles is detailed, aiding engineers to consider cybersecurity in their designs and highlights the importance of CIE in anticipating and reducing the impacts of cyber attacks, suggesting that such integration is essential for national security and infrastructure resilience.

42 ENGINEERING↗

DOE OSTI2024

Opportunities and Challenges for Machine Learning-Assisted Enzyme Engineering

Enzymes can be engineered at the level of their amino acid sequences to optimize key properties such as expression, stability, substrate range, and catalytic efficiency or even to unlock new catalytic activities not found in nature. Because the search space of possible proteins is vast, enzyme engineering usually involves discovering an enzyme starting point that has some level of the desired activity followed by directed evolution to improve its “fitness” for a desired application. Recently, machine learning (ML) has emerged as a powerful tool to complement this empirical process. ML models can contribute to (1) starting point discovery by functional annotation of known protein sequences or generating novel protein sequences with desired functions and (2) navigating protein fitness landscapes for fitness optimization by learning mappings between protein sequences and their associated fitness values. In this Outlook, we explain how ML complements enzyme engineering and discuss its future potential to unlock improved engineering outcomes.

60 APPLIED LIFE SCIENCES↗

NASA NTRSDate not supplied

Exploration of the Versatile Electrically Augmented Turbine Engine Gearbox Concept

Integration of electric machines with the shafts of gas turbine engines is implied in various electrified aircraft propulsion concepts. This includes implementation of the Turbine Electrified Energy Management (TEEM) concept, a motivator for the Versatile Electrically Augmented Turbine Engine (VEATE) gearbox. The VEATE gearbox is a mechanical power transmission concept that seeks to interface electric machines with a gas turbine engine in a synergistic manner. It enables a hybrid electro-mechanical approach for managing power in a gas turbine engine. It is hypothesized that the mechanical design of the VEATE gearbox could be leveraged to enhance the versatility of the present electrical hardware. The VEATE gearbox concept is first introduced and applied to an electrified two-spool advanced geared turbofan meant for powering a single-aisle commercial aircraft. A modeling approach for the gearbox is presented and studies are conducted to investigate the potential application to TEEM and power extraction. There is evidence that the VEATE gearbox could help to reduce the size of the TEEM power system, provide flexibility in power extraction implementation, and exhibit fail-safe design attributes.

Electrified Aircraft Propulsion↗

DOE OSTI2017

Cyber-Informed Engineering

A continuing challenge for engineers who utilize digital systems is to understand the impact of cyber-attacks across the entire product and program lifecycle. This is a challenge due to the evolving nature of cyber threats that may impact the design, development, deployment, and operational phases of all systems. Cyber Informed Engineering is the process by which engineers are made aware of both how to use their engineering knowledge to positively impact the cyber security in the processes by which they architect and design components and the services and security of the components themselves.

42 ENGINEERING↗

DOE OSTI2023

Using Cyber-Informed Engineering for Cyber Defense Workbook

This workbook was prepared for a detailed workshop in Cyber-Informed Engineering. It is designed to provide an audience of electrical cooperative engineering staff with an opportunity to practice leveraging the principles of Cyber-Informed Engineering for a hypothetical system upgrade. This workbook contains material describing the fictional project, information about Cyber-Informed Engineering, hands-on exercises, and a copy of the slides presented during the workshop. It can stand alone as a CIE resource.

42 ENGINEERING↗

DOE OSTI2024

Cyber-Enabled Sabotage, Critical Function Assurance, and Cyber-Informed Engineering

Cyber-enabled Sabotage, Critical Function Assurance, and Cyber-Informed Engineering: This discussion will introduce the idea of cyber-enabled sabotage, and the role engineering plays in the cyber defense of critical functions with a focus on electric power systems. It will outline how and why engineering practice must be used to apply cybersecurity principles to establish safe and reliable operations even in the face of determined and skilled adversaries, and give an overview of INL’s Consequence-Driven Cyber-Informed Engineering methodology to apply these principles. There will be an opportunity for audience questions and answers at the end of the session.

42 ENGINEERING↗