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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

A Unified Testing Platform to Mature Blockchain Applications for Grid Emulation Environments

Blockchain technology is a relatively novel technology that can be used to develop more decentralized, autonomous and tamper-evident solutions. A feature that can aid Transactive Energy Systems to reach their goals by enabling individual actors to communicate and reach consensus with other participants in a more decentralized fashion. However, technical barriers to evaluate and adopt this type of technology within the electrical domain still exist. To facilitate this task, BLOSEM Unified Testing Platform (UTP), a DOE-sponsored, multi-lab effort intends to accelerate the development of solutions by offering a common set of reusable services that can be used to interconnect existent grid tools with blockchain services. UTP is intended to serve as development platform that can provide application engineers with the technical means to evaluate potential blockchain solutions, by enabling them to concentrate on the actual application functionalities while at the same time abstracting the connectivity and performance measurement tasks. The use of BLOSEM UTP is further demonstrated by implementing two potential use cases that are intended to validate both the feasibility of implementing these applications as blockchain-based solutions while also demonstrating the features provided by UTP.

blockchain co-simulation↗
DOE OSTI2022

Growth Optimization and Device Integration of Narrow‐Bandgap Graphene Nanoribbons

Abstract The electronic, optical, and magnetic properties of graphene nanoribbons (GNRs) can be engineered by controlling their edge structure and width with atomic precision through bottom‐up fabrication based on molecular precursors. This approach offers a unique platform for all‐carbon electronic devices but requires careful optimization of the growth conditions to match structural requirements for successful device integration, with GNR length being the most critical parameter. In this work, the growth, characterization, and device integration of 5‐atom wide armchair GNRs (5‐AGNRs) are studied, which are expected to have an optimal bandgap as active material in switching devices. 5‐AGNRs are obtained via on‐surface synthesis under ultrahigh vacuum conditions from Br‐ and I‐substituted precursors. It is shown that the use of I‐substituted precursors and the optimization of the initial precursor coverage quintupled the average 5‐AGNR length. This significant length increase allowed the integration of 5‐AGNRs into devices and the realization of the first field‐effect transistor based on narrow bandgap AGNRs that shows switching behavior at room temperature. The study highlights that the optimized growth protocols can successfully bridge between the sub‐nanometer scale, where atomic precision is needed to control the electronic properties, and the scale of tens of nanometers relevant for successful device integration of GNRs.

36 MATERIALS SCIENCE↗
NASA NTRS2001

Optimal Control Design Using an H2 Method for the Glovebox Integrated Microgravity Isolation Technology (g-LIMIT)

The acceleration environment on the International Space Station (ISS) will likely exceed the requirements of many micro-gravity experiments. The Glovebox Integrated Microgravity Isolation Technology (g-LIMIT) is being built by the NASA Marshall Space Flight Center to attenuate the nominal acceleration environment and provide some isolation for micro-gravity science experiments. G-LIMIT uses Lorentz (voice-coil) magnetic actuators to isolate a platform for mounting science payloads from the nominal acceleration environment. The system utilizes payload acceleration, relative position, and relative orientation measurements in a feedback controller to accomplish the vibration isolation task. The controller provides current command to six magnetic actuators, producing the required experiment isolation from the ISS acceleration environment. This paper presents the development of a candidate control law to meet the acceleration attenuation requirements for the g-LIMIT experiment platform. The controller design is developed using linear optimal control techniques for both frequency-weighted H(sub 2) and H(sub infinity) norms. Comparison of the performance and robustness to plant uncertainty for these two optimal control design approaches are included in the discussion.

