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Structure prediction of epitaxial inorganic interfaces by lattice and surface matching with Ogre

We present a new version of the Ogre open source Python package with the capability to perform structure prediction of epitaxial inorganic interfaces by lattice and surface matching. In the lattice matching step, a scan over combinations of substrate and film Miller indices is performed to identify the domain-matched interfaces with the lowest mismatch. Subsequently, surface matching is conducted by Bayesian optimization to find the optimal interfacial distance and in-plane registry between the substrate and the film. For the objective function, a geometric score function is proposed based on the overlap and empty space between atomic spheres at the interface. The score function reproduces the results of density functional theory (DFT) at a fraction of the computational cost. The optimized interfaces are pre-ranked using a score function based on the similarity of the atomic environment at the interface to the bulk environment. Final ranking of the top candidate structures is performed with DFT. Ogre streamlines DFT calculations of interface energies and electronic properties by automating the construction of interface models. The application of Ogre is demonstrated for two interfaces of interest for quantum computing and spintronics, Al/InAs and Fe/InSb.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Thermodynamic and Kinetic Modeling of Co-utilization of Glucose and Xylose for 2,3-BDO Production by Zymomonas mobilis

Prior engineering of the ethanologen Zymomonas mobilis has enabled it to metabolize xylose and to produce 2,3-butanediol (2,3-BDO) as a dominant fermentation product. When co-fermenting with xylose, glucose is preferentially utilized, even though xylose metabolism generates ATP more efficiently during 2,3-BDO production on a BDO-mol basis. To gain a deeper understanding of Z. mobilis metabolism, we first estimated the kinetic parameters of the glucose facilitator protein of Z. mobilis by fitting a kinetic uptake model, which shows that the maximum transport capacity of glucose is seven times higher than that of xylose, and glucose is six times more affinitive to the transporter than xylose. With these estimated kinetic parameters, we further compared the thermodynamic driving force and enzyme protein cost of glucose and xylose metabolism. It is found that, although 20% more ATP can be yielded stoichiometrically during xylose utilization, glucose metabolism is thermodynamically more favorable with 6% greater cumulative Gibbs free energy change, more economical with 37% less enzyme cost required at the initial stage and sustains the advantage of the thermodynamic driving force and protein cost through the fermentation process until glucose is exhausted. Glucose-6-phosphate dehydrogenase (g6pdh), glyceraldehyde-3-phosphate dehydrogenase (gapdh) and phosphoglycerate mutase (pgm) are identified as thermodynamic bottlenecks in glucose utilization pathway, as well as two more enzymes of xylose isomerase and ribulose-5-phosphate epimerase in xylose metabolism. Acetolactate synthase is found as potential engineering target for optimized protein cost supporting unit metabolic flux. Pathway analysis was then extended to the core stoichiometric matrix of Z. mobilis metabolism. Growth was simulated by dynamic flux balance analysis and the model was validated showing good agreement with experimental data. Dynamic FBA simulations suggest that a high agitation is preferable to increase 2,3-BDO productivity while a moderate agitation will benefit the 2,3-BDO titer. Taken together, this work provides thermodynamic and kinetic insights of Z. mobilis metabolism on dual substrates, and guidance of bioengineering efforts to increase hydrocarbon fuel production.

23-butanediol↗

Efficient frequency allocation for superconducting quantum processors using improved optimization techniques

Building on previous research on frequency allocation optimization for superconducting circuit quantum processors, this work incorporates several techniques to improve overall solution quality. Here, we introduce constraints and imposed edgewise differences help to improve the optimization results. We also introduce optimization variables for the orientation of each edge, defined as the direction from the control qubit to the target qubit, to be chosen during optimization. To scale up to larger processors, multimodule designs are employed with various boundary conditions, thereby enhancing the collective yield. These enhancements allow for greater flexibility in processor design by eliminating the need for handpicked orientations. We support the efficient assembly of large processors with dense connectivity by choosing the best boundary conditions. Examples demonstrate that, at low computational cost, this optimization approach finds a frequency configuration for a square chip with over 1000 qubits and over 10% yield at much larger dispersion levels than required by previous approaches.

