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DOE OSTI2018

Development of Non Destructive Assay Approach for Characterization of Spent Fuel Debris at Fukushima - 18543

Fukushima is considering options for decommissioning the damaged reactor. One of the technical challenges is the accurate characterization of fissile isotopes in the spent fuel debris. This is due to the fissile content, high gamma and neutron emission and uncertainties regarding the fuel burnup and unknown, heterogeneous mixture of materials that may be present. These requirements lead to significant challenges for potential measurement approaches with regard to the requirements for shielding and remote operation that result from plant and operational constraints. Mirion Technologies (MTKK) has been working to perform feasibility and concept design studies for a non-destructive assay (NDA) system that could be used to characterize the fissile content of retrieved samples of fuel debris. The main advantage of using an NDA technique is that the entire volume of the sample is interrogated so the method is not reliant upon assumptions of representativeness of samples retrieved and sent for laboratory analysis. The proposed technique comprises a combination of gamma spectroscopy and combined passive / active neutron interrogation with advanced data analysis algorithms in order to determine the maximum available data on the spent fuel properties and obtain a full radionuclide characterization of each sample. This includes quantification of individual fissile nuclides with validated uncertainties. In this paper we describe the NDA techniques and systems that are proposed, their benefits and limitations, and how they may be implemented into a full-scale system for fuel element debris characterization. We describe the studies that were performed based on experience of real systems and research supplemented with extensive computer modelling work to represent the expected fuel element debris properties. The work benefits from Mirion's extensive global physics and engineering expertise in designing, supplying and operating a wide range of NDA systems for diverse applications and in different challenging physical and operational environments. We describe how the advanced and innovative physics techniques that have resulted from Mirion's collective experience in these areas, can be deployed in an NDA system. The final approach that has been developed provides a means for determining the masses of the individual fissile isotopes with robust uncertainties and capable of implementation into an NDA system that meets the expected requirements for an operational plant. We focus on the techniques that have been developed and describe how they are of wider relevance and interest for projects that include challenges for characterisation of fuel residues. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2012

Structural, kinetic, and thermodynamic studies of specificity designed HIV-1 protease

HIV-1 protease recognizes and cleaves more than 12 different substrates leading to viral maturation. While these substrates share no conserved motif, they are specifically selected for and cleaved by protease during viral life cycle. Drug resistant mutations evolve within the protease that compromise inhibitor binding but allow the continued recognition of all these substrates. While the substrate envelope defines a general shape for substrate recognition, successfully predicting the determinants of substrate binding specificity would provide additional insights into the mechanism of altered molecular recognition in resistant proteases. We designed a variant of HIV protease with altered specificity using positive computational design methods and validated the design using X-ray crystallography and enzyme biochemistry. The engineered variant, Pr3 (A28S/D30F/G48R), was designed to preferentially bind to one out of three of HIV protease's natural substrates; RT-RH over p2-NC and CA-p2. In kinetic assays, RT-RH binding specificity for Pr3 increased threefold compared to the wild-type (WT), which was further confirmed by isothermal titration calorimetry. Crystal structures of WT protease and the designed variant in complex with RT-RH, CA-p2, and p2-NC were determined. Structural analysis of the designed complexes revealed that one of the engineered substitutions (G48R) potentially stabilized heterogeneous flap conformations, thereby facilitating alternate modes of substrate binding. Our results demonstrate that while substrate specificity could be engineered in HIV protease, the structural pliability of protease restricted the propagation of interactions as predicted. These results offer new insights into the plasticity and structural determinants of substrate binding specificity of the HIV-1 protease.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2015

Are X-rays the key to integrated computational materials engineering?

The ultimate dream of materials science is to predict materials behavior from composition and processing history. Owing to the growing power of computers, this long-time dream has recently found expression through worldwide excitement in a number of computation-based thrusts: integrated computational materials engineering, materials by design, computational materials design, three-dimensional materials physics and mesoscale physics. However, real materials have important crystallographic structures at multiple length scales, which evolve during processing and in service. Moreover, real materials properties can depend on the extreme tails in their structural and chemical distributions. This makes it critical to map structural distributions with sufficient resolution to resolve small structures and with sufficient statistics to capture the tails of distributions. For two-dimensional materials, there are high-resolution nondestructive probes of surface and near-surface structures with atomic or near-atomic resolution that can provide detailed structural, chemical and functional distributions over important length scales. Furthermore, there are no nondestructive three-dimensional probes with atomic resolution over the multiple length scales needed to understand most materials.