Calhoun, Phillip C.↗
NASA NTRS2002

Optimal Control Design using an H(sub 2) Method for the Glovebox Integrated Microgravity Isolation Technology (G-Limit)

The acceleration environment on the International Space Station (ISS) will likely exceed the requirements of many micro-gravity experiments. The Glovebox Integrated Microgravity Isolation Technology (g-LIMIT) is being built by the NASA Marshall Space Flight Center to attenuate the nominal acceleration environment and provide some isolation for microgravity science experiments. G-LIMIT uses Lorentz (voice-coil) magnetic actuators to isolate a platform for mounting science payloads from the nominal acceleration environment. The system utilizes payload acceleration, relative position, and relative orientation measurements in a feedback controller to accomplish the vibration isolation task. The controller provides current commands to six magnetic actuators, producing the required experiment isolation from the ISS acceleration environment. This paper presents the development of a candidate control law to meet the acceleration attenuation requirements for the g-LIMIT experiment platform. The controller design is developed using linear optimal control techniques for frequency-weighted H(sub 2) norms. Comparison of the performance and robustness to plant uncertainty for this control design approach is included in the discussion.

Calhoun, Philip C.↗
DOE OSTI2023

Initial Characterization and Optimization of the Liquid Sampling-Atmospheric Pressure Glow Discharge Ionization Source Coupled to an Orbitrap Mass Spectrometer for the Determination of Plutonium

Plutonium measurements are essential to the nuclear forensics and safeguards community. The liquid sampling-atmospheric pressure glow discharge (LS-APGD) microplasma ionization source coupled with an Orbitrap mass spectrometer is a proven platform for uranium isotope ratio determinations. Here, this work expands the LS-APGD-Orbitrap platform capabilities by reporting the first-ever analysis of plutonium with the LS-APGD and the first-ever measurement of elemental plutonium with an Orbitrap mass spectrometer. This coupling has the potential to dramatically reduce the complex sample manipulations required for traditional analysis techniques employed for actinide isotope ratio determinations. As a first step toward the goal of simultaneous uranium and plutonium isotope ratio determinations, the initial characterization and optimization of the platform for the detection of plutonium are reported. Collision-induced dissociation modality settings were optimized to reduce water-related and other molecular clusters containing plutonium, maximizing 242 Pu 16 O 2 + responses. A design of experiments study was conducted to optimize the discharge conditions of the dual-electrode LS-APGD toward the responsivity of 242 Pu 16 O 2 +. The measurement sensitivity was determined from a Pu response curve, yielding a limit of detection of 10 fg (absolute) of total analyte when data was collected and processed with a Spectroswiss FTMS Booster X2 data acquisition system. Additionally, plutonium and uranium were measured in a simultaneous acquisition, and each analyte remained unaffected by the other. It is believed that the LS-APGD-Orbitrap platform could be a valuable addition to the nuclear forensics’ toolbox and, indeed, other scientific disciplines and regulatory communities in which rapid, high-resolution plutonium determinations are paramount.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Industrial Scale Demonstration of Smart Manufacturing, Achieving Transformational Energy Productivity Gains