Zhang, Zewen [Argonne National Laboratory (ANL), A↗

Process Cost Modeling for Multi-Disciplinary Design Optimization

For early design concepts, the conventional approach to cost is normally some kind of parametric weight-based cost model. There is now ample evidence that this approach can be misleading and inaccurate. By the nature of its development, a parametric cost model requires historical data and is valid only if the new design is analogous to those for which the model was derived. Advanced aerospace vehicles have no historical production data and are nowhere near the vehicles of the past. Using an existing weight-based cost model would only lead to errors and distortions of the true production cost. This report outlines the development of a process-based cost model in which the physical elements of the vehicle are costed according to a first-order dynamics model. This theoretical cost model, first advocated by early work at MIT, has been expanded to cover the basic structures of an advanced aerospace vehicle. Elemental costs based on the geometry of the design can be summed up to provide an overall estimation of the total production cost for a design configuration. This capability to directly link any design configuration to realistic cost estimation is a key requirement for high payoff MDO problems. Another important consideration in this report is the handling of part or product complexity. Here the concept of cost modulus is introduced to take into account variability due to different materials, sizes, shapes, precision of fabrication, and equipment requirements. The most important implication of the development of the proposed process-based cost model is that different design configurations can now be quickly related to their cost estimates in a seamless calculation process easily implemented on any spreadsheet tool. In successive sections, the report addresses the issues of cost modeling as follows. First, an introduction is presented to provide the background for the research work. Next, a quick review of cost estimation techniques is made with the intention to highlight their inappropriateness for what is really needed at the conceptual phase of the design process. The First-Order Process Velocity Cost Model (FOPV) is discussed at length in the next section. This is followed by an application of the FOPV cost model to a generic wing. For designs that have no precedence as far as acquisition costs are concerned, cost data derived from the FOPV cost model may not be accurate enough because of new requirements for shape complexity, material, equipment and precision/tolerance. The concept of Cost Modulus is introduced at this point to compensate for these new burdens on the basic processes. This is treated in section 5. The cost of a design must be conveniently linked to its CAD representation. The interfacing of CAD models and spreadsheets containing the cost equations is the subject of the next section, section 6. The last section of the report is a summary of the progress made so far, and the anticipated research work to be achieved in the future.

Bao, Han P.↗

Light Water Sustainability Program: Optimizing Information Automation Using a New Method Based on System-Theoretic Process Analysis

This report describes the interim progress for research supporting the design and optimization of information automation systems for nuclear power plants. Much of the domestic nuclear fleet is currently focused on modernizing technologies and processes, including transitioning toward digitalization in the control room and elsewhere throughout the plant, along with a greater use of automation, artificial intelligence, robotics, and other emerging technologies. While there are significant opportunities to apply these technologies toward greater plant safety, efficiency, and overall cost-effectiveness, optimizing their design and avoiding potential safety and performance risks depends on ensuring that human-performance-related organizational and technical design issues are identified and addressed. This report describes modeling tools and techniques, based on sociotechnical system theory, to support these design goals and their application in the current research effort. The report is intended for senior nuclear energy stakeholders, including regulators, corporate management, and senior plant management. We have developed and employed a method to design an optimized information automation ecosystem (IAE) based on the systems-theoretic constructs underlying sociotechnical systems theory in general and the Systems-Theoretic Accident Modeling and Processes (STAMP) approach in particular. We argue that an IAE can be modeled as an interactive information control system whose behavior can be understood in terms of dynamic control and feedback relationships amongst the system’s technical and organizational components. Up to this point, we have employed a Causal Analysis based on STAMP (CAST) technique to examine a performance- and safety-related incident at an industry partner’s plant that involved the unintentional activation of an emergency diesel generator. This analysis provided insight into the behavior of the plant’s current information control structure within the context of a specific, significant event. Our ongoing analysis is focused on identifying near-term process improvements and longer-term design requirements for an optimized IAE system. The latter analyses will employ a second STAMP-derived technique, System-Theoretic Process Analysis (STPA). STPA is a useful modeling tool for generating and analyzing actual or potential information control structures. Finally, we have begun modeling plantwide organizational relationships and processes. Organizational system modeling will supplement our CAST and STPA findings and provide a basis for mapping out a plantwide information control architecture. CAST analysis findings indicate an important underlying contributor to the incident under investigation, and a significant risk to information automation system performance, was perceived schedule pressure, which exposed weaknesses in interdepartmental coordination between and within responsible plant organizations and challenged the resilience of established plant processes, until a human caused the initiating event. These findings are discussed in terms of their risk to overall system performance and their implications for information automation system resilience and brittleness. We present two preliminary information automation models. The proactive issue resolution model is a test case of an information automation concept with significant near-term potential for application and subsequent reduction in significant plant events. The IAE model is a more general representation of a broader, plantwide information automation system. From our results, we have generated a set of preliminary system-level requirements and safety constraints. These requirements will be further developed over the remainder of our project in collaboration with nuclear industry subject matter experts and specialists in the technical systems under consideration. Additionally, we will continue to pursue the system analyses initiated in the first part of our effort, with a particular emphasis on STPA as the main tool to identify weak or weakening control structures that affect the resilience of organizations and programs. Our intent is to broaden the scope of the analysis from an individual use case to a related set of use cases (e.g., maintenance tasks, compliance tasks) with similar human-system performance challenges. This will enable more generalized findings to refine the Proactive Issue Resolution and IAE models, as well as their system-level requirements and safety constraints. We will use organizational system modeling analyses to supplement STPA findings and model development. We conclude the report with a set of summary recommendations and an initial draft list of system-level requirements and safety constraints for optimized information automation systems.