36 MATERIALS SCIENCE↗

DOE OSTI2016

Evaluation of Bentonite Engineered Barrier Performance under Repository Conditions

Nuclear energy has been an important source of power throughout the world for several decades, but with that power comes substantial amounts of waste. The USA alone is projected to produce 77,100 MTHM (34,700 MCi) of commercial spent fuel by the year 2020. There has been a growing sense of urgency to determine a method of disposal for all types of nuclear waste. Underground storage has been proposed as the safest means of long term storage and disposal by both the Academy of Sciences and the Blue Ribbon Commission with a focus on deep geologic disposal. Because deep geological repositories (DGR) pose as the safest method of disposal due to the isolation of the waste and the low-permeability of the surrounding material, it is crucial to understand the science behind these repositories. Many scientists have concern with DGRs because of all the unanswered scientific questions. With a global inventory of 300,000 MTHM, it is imperative to understand how DGRs will retain the nuclear waste over a time span of up to a projected 1 million years. Because of the amount of nuclear waste increases each year, there is an inherent need to study the viability of a repository in order to begin implementation of that repository. Based on the half-lives of each radionuclide in nuclear waste, after approximately 100 years of storage, the heat production from the decay of radionuclides becomes dominated by the long-lived actinides. Because the decay of the nuclear waste results in an elevated temperature within the canister, That mixed with water intrusion can corrode the canister and allow radionuclides to leach into the surrounding environment. In an effort to retain these radionuclides within the repositories, most all deep geologic repository designs incorporate an engineered multi-barrier approach. Once the radionuclides begin to leach out of the canisters, the next barrier to retain them is a layer of compacted clay such as a smectite. A mechanistic understanding of mobility at elevated temperatures is crucial in order to evaluate the performance of the engineered clay barrier system within a deep geological repository. Because the clay barrier is compacted so tightly, the only method of mobility for radionuclides is through molecular diffusion. Assessing the factors that affect the rates at which various radionuclides will diffuse through these clays is important in the performance assessment of the repository system as a whole. Neptunium-237 has been identified as a major actinide of concern for long term storage, dominating the radioactivity emitted from the waste between 10,000 to 100,000 years of storage. Under oxidizing conditions, this radionuclide exists mainly as Np(V). In this oxidation state, the neptunium exists chemically as the NpO{sub 2}{sup +} ion which exhibits enhanced mobility characteristics such as high solubility and low affinity for sorption to surfaces. Because of this, {sup 237}Np(V) has been identified as the most mobile radionuclide in nuclear waste and thus a major radionuclide of concern, motivating research into the mobility of {sup 237}Np(V) through the compacted clay barrier. Bentonite is one of the most common backfill materials used in repositories. This clayey rock's main constituent is the mineral Na-montmorillonite [(Ca{sub 0.06}Na{sub 0.14}K{sub 0.05})(Al{sub 1.57}Fe{sup 3+} {sub 0.17}Mg{sub 0.25})(Al{sub 0.04}Si{sub 3.96}O{sub 10} - (OH){sub 2})] which gives this material the advantageous properties required for a repository such as a high swelling capacity. Because of this high affinity for absorbing water, montmorillonite is the ideal candidate for backfill material in a deep geological repository. Adsorption of radionuclides onto the surface of the compacted clay is a major mechanism for retardation of mobility. Because diffusion and adsorption are integrated into this process, it is important to characterize Np adsorption onto the surface of compacted montmorillonite. Previous studies have quantified the adsorption of Np onto montmorillonite at variable ionic strengths and temperatures. Furthermore, several studies have focused on the diffusion of Np through compacted clay, but no other studies have determined diffusion coefficients at elevated temperatures of up to 80 deg. C. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2019

Co-Optimization of Fuels & Engines: Scientific Innovation for Efficient, Clean, and Affordable Transportation