While many U.S. manufacturing operations utilize optimization for individual unit processes, smart manufacturing (SM) systems that integrate manufacturing intelligence in real time across an entire production operation are rare in large companies and virtually nonexistent in smaller organizations. One example of an area where SM systems can be applied is in the management of waste heat. A smart system that not only seeks to recover waste heat, but also to use energy more efficiently, is a more cost-effective approach because energy use, waste energy loss and product output are optimized together. The overall objective of this project was to develop an industry-accepted SM Platform that enables smart systems by accelerating and lowering the cost of development and implementation scales for use in diverse sets of manufacturing industry sectors, manufacturing operations and company sizes. Specifically, the project (1) designed and demonstrated the application of a prototype SM Platform for two diverse commercial test beds, (2) demonstrated at one and estimated for the other test bed the potential reduction in waste heat generation, and (3) worked with leading automation vendors to catalyze low-cost commercialization of the technology developed. The Smart Manufacturing Application and Data Platform (SM Platform) developed during this project is an innovative approach that marries IT virtualization technologies with operational data and modeling system requirements to construct a ready-to-go platform for enabling sensor – data – modeling – actuation systems, driven by real-time plant data and performance metrics. This SM Platform allows manufacturing organizations, regardless of their industry or size, to assemble new operational systems at a much lower cost, optimizing process knowledge and improving energy productivity by integrating with existing process control and automation systems. Also developed during this project is a methodology for developing energy productivity metrics that use real-time process information and provide comparisons for potential, practical, and actual performance, as well as examples and the methodology for provisioning of an Energy Dashboard that displays alternatives to optimize energy use within specific business contexts aimed at helping improve energy productivity and reduce emissions in U.S. manufacturing. The SM Platform designed utilizes current manufacturing, operational and IT industry standards. The platform can be used to expedite sensor – data – model – actuation system development and deployment in a cloud-based environment using a novel end-to-end workflow as a service capability that is already integrated with data connection, ingestion, and contextualization services. In addition, the methodology for development of energy productivity metrics and reusable application templates called Toolkits have been defined so that they can be tailored to a specific business situation. The project’s two test beds, one in a hydrogen production plant and the other in a forging, heat treatment, and machining operation, utilize sensor-driven modeling, measurement, and simulation systems. In these two test beds, the implementation of these as a comprehensive system has made it possible for energy productivity to be managed in real-time throughout the plant and enterprise using an energy dashboard. The development pathway to direct machine actuation was articulated. During the first year, the project team developed the most highly instrumented steam-methane reformer (SMR) in the U.S. using infrared cameras and thermocouples. Real-time data are streamed to high fidelity and reduced-order models for analysis. A high fidelity CFD model, parallelized in the SM Platform cloud environment, was demonstrated for operational use. This is the first real-time operational productivity system of a steam methane reformer using both high fidelity and data-driven models together in a real time situation to balance natural gas flow to the reformer tubes. An infrared camera system was developed and shown to outperform thermocouples in coverage, accuracy, reliability, and cost effectiveness for use in a high temperature, harsh environment. A forging, heat-treating, machining line operation test bed includes new instrumentation for data capture analysis, modeling, and simulation and will be integrated into SM Platform workflows so that business performance can be managed in real-time. Composable metrics were developed using the SM Platform to drive improvements in energy productivity, environmental performance, safety, asset management, costs, and overall operations. A major focus of the SM systems developed was optimization of energy productivity at the enterprise level, which resulted in reductions in waste heat generation for the two project test beds. Reductions in the waste heat generated will result in greater energy savings than will waste heat recovery due to inefficiencies in the heat transfer process. For the SMR test bed an efficiency improvement of 1 – 2% with a corresponding waste heat reduction of 5% were demonstrated. It should be noted that the test bed SMR unit had an efficiency of more than 90% as compared to 70 to 80% efficiencies of most SMR units. So implementation of similar SM systems at typical SMR units could yield more than 15 to 25% waste heat reductions. Similarly the forging, heat-treating, machining line operation test bed is a DOE AMO Platinum Level Superior Energy Performance plant with a much higher than typical overall operating efficiency. For this test bed heat integration using recuperators is estimated to result in fuel savings of 15.9% due to waste heat recovery compared to the base case without recuperators with negligible changes in part exit conditions. This results in an 18.9% energy efficiency improvement. The project team estimates that broad multi-sector adoption of the developed technology could reduce waste heat generation by an amount equivalent to 1.3% of total U.S. energy use. This waste heat reduction is associated with 69 million tons reduction in annual carbon dioxide emissions. Other potential benefits include reducing process times, solid and liquid wastes, environmental impacts, and water use. It is estimated that this investment has an anticipated payback period of less than one year in energy-intensive applications. The SM Platform could also reduce the costs of deploying SM systems by 50% in manufacturing operations. Commercialization of the SM Platform will require significant cross-industry collaboration and technology provider market changes. Steps taken toward commercialization included 1) analyzing savings from deployment of the SM Platform and 2) holding SM Platform workshops, webinars, and conferences with targeted individual industry segments, with a focus on small and medium-sized organizations. An upgraded community website has been established as a portal for accessing and distributing information. Most importantly, the SM platform enabling technology developed during this project and its commercialization will continue, evolve and expand under the Clean Energy Smart Manufacturing Innovation Institute (CESMII).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Zero Emission Cargo Transport (ZECT) II Demonstration: South Coast Air Quality Management District (Final Report)