99 GENERAL AND MISCELLANEOUS↗

Should We Enhance the Observing Systems or Improve Coordination Among the Operating Agencies: What is Needed the Most for Security--A Philosophical Discussion

As an integrated observing strategy, the concept of sensorweb for Earth observations is appealing in many aspects. For instance, by increasing the spatial and temporal coverage of observations from space and other vantage points, one can eventually aid in increasing the accuracy of the atmospheric models which are precursor to hurricane track prediction, volcanic eruption forecast, and trajectory path of transcontinental transport of dust, harmful nuclear and chemical plumes. In reality, there is little analysis available in terms of benefits, costs and optimized set of sensors needed to make these necessary observations. This is a complex problem that must be carefully studied and balanced over many boundaries such as science, defense, early warning, security, and surveillance. Simplistically, the sensorweb concept from the technological point of view alone has a great appeal in the defense, early warning and security applications. In fact, it can be relatively less expensive in per unit cost as opposed to building and deploying it for the scientific use. However, overall observing approach should not be singled out and aligned somewhat orthogonally to serve a particular need. On the other hand, the sensorweb should be designed and deployed to serve multiple subject areas and customers simultaneously; and can behave as directed measuring systems for both science and operational entities. Sensorweb can be designed to act as expert systems, and/or also provide a dedicated integrated surveillance network. Today, there is no system in the world that is fully integrated in terms of reporting timely multiple hazards warnings, computing the loss of life and property damage estimates, and is also designed to cater to everyone's needs. It is not an easier problem to undertake and more so is not practically solvable. At this time due to some recent events in the world, the scientific community, social scientists, and operational agencies are more cognizant and getting together to address such colossal problems. Increasing our knowledge of the home planet, via amplified set of observations, is certainly a right step in a right direction. Furthermore, this is a pre-requisite in understanding multiple hazard phenomenas. This paper examines various sensorweb options and observing architectures that can be useful specifically in addressing some of these complex issues. The ultimate goal is to serve the society by providing potential natural hazards information to the decision makers in the most expeditious manner so they can prepare themselves to mitigate potential risks to human life, livestock and property.

Habib, Shahid↗

Applying Advanced and Existing Sensors in Dealing with Potential Natural Disasters