While vehicles are becoming more efficient, the properties of conventional fuels continue to limit the performance of internal combustion engines in most cars and trucks currently on U.S. roads. The Department of Energy (DOE) Co-Optimization of Fuels & Engines (Co-Optima) initiative is bringing together top scientists, engineers, and analysts from nine national laboratories with more than 20 university and industry partners across the country to investigate fuels and engines as dynamic design variables that can work together to boost efficiency and performance, while minimizing emissions. Applications include the entire on-road fleet, from light-duty (LD) passenger cars to heavy-duty (HD) freight trucks. The objective scientific outcomes of this initiative will provide American industry and policymakers with the knowledge, data, and tools needed to decide which changes could prove most viable and beneficial for drivers, businesses, and the environment. Potential benefits include dramatic improvements in vehicle fuel economy and increases in the use of domestically sourced fuel for transportation, in turn creating new U.S. jobs and keeping energy dollars in the United States, while reducing emissions and costs for consumers and commercial operators at the pump.

09 BIOMASS FUELS↗

DOE OSTI2019

CFD-Guided Combustion System Optimization of a Gasoline Range Fuel in a Heavy-Duty Compression Ignition Engine Using Automatic Piston Geometry Generation and a Supercomputer

A computational fluid dynamics (CFD) guided combustion system optimization was conducted for a heavy-duty diesel engine running with a gasoline fuel that has a research octane number (RON) of 80. The goal was to optimize the gasoline compression ignition (GCI) combustion recipe (piston bowl geometry, injector spray pattern, in-cylinder swirl motion, and thermal boundary conditions) for improved fuel efficiency while maintaining engine-out NO x within a 1-1.5 g/kW-hr window. The numerical model was developed using the multi-dimensional CFD software CONVERGE. A two-stage design of experiments (DoE) approach was employed with the first stage focusing on the piston bowl shape optimization and the second addressing refinement of the combustion recipe. For optimizing the piston bowl geometry, a software tool, CAESES, was utilized to automatically perturb key bowl design parameters. This led to the generation of 256 combustion chamber designs evaluated at several engine operating conditions. The second DoE campaign was conducted to optimize injector spray patterns, fuel injection strategies and in-cylinder swirl motion for the best performing piston bowl designs from the first DoE campaign. This comprehensive optimization study was performed on a supercomputer, Mira, to accelerate the development of an optimized fuel-efficiency focused design. Compared to the production combustion system in the baseline engine, the new combustion recipe from this study showed significantly improved closed-cycle fuel efficiency across key engine operating points while meeting the engine-out NO x targets. Optimized piston bowl designs and injector spray patterns were predicted to provide enhanced in-cylinder air utilization and more rapid mixing-controlled combustion, thereby leading to a fuel efficiency improvement. In addition, shifting the engine thermal boundary conditions toward leaner operation was also key to the improved fuel efficiency.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2025

Applying a Compact Porous Media Model to Numerically Derive Resistance Coefficients for Lattice Structures

Additive Manufacturing allows for exploring various geometries to achieve specific engineering criteria. Lattices are one geometry with unique properties, including being periodically repeating structures which allow flow through them to be represented as a porous media according to Darcy-Forchheimer equations. These equation’s coefficients are generally experimentally derived, but this work demonstrates the ability to numerically derive them with CFD. Simulations were performed using three-dimensional stead state Reynolds-averaged Navier-Stokes with a k-ω Shear Stress Transport turbulence model using Ansys Fluent. Three lattice geometries were investigated and drag coefficients were derived. The method was validated against externally published data for similar geometries demonstrating strong agreement, and grid convergence for all simulations was calculated with a Grid Convergence Index method. Wall roughness is demonstrated to have a non-negligible impact on results and roughness values are considered for the primary focus Octahedral geometry where both smooth wall and rough wall coefficients were derived. The porosity coefficients for the Octahedral geometry at 1.0 [m/s] were found to be 2.89×10 6 and 2.90×10 6 [1/(Pa*m*s)] for the permeability coefficients, 6.37×10 1 and 5.44×10 1 [m 2 /kg] for the inertial resistance coefficients, and with a max pressure drop of 5116.7 [Pa] and 4429.5 [Pa] for the smooth walls and rough walls, respectively. The derived numerical method enables rapid exploration and optimization of new lattice designs for diverse engineering applications.