The South Coast Air Quality Management District (South Coast AQMD), California Air Resources Board (CARB) and Southern California Association of Governments (SCAG) — the agencies responsible for preparing the State Implementation Plan required under the federal Clean Air Act — have agreed that attainment of federal air quality standards for the region will require a transition to the broad use of zero and near-zero emission energy sources in cars, trucks and other equipment. Accordingly, the 2012 South Coast AQMD Air Quality Management Plan, the SCAG 2012 Regional Transportation Plan, and the “Vision for Clean Air: A Framework for Air Quality and Climate Control Planning” all identify the need to immediately enact a phasing in of zero and near-zero emission technologies to meet air quality goals. In 2014, South Coast AQMD was awarded grant funding under the US Department of Energy Zero Emission Cargo Transport (ZECT) II Demonstration program to develop and demonstrate zero-emission drayage trucks for goods movement operations between the Port of Los Angeles (POLA) and Port of Long Beach (POLB) near dock rail yards and warehouses: 1) development and demonstration of zero-emission fuel cell range extended electric drayage trucks and 2) development and demonstration of hybrid electric drayage trucks. The purpose of this project was to accelerate deployment of zero emission cargo transport technologies to reduce harmful diesel emissions, petroleum consumption and greenhouse gases in the surrounding communities along the goods movement corridors that are impacted by heavy diesel traffic and the associated air pollution. Between 2014 – 2024, six ZECT II zero-emission fuel cell drayage truck platforms, including fuel cell range extended and CNG hybrid trucks, were successfully designed, developed, integrated, built, tested, and demonstrated with drayage fleet operators in transportation corridors within areas of the South Coast AQMD jurisdiction in Southern California such as in and around POLA and POLB. Portable hydrogen refueling was deployed to support the fuel cell vehicles. The project had real-time improvement with on-going debugging and optimizations while the vehicles were under demonstration. All platforms demonstrated sufficient or excess power, torque, and energy to support 82,000lbs Gross Vehicle Weight Rating and gradeability to perform their daily duty cycles. Collectively, the trucks drove over 23,000 miles during their respective demonstration phases. The ZECT II project was the first of its kind to demonstrate the commercial viability that supported the additional technology breakthroughs for Class 8 zero emission trucks and validations as well as the regulatory basis for all the zero-emission regulation that we know today, such as the Innovative Clean Transit regulation, Advanced Clean Trucks and Clean Fleet regulations.

08 HYDROGEN↗
NASA NTRS1992

Multidisciplinary optimization of a controlled space structure using 150 design variables

A general optimization-based method for the design of large space platforms through integration of the disciplines of structural dynamics and control is presented. The method uses the global sensitivity equations approach and is especially appropriate for preliminary design problems in which the structural and control analyses are tightly coupled. The method is capable of coordinating general purpose structural analysis, multivariable control, and optimization codes, and thus, can be adapted to a variety of controls-structures integrated design projects. The method is used to minimize the total weight of a space platform while maintaining a specified vibration decay rate after slewing maneuvers.

James, Benjamin B.↗
NASA NTRSDate not supplied

Real World Applications of AI/ML in Optimizing Airspace Operations

As National Airspace System (NAS) is going through the Digital Transformation journey, data science and analytics methods can significantly contribute to improving the traditional physics-based decision-making tools. The adoption of AI/ML methods will not only help accelerate Federal Aviation Administration (FAA)’s vision of Info-centric NAS but also contribute to the overall objective of sustainable aviation. AI/ML can improve the ground and airspace operations by enhancing the accuracy of current decision-making tools used by the airlines and the FAA to manage traffic on the ground and in the air. Huge amount of data that gets collected during a flight. AI/ML methods can extract information from this data and provide valuable insights to make better operational decisions. NASA has partnered with the FAA and commercial airlines such as American and Southwest Airlines on this effort and has successfully demonstrated the benefits of using ML in real world environment by reducing delays and optimizing ground operations at the US airports. In 2022 itself, NASA demonstrated real-world benefits (over 24K lbs. of fuel savings, over 76.6K lbs. CO2 emission savings, and several hours of delay savings) by deploying ML based prediction models to optimize ground operations at Dallas/Fort Worth International and Dallas Love Field Airports in Texas. These tools are being deployed on the cloud for broader deployment, adaptability, and scalability. NASA is developed a reference implementation of the cloud-based platform to significantly lower the bar to development and distribution of these digital services for aviation. In this talk, I will share information about the Digital Information Platform project, the novel AI/ML based approaches used for optimizing ground operations and the opportunities to partner with NASA on these demonstrations.