As an integrated observing strategy, the concept of sensorweb for Earth observations is appealing in many aspects. For instance, by increasing the spatial and temporal coverage of observations from space and other vantage points, one can eventually aid in increasing the accuracy of the atmospheric models which are precursor to hurricane track prediction, volcanic eruption forecast, and trajectory path of transcontinental transport of dust, harmful nuclear and chemical plumes. In reality, there is little analysis available in terms of benefits, costs and optimized set of sensors needed to make these necessary observations. This is a complex problem that must be carefully studied and balanced over many boundaries such as science, defense, early warning, security, and surveillance. Simplistically, the sensorweb concept from the technological point of view alone has a great appeal in the defense, early warning and security applications. In fact, it can be relatively less expensive in per unit cost as opposed to building and deploying it for the scientific use. However, overall observing approach should not be singled out and aligned somewhat orthogonally to serve a particular need. On the other hand, the sensorweb should be designed and deployed to serve multiple subject areas and customers simultaneously; and can behave as directed measuring systems for both science and operational entities. Sensorweb can be designed to act as expert systems, and/or also provide a dedicated integrated surveillance network. Today, there is no system in the world that is fully integrated in terms of reporting timely multiple hazards warnings, computing the loss of life and property damage estimates, and is also designed to cater to everyone s needs. It is not an easier problem to undertake and more so is not practically solvable. At this time due to some recent events in the world, the scientific community, social scientists, and operational agencies are more cognizant and getting together to address such colossal problems. Increasing our knowledge of the home planet, via amplified set of observations, is certainly a right step in a right direction. Furthermore, this is a prerequisite in understanding multiple hazard phenomena's. This paper examines various sensorweb options and observing architectures that can be useful specifically in addressing some of these complex issues. The ultimate goal is to serve the society by providing potential natural hazards information to the decision makers in the most expeditious manner so they can prepare themselves to mitigate potential risks to human life, livestock and property.

Habib, Shahid↗

Acquiring Comprehensive Observations using an Integrated Sensorweb for Early Warning

As an integrated observing strategy, the concept of sensorweb for Earth observations is appealing in many aspects. For instance, by increasing the spatial and temporal coverage of observations from space and other vantage points, one can eventually aid in increasing the accuracy of the atmospheric models which are precursor to hurricane track prediction, volcanic eruption forecast, and trajectory path of transcontinental transport of dust, harmful nuclear and chemical plumes. In reality, there is little analysis'available in terms of benefits, costs and optimized set of sensors needed to make these necessary observations. This is a complex problem that must be carefully studied and balanced over many boundaries such as science, defense, early warning security, and surveillance. Simplistically, the sensorweb concept from the technological point of view alone has a great appeal in the defense, early warning and security applications. In fact, it can be relatively less expensive in per unit cost as opposed to building and deploying it for the scientific use. However, overall observing approach should not be singled out and aligned somewhat . orthogonally to serve a particular need. On the other hand, the sensorweb should be designed and deployed to serve multiple subject areas and customers simultaneously; and can behave as directed measuring systems for both science and operational entities. Sensorweb can be designed to act as expert systems, and/or also provide a dedicated integrated surveillance network. Today, there is no system in the world that is fully integrated in terms of reporting timely multiple hazards warnings, computing the lass of life and property damage estimates, and is also designed to cater to everyone's needs. It is not an easier problem to undertake and more so is not practically solvable. At this time due to some recent events in the world, the scientific community, social scientists, and operational agencies are more cognizant and getting together to address such colossal problems. Increasing our knowledge of the home planet, via amplified set of observations, is certainly a right step in a right direction. Furthermore, this is a pre-requisite in understanding multiple hazard phenomena's. This paper examines various sensorweb options and observing architectures that can be useful specifically in addressing some of these complex issues. The ultimate goal is to serve the society by providing potential natural hazards information to the decision makers in the most expeditious manner so they can prepare themselves to mitigate potential risks to human life, livestock and property.

Habib, Shahid↗

Acquiring Comprehensive Observations using an integrated Sensorweb for Early Warning