42 ENGINEERING↗

DOE OSTI2025

Cracking in polymer substrates for flexible electronic devices and its mitigation

Mechanical reliability plays a critical role in determining the durability of flexible electronic devices because of the significant mechanical stresses they experience during manufacturing and operation. Many such devices are built on sheets comprising stiff transparent-conducting oxide (TCO) electrode films on compliant polymer substrates, and it is generally assumed that the high-toughness polymer substrates do not crack. Contrary to this assumption, here we show extensive cracking in the polymer substrates during bending of a variety of TCO/polymer sheets, and a device example — flexible perovskite solar cells. Such substrate cracking, which compromises the overall mechanical integrity of the entire device, is driven by the amplified stress-intensity factor caused by the elastic mismatch at the film/substrate interface. To mitigate this substrate cracking, an interlayer-engineering approach is designed and experimentally demonstrated. This approach is potentially applicable to myriad flexible electronic devices, with stiff films on compliant substrates, for improving their durability and reliability.

42 ENGINEERING↗

DOE OSTI2017

Remediation of the FGMSP at Sellafield: The First Transfer of Bulk Sludge - 17133

The very first bulk transfers of radioactive sludge have commenced from one of the most hazardous nuclear plants in Europe, using equipment and systems researched, designed, installed and commissioned by Jacobs as part of the ACKtiv alliance. Sellafield is a nuclear fuel reprocessing and decommissioning site, close to the village of Seascale on the coast of the Irish Sea in Cumbria, England. Sellafield incorporates the original nuclear reactor site at Windscale, which is currently undergoing decommissioning, and dismantling, and Calder Hall, the world's first nuclear power generating reactor. The first nuclear facilities were built in the 1940's.The First Generation Magnox Storage Pond (FGMSP) dates back to the 1950's as part of the UK's expanding nuclear programme and was constructed to store, cool and prepare used Magnox nuclear fuel for recycling into new fuel. It urgently needs to be emptied of 1500 cubic metres of radioactive sludge. In this paper we describe the work undertaken by Jacobs to deliver a very challenging programme of work to provide the capability to remove sludge from the pond. The FGMSP Retrievals Project was awarded in March 2007 to supply equipment and services for the removal of sludge and miscellaneous waste from the First Generation Magnox Storage Pond at Sellafield. The Project is being executed by ACKtiv Nuclear (Jacobs, Carillion and Atkins) of which Jacobs is a 40% stakeholder. ACKtiv Nuclear is a mature Joint Venture and has been operating continuously and successfully since 2002, the oldest JV still in operation on Sellafield Site. The roots of the JV can be traced back to the 1980's. The Project covers all project phases from front-end engineering through detailed design, procurement, installation and commissioning support. The Project places huge emphasis on off-Site testing and has several facilities for both installation and integrated testing. This proves equipment prior to installation in a radioactive environment. The Project has achieved success and recognition including winning the 2014 and 2015 Sellafield Business Excellence awards, as well as numerous internal Jacobs awards. The Project achieved a major decommissioning milestone in March 2016. Since the installation of a 31 m pipe-bridge in 2012, using a 1200 te mobile crane surrounded by several other facilities with nuclear inventory, the Project has successfully installed the sludge retrieval and effluent system into the FGMSP. This 4 year programme of work included 2 booster pump platforms, sludge recovery tooling, hoses, umbilicals and a deluge skip wash box which were all trialled and proven off-Site prior to installation in the pond. This milestone to commence transfer of sludge to modern stainless steel containment is a major step forward in the hazard reduction of the facility.The presentation will cover the installation of the pond de-sludging equipment, the innovations deployed that ensured that the milestone was achieved under budget and ahead of schedule, as well the benefits to the facility, the Site and the nuclear industry. It will also examine the challenges that needed to be overcome such as high dose, contamination, limited working times and space constraints. The presentation will describe why the work is of national Importance and conclude with the achievement of commencement of bulk sludge transfer to a modern facility. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2015

Bottom Fixed Platform Dynamics Models Assessing Surface Ice Interactions for Transitional Depth Structures in the Great Lakes: FAST8 – IceDyn