air traffic management↗
DOE OSTI2024

Multiphysics Design Optimization and Additive Manufacturing of Nuclear Components (Final CRADA Report - Executive Summary)

Westinghouse Electric Company (WEC) actively participated in the advancement of the nuclear fuel and reactor design space and requested the help of Oak Ridge National Laboratory (ORNL) in the creation of a new design tool set. This report details the creation of a collection of software tool sets that are linked together to collectively assist WEC design engineers in developing novel ideas outside the normal scope of traditional nuclear fuel and reactor design formulas. Specifically, Siemens HEEDS, a design space exploration and parametric optimization software, monitored and changed parameters in a collection of softwares to meet the team’s objective. The HEEDS parametric optimization method, SHERPA, was developed to control the Siemens NX CAD platform to adjust the native CAD of a hexahedral spacer grid. This new geometry can be used to execute a topological design optimization by the NX Topology software add-in. The resulting geometry is additively manufacturable. This topological optimization occurred twice—once on the spacer grid’s spring, and once on the dimple geometry. These new geometries were imported by Siemens’ STAR-CCM+, a multiphysics structural and fluid dynamic computational solver in which the spring geometry is deflected to match the rod insertion configuration. Along with the dimple geometry, this new deflected spring was used to complete a hydraulic assessment of a single-unit cell comprising one rod, one spring, and two dimples. The HEEDS SHERPA algorithm ranks the design based on the final mass of the unit cell and the hydraulic pressure drop performance. The ORNL team demonstrated the ability to use this software and provided engineering judgement to apply modern aerospace aerodynamic design. The effort has been focused on thinking outside the conventional design space and redesigning a spacer grid to perform beyond the WEC set objectives. Furthermore, the ORNL team also demonstrated that the HEEDS optimization routine can independently develop a design that meets the WEC design goals. Although these designs were at a low technology readiness level, their demonstration confirmed the team’s capability to create novel advanced nuclear concepts.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1982

Space platform accommodations

The results of studies performed at NASA of five space platform design reference missions (DRM) are presented. The DRM's were planned in an effort to eliminate problems, rather than to enhance optimization. A diagram of each payload is included, and the space platform concept is presented with the most important features being a continuous total power supply of 12.5 kW to the payloads at 30 and/or 120 Vdc regulated, a high-rate multiplexer with a total output of 48 Mbps, and and a thermal control system capable of dissipating the platform power output at payload fluid temperatures of 0 C to 3 C. Payload interface requirements were analyzed and appropriate integration hardware was added. Payload viewing characteristics are considered, and resource use is discussed. It is concluded that, in payload applications, efficient use of STS transportation and the platform must be considered.

Bailey, W.↗
DOE OSTI2024

Control Co-Design Studies for a 22 MW Semisubmersible Floating Wind Turbine Platform

We present a control co-design software framework that can be used to optimize floating wind turbines and their controllers. Because this framework has many options for design variables, constraints, and merit figures, along with modeling fidelity levels, we seek to demonstrate best practices for using the tool while designing a floating platform for the new 22 MW offshore reference wind turbine developed within the International Energy Agency Wind Technology Commercialization Programme 55 on Reference Wind Turbines and Farms. During these studies, we evaluate the use of different simulation fidelity levels, the effect of using different load cases for controller tuning, and the difference between sequential and simultaneous control co-design solutions. Based on these efforts, we suggest using an algorithm that performs an initial search of the design space before optimization. We find that solving smaller optimization problems, in a sequential manner, leads to more reliable outcomes in fewer iterations than larger, simultaneous control co-design solutions. However a simultaneous CCD solution produces a platform with a 2% lower mass than the sequential CCD outcome.