As an integrated observing strategy, the concept of sensorweb for Earth observations is appealing in many aspects. For instance, by increasing the spatial and temporal coverage of observations from space and other vantage points, one can eventually aid in increasing the accuracy of the atmospheric models which are precursor to hurricane track prediction, volcanic eruption forecast, and trajectory path of transcontinental transport of dust, harmful nuclear and chemical plumes. In reality, there is little analysis'available in terms of benefits, costs and optimized set of sensors needed to make these necessary observations. This is a complex problem that must be carefully studied and balanced over many boundaries such as science, defense, early warning, security, and surveillance. Simplistically, the sensorweb concept from the technological point of view alone has a great appeal in the defense, early warning and security applications. In fact, it can be relatively less expensive in per unit cost as opposed to building and deploying it for the scientific use. However, overall observing approach should not be singled out and aligned somewhat orthogonally to serve a particular need. On the other hand, the sensorweb should be designed and deployed to serve multiple subject areas and customers simultaneously; and can behave as directed measuring systems for both science and operational entities. Sensorweb can be designed to act as expert systems, and/or also provide a dedicated integrated surveillance network. Today, there is no system in the world that is fully integrated in terms of reporting timely multiple hazards warnings, computing the loss of life and property damage estimates, and is also designed to cater to everyone's needs. It is not an easier problem to undertake and more so is not practically solvable. At this time due to some recent events in the world, the scientific community, social scientists, and operational agencies are more cognizant and getting together to address such colossal problems. Increasing our knowledge of the home planet, via amplified set of observations, is certainly a right step in a right direction. Furthermore, this is a pre-requisite in understanding multiple hazard phenomena's. This paper examines various sensorweb options and observing architectures that can be useful specifically in addressing some of these complex issues. The ultimate goal is to serve the society by providing potential natural hazards information to the decision makers in the most expeditious manner so they can prepare themselves to mitigate potential risks to human life, livestock and property.

Habib, Shahid↗

Optimizing Information Automation Using a New Method Based on System-Theoretic Process Analysis: Tool Development and Method Evaluation

This report is an update to a prior report that describes progress and findings for a program of research supporting the design and optimization of information automation systems for nuclear power plants. Much of the domestic nuclear fleet is currently focused on modernizing technologies and processes, including transitioning toward digitalization in the control room and throughout the plant, along with a greater interest in the use of automation, artificial intelligence, robotics, and other emerging technologies. While there are significant opportunities to apply these technologies toward greater plant safety, efficiency, and overall cost-effectiveness, optimizing their design and avoiding potential safety and performance risks depends on ensuring that human performance-related organizational and technical design issues are identified and addressed early in the design process. This report describes modeling tools and techniques, based on sociotechnical systems theory, to support these design goals and their application in the current research effort. The report is primarily intended for senior nuclear energy stakeholders, including regulators, corporate management, and senior plant management. We have developed and employed a method to design an optimized information automation ecosystem (IAE) based on the systems-theoretic constructs underlying sociotechnical systems theory in general and the Systems-Theoretic Accident Modeling and Processes (STAMP) approach in particular. We argue that an IAE can be modeled as an interactive information control system whose behavior can be understood in terms of dynamic control, feedback, and communication relationships amongst the system’s technical and organizational components. We have employed two STAMP-based tools in this effort. The first is Causal Analysis based on STAMP (CAST), an accident and incident analysis technique that was used to examine a performance- and safety-related incident at an industry partner’s plant involving the unintentional activation of an emergency diesel generator. This analysis provided insight into the behavior of the plant’s current information control structure within the context of a specific, significant event. The second tool is Systems Theoretic Process Analysis (STPA) which is a proactive risk analysis tool used to examine existing and potential, planned sociotechnical systems. STPA was used to identify risk factors in the current design of a generic nuclear power plant (NPP) preventive maintenance system. Our analyses focused on identifying near-term system improvements and longer-term design requirements for an optimized IAE system. CAST analysis findings indicate an important underlying contributor to the incident under investigation, and a significant risk to information automation system performance, was perceived time and schedule pressure, which exposed weaknesses in interdepartmental coordination between and within responsible plant organizations and challenged the resilience of established plant processes, until a human caused the eventual event. These findings are discussed in terms of their risk to overall system performance and their implications for information automation system resilience and brittleness. STPA findings exposed several areas of concern in the design of current preventive maintenance systems. We also present two preliminary information automation models. The proactive issue resolution (PIR) model is a test case of an information automation concept with significant near-term potential for application and subsequent reduction in significant plant events. The IAE model is a more general representation of a broader, plantwide information automation system and represents an end-state vision for our work. From our results, we have generated an initial set of preliminary system-level requirements and safety constraints for these models. We have also focused on early development of easy to learn, easy to use “transportable” tools for sociotechnical systems analysis. We intend these to be used by NPP personnel as a means of gaining reliable and relatively quick insight into (1) sociotechnical systems factors impacting incidents and accidents, (2) potential sociotechnical risk factors in existing or planned system designs, and (3) potential weaknesses in a system’s safety and/or information control structure. We conclude the report with a set of summary recommendations, a discussion of planned and potential follow-on research and development, and a draft list of system-level requirements and safety constraints for optimized information automation systems.