To create long-term solutions for offshore wind turbines in a variety of environmental conditions, CAE tools are needed to model the design-driving loads that interact with an offshore wind turbine system during operation. This report describes our efforts in augmenting existing CAE tools used for offshore wind turbine analysis with a new module that can provide simulation capabilities for ice loading on the system. This augmentation was accomplished by creating an ice-loading module coupled to FAST8, the CAE tool maintained by the NREL for simulating land-based and offshore wind turbine dynamics. The new module includes both static and dynamic ice loading that can be applied during a dynamic simulation of the response of an offshore wind turbine. The ice forces can be prescribed, or influenced by the structure’s compliant response, or by the dynamics of both the structure and the ice floe. The new module covers ice failure modes of spalling, buckling, crushing, splitting, and bending. The supporting structure of wind turbines can be modeled as a vertical or sloping form at the waterline. The Inward Battered Guide Structure (IBGS) foundation designed by Keystone Engineering for the Great Lakes was used to study the ice models coupled to FAST8. The IBGS foundation ice loading simulations in FAST8 were compared to the baseline simulation case without ice loading. The ice conditions reflecting those from Lake Huron at Port Huron and Lake Michigan at North Manitou were studied under near rated wind speed of 12 m/s for the NREL 5-MW reference turbine. Simulations were performed on ice loading models 1 through 4 and ice model 6 with their respective sub-models. The purpose of ice model 5 is to investigate ice loading on sloping structures such as ice-cones on a monopile and is not suitable for multi-membered jacketed structures like the IBGS foundation. The key response parameters from the simulations, shear forces and moments from the tower base and IBGS foundation base, were compared. Ice models 1 and 6 do not significantly affect the tower fore-aft shear and moment. However, ice model 2 (dynamic analyses), model 3 (random ice loading), and model 4 (multiple ice failure zone loading) show increased effect on the tower fore-aft shear and moment with significant effect from ice model 3.1. In general ice loading creates large reaction forces and moments at the base of the IBGS foundation; the largest occurred in model 1.1 (steady creep ice indentation loading) followed by model 3.1 (random creep ice indentation loading). In general the power production from the ice loading cases had little deviation from the baseline case without ice loading. For ultimate limit state (ULS), ice model 1.1 ice and 3.1 appear to be the ice most critical models to consider at an early stage of design. Ice model 4 is an important tool for assessing structural fatigue.

17 WIND ENERGY↗

DOE OSTI2024

Complex-valued universal linear transformations and image encryption using spatially incoherent diffractive networks

As an optical processor, a diffractive deep neural network (D2NN) utilizes engineered diffractive surfaces designed through machine learning to perform all-optical information processing, completing its tasks at the speed of light propagation through thin optical layers. With sufficient degrees of freedom, D2NNs can perform arbitrary complex-valued linear transformations using spatially coherent light. Similarly, D2NNs can also perform arbitrary linear intensity transformations with spatially incoherent illumination; however, under spatially incoherent light, these transformations are nonnegative, acting on diffraction-limited optical intensity patterns at the input field of view. Here, we expand the use of spatially incoherent D2NNs to complex-valued information processing for executing arbitrary complex-valued linear transformations using spatially incoherent light. Through simulations, we show that as the number of optimized diffractive features increases beyond a threshold dictated by the multiplication of the input and output space-bandwidth products, a spatially incoherent diffractive visual processor can approximate any complex-valued linear transformation and be used for all-optical image encryption using incoherent illumination. The findings are important for the all-optical processing of information under natural light using various forms of diffractive surface-based optical processors.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Digital Twin Model for Advanced Manufacture of a Rotating Detonation Engine Injector