17 WIND ENERGY↗
DOE OSTI2017

An Augmented Lagrangian Filter Method for Real-Time Embedded Optimization

We present a filter line-search algorithm for nonconvex continuous optimization that combines an augmented Lagrangian function and a constraint violation metric to accept and reject steps. The approach is motivated by real-time optimization applications that need to be executed on embedded computing platforms with limited memory and processor speeds. The proposed method enables primal–dual regularization of the linear algebra system that in turn permits the use of solution strategies with lower computing overheads. We prove that the proposed algorithm is globally convergent and we demonstrate the developments using a nonconvex real-time optimization application for a building heating, ventilation, and air conditioning system. Our numerical tests are performed on a standard processor and on an embedded platform. Lastly, we demonstrate that the approach reduces solution times by a factor of over 1000.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Development of Manufacturing Technology to Accelerate Cost Reduction of Low Concentration and

The purpose of this project was to accelerate deployment of cost-effective US-based manufacturing of Solaria’s unique c-Si module technology. This effort successfully resulted in the development of US-based manufacturing technology to support two highly-differentiated, market leading product platforms. The project was initially predicated on developing Solaria’s low-concentration PV (LCPV) module technology which at the time of the award was uniquely positioned to exceed the SunShot price goal of $0.50/Wp for standard c-Si modules. The Solaria LCPV module is a 2.5x concentrator that leverages proven, high-reliability PV module materials and low silicon cell usage into a technology package that already had the lowest direct material cost and leading Levelized Cost of Electricity (LCOE). With over 25 MW commercially deployed globally, the Solaria module was well positioned to continue to lead in PV module cost reduction. Throughout the term of the contract, market conditions changed dramatically and so to did Solaria’s product offerings to support this. However, the manufacturing technology developed for the LCPV module was successfully leveraged and optimized to support two new and different product platforms. BIPV “PowerVision” and High-efficiency “PowerXT” modules. The primary barrier to enabling high-volume PV module manufacturing in the US is the high manual labor component in certain unique aspects of our manufacturing process. The funding was used to develop unique manufacturing automation which makes the manual labor components of these key processes more efficient and increase throughput. At the core of Solaria’s product offerings are its unique and proprietary techniques for dicing and re-arranging solar cells into modules with highly-differentiated characteristics that address key gaps in the c-Si market. It is these techniques that were successfully evolved and deployed into US-based manufacturing site with SunShot funding. Today, Solaria is currently positioned to become the market leader with these two technologies over the coming 24 months largely due to the successful innovations of the underlying manufacturing technology. This success will leverage US-based manufacturing technology and the associated US-jobs to support. Solaria views the project as highly successful and a great example of SunShot funding enabling the creating of US jobs and the deployment of ubiquitous solar energy products.

14 SOLAR ENERGY↗
DOE OSTI2020

Prediction of Hydroxymethylfurfural Yield in Glucose Conversion through Investigation of Lewis Acid and Organic Solvent Effects

Hydroxymethylfurfural (HMF) is one of the important renewable platform compounds that can be obtained from biomass feedstocks through glucose conversion catalyzed by Brønsted and Lewis acids. However, it is challenging to enhance the HMF yield due to side reactions. In this study, a systematic approach combining theory and experiment was performed to investigate the influence of Lewis acids and organic solvents on the HMF yield. For the Lewis acid effect, a relationship between chemical hardness and experimental HMF yields was found in the rate-limiting step of glucose-to-fructose isomerization for six metal chlorides; HMF production was promoted when the metal chloride and a substrate had a similar chemical hardness. To study the organic solvent effect, a multivariate model was developed based on the insights gained from the mechanistic study of fructose dehydration, to predict HMF yields in a given water-organic cosolvent system. It showed a reliable accuracy in evaluating HMF yields with a mean absolute error (MAE) of 3.0% with respect to experimental HMF yields for 13 solvents, and also predicted HMF yields with a MAE of 10.7% for four new solvents. Chemical interpretation of the model revealed that it is desirable to use a solvent capable of stabilizing the carbocation intermediates with low proton transfer activity and high hydrogen bond basicity, to maximize the HMF yield. This multivariate model informs experimentalists about rational selection of solvents with very low computational costs needed to calculate only six variables for each solvent. It can be expanded to other catalytic systems such as heterogeneous Brønsted–Lewis bifunctional catalysts and enables optimization of reaction conditions to obtain other useful platform molecules through biomass conversion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