99 GENERAL AND MISCELLANEOUS↗

Generation Plant Cost of Operations and Cycling Optimization Model (Final Technical Report)

Modern coal plants are a masterpiece of engineering, having been refined and improved over more than a century. As they evolved, they have grown more efficient and cleaner. At the same time, they have grown much larger and increasingly designed to operate on very specific fuels at or near the maximum capacity, providing baseload power. In recent decades, however, they have been called on to operate at reduced capacity (cycled) at a loss of efficiency and possibly accelerated wear and tear. The purpose of this project was to develop a model to accurately estimate the cost of cycling large coal plants so that they can be operated efficiently as part of a comprehensive strategy for generation planning and dispatch. The final goal is a model which is commercial-ready that can be “tuned” to different plants for widespread use.

20 FOSSIL-FUELED POWER PLANTS↗

Sensor Web Architectural Concepts and Implementation Challenges - An Heuristic Approach

There is a significant interest in the Earth Science remote sensing community to increase the number of observations. The obvious reasons for such a push is to improve the temporal and surface coverage of measurements. However, there is little analysis available in terms of benefits, costs and optimized set of sensors needed to make these necessary observations. In reality, this is a complex problem that should be carefully studied and balanced over many boundaries. For example, the question of technology maturity versus users desire to obtain additional measurements is non congruent. This is further complicated by the limitations of the laws of physics and the economic conditions. With the advent of advance technology, it is anticipated that the cost of the spacecraft technology will become more affordable. However, the specialized detector subsystems, and the precision flying techniques may still require substantial innovation, development time and cost. Additionally, the space deployment scheme should also be given a careful attention because of a high expense. Nonetheless, it is important to carefully examine the science priorities and steer the development efforts that can commensurate with the tangible requirements. This paper outlines a possible set of architectural concepts, operational scenarios and potential benefits of one scheme versus another. It further makes some suggestions where one can draw some boundary conditions to incrementally solve this predicament.

Habib, Shahid↗

Launch Vehicle Propulsion Parameter Design Multiple Selection Criteria

The optimization tool described herein addresses and emphasizes the use of computer tools to model a system and focuses on a concept development approach for a liquid hydrogen/liquid oxygen single-stage-to-orbit system, but more particularly the development of the optimized system using new techniques. This methodology uses new and innovative tools to run Monte Carlo simulations, genetic algorithm solvers, and statistical models in order to optimize a design concept. The concept launch vehicle and propulsion system were modeled and optimized to determine the best design for weight and cost by varying design and technology parameters. Uncertainty levels were applied using Monte Carlo Simulations and the model output was compared to the National Aeronautics and Space Administration Space Shuttle Main Engine. Several key conclusions are summarized here for the model results. First, the Gross Liftoff Weight and Dry Weight were 67% higher for the design case for minimization of Design, Development, Test and Evaluation cost when compared to the weights determined by the minimization of Gross Liftoff Weight case. In turn, the Design, Development, Test and Evaluation cost was 53% higher for optimized Gross Liftoff Weight case when compared to the cost determined by case for minimization of Design, Development, Test and Evaluation cost. Therefore, a 53% increase in Design, Development, Test and Evaluation cost results in a 67% reduction in Gross Liftoff Weight. Secondly, the tool outputs define the sensitivity of propulsion parameters, technology and cost factors and how these parameters differ when cost and weight are optimized separately. A key finding was that for a Space Shuttle Main Engine thrust level the oxidizer/fuel ratio of 6.6 resulted in the lowest Gross Liftoff Weight rather than at 5.2 for the maximum specific impulse, demonstrating the relationships between specific impulse, engine weight, tank volume and tank weight. Lastly, the optimum chamber pressure for Gross Liftoff Weight minimization was 2713 pounds per square inch as compared to 3162 for the Design, Development, Test and Evaluation cost optimization case. This chamber pressure range is close to 3000 pounds per square inch for the Space Shuttle Main Engine.