A digital twin material model (DTMM) of an additive manufacturing (AM) process was created to advance the state of the art in rotating detonation engine (RDE) injector design. Current RDE injectors are designed with large pressure drops, enabling a stable and repeatable combustion process. However, this comes at the cost of system efficiency. For the technology to transition to commercial fossil-based power generation, it is important to develop injectors with reduced flow losses. Low-loss injectors are difficult to design and manufacture with conventional manufacturing techniques. AM enables new design options, but the AM manufacturing process must be thoroughly understood to result in a robust design. A DTMM provides the necessary insight by defining the cause-effect relationships between process parameters, microstructure features, and properties. Therefore, a DTMM to support the design and manufacturing process was developed and applied to the design of a new additively manufactured low-loss injector. The injector combustion behavior was characterized through hot-fire tests, and mechanical performance was compared to the DTMM predictions. The two project goals were the successful development of the DTMM and the demonstration of an improved RDE injector design. The RDE injector design and DTMM developments occurred on parallel but dependent paths. The injector was designed to reduce pressure drop by increasing the cross-sectional flow area ratio between the injector air passages and the combustor annulus. This resulted in less structural material, raising the concern that thin members would be susceptible to high-cycle fatigue (HCF) under the periodic loading inherent to an RDE. It was most important for the DTMM to predict behavior in these features; therefore, the injector design concept guided the material thicknesses used in fatigue tests. The DTMM development started by manufacturing a series of coupons over the range of possible AM process variations. A design-of-experiment approach was used to select which process variable combinations gave the most efficient coverage relevant to the injector design space. The microstructure in each of these coupons was characterized, and then computational methods were used to create a numerical model of the correlation between process variables and microstructure. Next, a set of HCF samples were tested to calibrate existing models that map microstructure to HCF performance. Together, these two links formed the DTMM that calculates HCF behavior from AM process variables. Two injector prototypes were additively manufactured. The first injector design strategy aggressively pursued low-loss performance by substantially increasing the oxidizer flow area. The combination of manufacturing lead times and the fatigue testing schedule meant that the DTMM was not available when building this first prototype. Therefore, its process parameters were chosen based on a manual review of the available coupon data. This prototype was built successfully and evaluated in 58 combustion tests. Sustained detonation was achieved with remarkably reduced pressure loss, and some tests even displayed pressure loss characteristics similar to conventional gas turbine combustors. This achieved the project goal of improving RDE injector design. The second injector was manufactured according to the optimized parameters predicted by the DTMM. The flow area modifications of this injector were less aggressive than the first injector since demonstrating low pressure loss was not an objective of the second hot-fire test series. Rather, the test objective was to cause high cycle fatigue failure in the part due to periodic loading from the rotating detonation wave. The observed number of cycles to failure was to be compared to the number predicted by the DTMM and thereby assess the utility of the DTMM in component design. However, the required level of vibration was not obtained during combustion. Therefore, high cycle fatigue was not experienced in the hot-fire tests of the second injector. Fatigue data was obtained by further testing the second injector in a conventional HCF test apparatus. The injector demonstrated HCF strength above the DTMM prediction. In fact, it did not fail and testing was only discontinued due to reaching the end of the period of performance. This points to some success in the project’s primary goal of successfully developing and applying the DTMM to a component design. Implementing the DTMM recommendations for optimal processing parameters led to a part with acceptable properties. The DTMM was also shown to be an efficient correlator of data and to provide insight into the relationship between process settings, microstructure, and property performance. However, the failure of the DTMM prediction to match the experimental result of the injector fatigue test also points to the need to include significantly more data in the model development. In this project, coupons made with identical processing parameters exhibited drastically different properties from each other and from the injector part, which clearly influences the accuracy of a model that predicts performance based on parameters. Uncertainties in the build process must be quantified to develop more robust models. A denser and broader matrix of coupon process and geometry variations, several repeated builds of every point, more in-situ build process measurements, and direct observation of tensile and HCF sample microstructure (as opposed to separate microstructure specimens) are recommendations to improve future AM modeling efforts.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2025

Signal sequences target enzymes and structural proteins to bacterial microcompartments and are critical for microcompartment formation

ABSTRACT Spatial organization of pathway enzymes has emerged as a promising tool to address several challenges in metabolic engineering, such as flux imbalances and off-target product formation. Bacterial microcompartments (MCPs) are a spatial organization strategy used natively by many bacteria to encapsulate metabolic pathways that produce toxic, volatile intermediates. Several recent studies have focused on engineering MCPs to encapsulate heterologous pathways of interest, but how this engineering affects MCP assembly and function is poorly understood. In this study, we investigated the role of signal sequences, short domains that target proteins to the MCP core, in the assembly of 1,2-propanediol utilization (Pdu) MCPs. We characterized two novel Pdu signal sequences on the structural proteins PduM and PduB, which constitute the first report of metabolosome signal sequences on structural proteins rather than enzymes. We then explored the role of enzymatic and structural Pdu signal sequences on MCP assembly by deleting their encoding sequences from the genome alone and in combination. Deleting enzymatic signal sequences decreased the MCP formation, but this defect could be recovered in some cases by overexpressing genes encoding the knocked-out signal sequence fused to a heterologous protein. By contrast, deleting structural signal sequences caused similar defects to knocking out the genes encoding the full-length PduM and PduB proteins. Our results contribute to a growing understanding of how MCPs form and function in bacteria and provide strategies to mitigate assembly disruption when encapsulating heterologous pathways in MCPs. IMPORTANCE Spatially organizing biosynthetic pathway enzymes is a promising strategy to increase pathway throughput and yield. Bacterial microcompartments (MCPs) are proteinaceous organelles that many bacteria natively use as a spatial organization strategy to encapsulate niche metabolic pathways, providing significant metabolic benefits. Encapsulating heterologous pathways of interest in MCPs could confer these benefits to industrially relevant pathways. Here, we investigate the role of signal sequences, short domains that target proteins for encapsulation in MCPs, in the assembly of 1,2-propanediol utilization (Pdu) MCPs. We characterize two novel signal sequences on structural proteins, constituting the first Pdu signal sequences found on structural proteins rather than enzymes, and perform knockout studies to compare the impacts of enzymatic and structural signal sequences on MCP assembly. Our results demonstrate that enzymatic and structural signal sequences play critical but distinct roles in Pdu MCP assembly and provide design rules for engineering MCPs while minimizing disruption to MCP assembly.