A Comprehensive Approach towards Multi-Objective EMI Filter Design Optimization in High-Frequency SiC-Based Motor Drives

With rapid penetration of high-frequency, highdensity power electronics into the industry, controlling the system generated EMI becomes one of the major design challenges. Designing practical optimized EMI filters require simultaneous consideration of multiple aspects - including electromagnetic couplings, magnetic materials, practical component parasitics and their impacts at high-frequencies, and also the overall manufacturing costs. The multi-dimensional nature of the problem often results in overcompensated designs that hurt the system efficiency and power density. This paper focuses on a comprehensive design platform (developed in MATLAB) towards designing high-density, optimized, highly efficient EMI filters by analyzing the generated noise spectrum and evaluating a vast array of potential solutions before outputting an optimized filter solution. The proposed tool includes database-based component selection, optimal topology selection, multistage filter design, overall optimization for volume, mass, cost and total loss. The proposed filter has been thoroughly evaluated in a PSIM simulation environment emulating the hardware in CRD300DA12EXM3, a 300kW three-phase inverter from Wolfspeed with an RL load representing a motor drive application. Furthermore, a 20kHz switching frequency is chosen and impacts of the motor high-frequency characteristics on the generated EMI noise spectrum of the overall system have been analyzed.

42 ENGINEERING↗
DOE OSTI2025

Efficient and Selective Chemical Transformations in Highly Charged and Confined Nanodroplets

The acceleration of chemical reaction rates and the increased product selectivity in microdroplets compared to that in bulk solutions has become a topic of increasing interest that has been extensively characterized by electrospray ionization mass spectrometry (ESI-MS). However, the sources of this acceleration and the detailed relationships between droplet properties and resulting reaction rate acceleration are still under debate. Moreover, droplet properties are governed by multiple interrelated experimental parameters, i.e., electrospray voltage, solution flow rate, etc., which makes it difficult and time-consuming to explore this diverse parameter space using traditional manual experimental or computational approaches. In this work, we developed an automated experimental platform integrating reactions in controlled charged microdroplet environments with ESI-MS characterization and sequential hybrid Bayesian modeling, as well as an optimal experimental design framework, to achieve multidimensional parameter optimization for higher reaction turnover rates, based on a model reaction of tetraethylenepentamine (TEPA) with carbon dioxide. With the current platform, we have achieved automated scans with a range of electrospray voltages and solution flow rates, and determined and optimized parameter settings to achieve increased reaction turnovers. We have also linked this platform to the underlying properties of droplets via a hybrid model incorporating physics, high-level theoretical calculations, and machine learning (ML) approaches. The autonomous platform is broadly applicable to a range of chemical reactions relevant to DOE’s mission in chemical separations, catalysis, and materials synthesis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

SimCCS: An open-source tool for optimizing CO 2 capture, transport, and storage infrastructure

Commercial-scale carbon capture and storage (CCS) technology will involve deploying infrastructure on a massive and costly scale. This effort will require careful and comprehensive planning to ensure that capture locations, storage sites, and the dedicated CO 2 distribution pipelines are selected in a robust and cost-effective manner. Presented in 2009, SimCCS is an optimization model for integrated system design that enables researchers, stakeholders, and policy makers to design CCS infrastructure networks. SimCCS 2.0 is a complete, ground-up redesign that is now a portable software package, useable and shareable by the CCS research, industrial, policy, and public communities. SimCCS 2.0 integrates multiple new capabilities including a refined optimization model, novel candidate network generation techniques, and optional integration with high-performance computing platforms. Accessing user-provided CO 2 source, sink, and transportation data, SimCCS 2.0 creates candidate transportation routes and formalizes an optimization problem that determines the most cost-effective CCS system design. This optimization problem is further solved either through a high-performance computing interface, or through third-party software on a local desktop computing platform. Finally, SimCCS 2.0 employs an open-access geographic information system framework to enable analysis and visualization capabilities. SimCCS 2.0 is written in Java and is publicly available via GitHub to encourage collaboration, modification, and community development.

42 ENGINEERING↗