Shelton, Joey Dewayne↗

Preliminary analysis of the benefits derived to US Air Force spacecraft from on-orbit refueling

This analysis was undertaken during FY-91 as a preliminary step to identify potential benefits from refueling Air Force satellites on orbit. Both economic and operational benefits were included. Operational benefits were related in economic terms to allow evaluation. All economic comparisons were made using FY-91 costs. An additional purpose of the effort was to identify the preferred mission parameters, for an on-orbit refueling system. A companion study was being concurrently conducted by SSD/XRP and NASA/JPL to develop a hardware concept for an on-orbit refueling system. The mass estimates for refueling missions obtained from the companion study were used in conducting the economic analyses of this benefits study. For this study, on-orbit refueling was based on the concept developed in the companion JPL study. The concept involves launching an S/C carrying fuel that would be transferred to another 'target' S/C which is already in orbit. The two S/C would then rendezvous, dock, and transfer fuel. Another fluid, such as a cryogenic, might be included if needed by the target S/C. The hardware concept for refueling was intended to minimize costs. The re-fueler S/C was designated to be expendable and would contain only the minimal capabilities. It would be launched into the orbit plane and altitude of the target S/C(s). The re-fueler S/C would rendezvous and dock with the target S/C and the fluid transfer would occur. When the refueling mission was completed, the re-fueler S/C would be ejected from the orbit. In order to optimize launch costs, some missions involved launching two re-fueler S/C on the LV. In this case the second re-fueler S/C would be placed in a storage orbit until needed.

Smith, Scott↗

Techno-economic feasibility of geothermal energy production using inactive oil and gas wells for district heating and cooling systems in Tuttle, Oklahoma

Oil and gas wells have been drilled in the United States and often encounter hot co-produced water possibly suitable for geothermal direct-use applications. Here this study evaluated geothermal resources, heating and cooling demand, and techno-economic potential of four oil and gas wells repurposed for geothermal energy production to serve two public schools and 250 nearby houses in Tuttle, Oklahoma, USA. Subsurface geology in the study area primarily consists of Permian to Mississippian sandstone and limestone formations approximately from 2 km to 3.5 km depth. With a geothermal gradient of 25.3 °C/km, the temperature of geothermal energy production was estimated as 68.2 °C at 2.1 km. The potential of calcite scaling within boreholes and pipes was minimal. Using the characterized reservoir properties, techno-economic analyses were conducted for evaluating levelized costs of geothermal energy production for direct-use heating and cooling and district heating systems with five different production scenarios. Heating and cooling demand in two schools and 250 houses and additional 0.3 MW and 0.6 MW base heating loads for potential geothermal direct-use applications in the study area were also incorporated in the modeling. Results indicated that the levelized cost of heating of geothermal district heating systems utilizing existing wells were significantly lower than those of conventional geothermal energy systems that include well drillings. The geothermal energy production with doublet and quartet configurations was generally sufficient to supply total annual heating demand in the district, while a peaking boiler was used to supply peak loads. Doublet configurations showed higher production temperature with a lower thermal drawdown than the quartet configurations. The doublet system at 2.1 km production depth with 9.3 kg/s flow rate represented the optimal levelized cost of $71/MWh and 91.2% utilization factor. These results imply that the Tuttle geothermal district heating system is techno-economically feasible and comparable to geothermal district heating systems in the United States and the regional natural gas rate for residentials by recycling inactive oil and gas wells with no drillings.

15 GEOTHERMAL ENERGY↗

Identification of the optimal carbon fiber shape for cost-specific compressive performance

We report carbon fiber composites offer superior mechanical performance compared to nearly all other useful materials for the design of structures. However, for cost-driven industries, such as with the wind energy and vehicle industries, the cost of commercial carbon fiber materials is often prohibitive for their usage compared to alternatives. This paper develops an approach to optimize fiber geometries for use in carbon fiber reinforced polymers to increase the compressive strength per unit cost. Compressive strength is a composite property that depends on the fiber, matrix, and interface, and an exact analytic expression does not exist that can accurately represent these complicated relationships. The approach taken instead is to use a weighted summation between the fiber cross-sectional area moment of inertia and perimeter as a proxy for compressive strength, with different weightings explored within the paper. Analyses are performed to identify optimal fiber geometries that increase the cost-specific compressive strength based on various assumptions and desired fiber volume fraction. Robust optimal shapes are identified which outperform circular fibers due to increases in area moment of inertia and perimeter, as well as decreases in carbon fiber processing costs.

36 MATERIALS SCIENCE↗