Johnson, Elizabeth R. (ORCID:0000000179236881)↗

DOE OSTI2010

Detroit Commuter Hydrogen Project

This project was undertaken to demonstrate the viability of using hydrogen as a fuel in an internal combustion engine vehicle for use as a part of a mass transit system. The advantages of hydrogen as a fuel include renew-ability, minimal environmental impact on air quality and the environment, and potential to reduce dependence on foreign energy sources for the transportation sector. Recognizing the potential for the hydrogen fuel concept, the Southeast Michigan Congress of Governments (SEMCOG) determined to consider it in the study of a proposed regional mass transit rail system for southeast Michigan. SEMCOG wanted to evaluate the feasibility of using hydrogen fueled internal combustion engine (H2ICE) vehicles in shuttle buses to connect the Detroit Metro Airport to a proposed, nearby rail station. Shuttle buses are in current use on the airport for passenger parking and inter-terminal transport. This duty cycle is well suited to the application of hydrogen fuel at this time because of the ability to re-fuel vehicles at a single nearby facility, overcoming the challenge of restricted fuel availability in the undeveloped hydrogen fuel infrastructure. A cooperative agreement between SEMCOG and the DOE was initiated and two H2ICE buses were placed in regular passenger service on March 29, 2009 and operated for six months in regular passenger service. The buses were developed and built by the Ford Motor Company. Wayne County Airport Authority provided the location for the demonstration with the airport transportation contractor, Metro Cars Inc. operating the buses. The buses were built on Ford E450 chassis and incorporated a modified a 6.8L V-10 engine with specially designed supercharger, fuel rails and injectors among other sophisticated control systems. Up to 30 kg of on-board gaseous hydrogen were stored in a modular six tank, 350 bar (5000 psi) system to provide a 150 mile driving range. The bus chassis and body were configured to carry nine passengers with luggage. By collecting fuel use data for the two H2ICE buses, with both written driver logs and onboard telemetry devices, and for two conventional propane-gasoline powered buses in the same service, comparisons of operating efficiency and maintenance requirements were completed. Public opinion about the concept of hydrogen fuel was sampled with a rider survey throughout the demonstration. The demonstration was very effective in adding to the understanding of the application of hydrogen as a transportation fuel. The two 9 passenger H2ICE buses accumulated nearly 50,000 miles and carried 14,285 passengers. Data indicated the H2ICE bus fuel economy to be 9.4 miles/ gallon of gasoline equivalent (m/GGE) compared to the 10 passenger propane-gasoline bus average of 9.8 m/GGE over 32,400 miles. The 23- passenger bus averaged 7.4 m/GGE over 40,700 miles. Rider feedback from 1050 on-board survey cards was overwhelmingly positive with 99.6% indicating they would ride again on a hydrogen powered vehicle. Minimal maintenance was required for theses buses during the demonstration project, but a longer duration demonstration would be required to more adequately assess this aspect of the concept.

08 HYDROGEN↗

DOE OSTI2024

CRISPR Tools for Engineering Prokaryotic Systems: Recent Advances and New Applications

In the past decades, the broad selection of CRISPR-Cas systems has revolutionized biotechnology by enabling multimodal genetic manipulation in diverse organisms. Rooted in a molecular engineering perspective, we recapitulate the different CRISPR components and how they can be designed for specific genetic engineering applications. We first introduce the repertoire of Cas proteins and tethered effectors used to program new biological functions through gene editing and gene regulation. We review current guide RNA (gRNA) design strategies and computational tools and how CRISPR-based genetic circuits can be constructed through regulated gRNA expression. Then, we present recent advances in CRISPR-based biosensing, bioproduction, and biotherapeutics across in vitro and in vivo prokaryotic systems. Finally, we discuss forthcoming applications in prokaryotic CRISPR technology that will transform synthetic biology principles in the near future.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

High Efficiency OLED Light Engine

LED Specialists has accomplished the program objective in designing a high efficiency OLED light engine combining high-performance OLED panels in the 5W-8W range. We achieved our goal by using an Active-Clamp Flyback circuit topology using state-of-the-art electronics. Evaluation testing of our second-generation prototype PC board has demonstrated an efficiency rating of 93% and dimming capability between 100% and 5% of OLED brightness. A reliability analysis of the design shows it to have a predicted Mean Time Between Failures (MTBF) of approximately 1,000,000 hours.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2020

Bichromatic Wave Selection for Validation of the Difference-Frequency Transfer Function for the OC6 Validation Campaign: Preprint

The focus of the Offshore Code Comparison Collaboration, Continuation, with Correlation and unCertainity (OC6) project, which operates under the International Energy Agency (IEA) Wind Task 30, is to refine the accuracy of engineering tools used to design offshore wind turbines. In support of this work, a new validation campaign is being developed that seeks to better understand the nonlinear wave loading that excites floating wind systems at their low-frequency, rigid-body modes in surge and pitch. The validation data will be used in a three-way validation between simplified engineering tools and higher-fidelity tools, such as computational fluid dynamics (CFD). Irregular wave spectrums, which are traditionally used to examine the nonlinear wave interaction with offshore structures, are too computationally expensive to be simulated in CFD tools, and so bichromatic wave cases will be used instead. This paper reviews the process used to choose the bichromatic wave pairs to be used in the campaign to validate the second-order difference-frequency quadratic and potential loads at the surge and pitch natural frequencies of a floating semisubmersible.

17 WIND ENERGY↗

DOE OSTI2013

Advanced Instrumentation for Extreme Environments

The Department of Energy (DOE) Office of Nuclear Energy (NE) is pursuing embedded instrumentation and controls (I&C) technology for next generation nuclear power generation applications. Embedded systems encompass a wide range of configurations and technologies; we define embedding in this instance as the integration of the sensors and the control system design into the component design using a systems engineering process. Embedded I&C systems are often an essential part of developing new capabilities, improving reliability, enhancing performance, and reducing operational costs. The new intrinsically safe, more efficient, and cost effective reactor technologies (Next Generation Nuclear Plant and Small Modular Reactors) require the development and application of new I&C technologies. These new designs raise extreme environmental challenges such as high temperatures (over 700 C) and material compatibility (e.g., molten salts). The desired reliability and functionality requires measurements in these extreme conditions including high radiation environments which were not previously monitored in real time. The DOE/NE Nuclear Energy Enabling Technologies (NEET) program currently has several projects investigating I&C technologies necessary to make these reactor designs realizable. The project described in this paper has the specific goal of investigating embedded I&C with the following objectives: 1.Explore and quantify the potential gains from embedded I&C improved reliability, increased performance, and reduced cost 2.Identify practical control, sensing, and measurement techniques for the extreme environments found in high-temperature reactors 3.Design and fabricate a functional prototype high-temperature cooling pump for molten salts represents target demonstration of improved performance, reliability, and widespread usage There are many engineering challenges in the design of a high-temperature liquid salt cooling pump. The pump and motor are in direct contact with molten fluoride salt at 700 C (1,292 F) as part of a reactor cooling loop. The motor-pump combination during normal operation would be red-hot (Figure 1). This environment challenges every facet of the design including seals, wiring, magnetic materials, and sensors. In this paper, we discuss the challenges of sensor design in extreme environments and specifically the sensor design for a high-temperature fluoride salt coolant pump. This pump will be used as a test-bed for embedded I&C development and validation in extreme environments.

Extreme Environments↗