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All sources NASA NTRS DOE OSTI

DOE OSTI2021

Optimal Operations Management of Mobility-on-Demand Systems

The emergence of the sharing economy in urban transportation networks has enabled new fast, convenient and accessible mobility services referred to as Mobilty-on-Demand systems (e.g., Uber, Lyft, DiDi). These platforms have flourished in the last decade around the globe and face many operational challenges in order to be competitive and provide good quality of service. A crucial step in the effective operation of these systems is to reduce customers' waiting time while properly selecting the optimal fleet size and pricing policy. In this paper, we jointly tackle three operational decisions: (i) fleet size, (ii) pricing, and (iii) rebalancing, in order to maximize the platform's profit or its customers' welfare. To accomplish this, we first devise an optimization framework which gives rise to a static policy. Then, we elaborate and propose dynamic policies that are more responsive to perturbations such as unexpected increases in demand. We test this framework in a simulation environment using three case studies and leveraging traffic flow and taxi data from Eastern Massachusetts, New York City, and Chicago. Our results show that solving the problem jointly could increase profits between 1% and up to 50%, depending on the benchmark. Moreover, we observe that the proposed fleet size yield utilization of the vehicles in the fleet is around 75% compared to private vehicle utilization of 5%.

Wollenstein-Betech, Salomón↗

DOE OSTI2019

Design and Application of CSC-Roll for Heavy Reduction of the Bloom Continuous Casting Process

Center quality control is a key issue affecting large-section bloom production and product quality. The central convex roll could avoid the bloom side part and yield a high reduction amount, which benefit the implement of heavy reduction (HR) for bloom continuous casting process without upgrading the mechanical and hydraulic system of withdrawal and straightening machine. In this work, a curving surface convex roll (CSC-Roll), which could significantly improve bloom center quality, was designed by finite element simulation for a 360 mm × 450 mm #45 steel continuous casting bloom. The optimal roll surface shape of the CSC-Roll was determined based on an analysis of the distribution of the reduction amount in the bloom center and the strain of the bloom centerline and inner surface. The calculation results showed that the optimal size of the CSC-Roll was 200 mm in convex platform region length, 30 mm in convex platform region height, and 80 mm in gradient curvature region length. The bloom heat transfer and deformation behavior in the CSC-Roll reduction process were then analyzed. The results showed that in the CSC-Roll HR process, 61.71 pct of the reduction amount could be transmitted to the inner side of the porosity zone. Macrographs of the 360 mm × 450 mm #45 steel continuous casting bloom proved that the bloom center quality was significantly improved after CSC-Roll HR was applied.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Investigating the Chinese postman problem on a quantum annealer

The recent availability of quantum annealers has fueled a new area of information technology where such devices are applied to address practically motivated and computationally difficult problems with hardware that exploits quantum mechanical phenomena. D-Wave annealers are promising platforms to solve these problems in the form of quadratic unconstrained binary optimization. Here we provide a formulation of the Chinese postman problem that can be used as a tool for probing the local connectivity of graphs and networks. We treat the problem classically with a tabu algorithm and simulated annealing, and using a D-Wave device. The efficiency of quantum annealing with respect to the simulated annealing has been demonstrated using the optimal time to solution metric. We systematically analyze computational parameters associated with the specific hardware. Our results clarify how the interplay between the embedding due to limited connectivity of the Chimera graph, the definition of logical qubits, and the role of spin-reversal controls the probability of reaching the expected solution

36 MATERIALS SCIENCE↗

DOE OSTI2025

Corrosion resistant hot melt adhesive to bind metals

Hot melt adhesives (HMAs) play an important role in many industries, and their demand is expected to grow. HMAs don't require any solvents, and their application results in the formation of strong bonds with the substrate upon cooling within seconds. These properties differentiate them from liquid glues and make them preferable for practical application. Currently, commercial HMAs are used in bonding lightweight materials such as paper, polymers, and cartons, and have limited usage in areas necessitating the bonding of heavier objects like metals. Here, in this study, we report a design and testing of versatile platform comprising an ion-coordinating polymer and ionic fillers for performance optimization and understanding of structure–property relationships, enabling the rational design of HMAs with improved adhesion to metal surfaces. All-atom Molecular dynamics (MD) simulations and various characterization methods are used to elucidate the adhesion mechanism in model composite system containing polyethylene oxide mixed with chemically diverse salt particles. The maximum adhesion strength is found in composites with Al(OH) 3 and FeCl 3 fillers. Interestingly, the presence of Al(OH) 3 also provides a multifunctional anticorrosion property as measured electrochemically using the Tafel method. The discovered path to formulations with improved adhesion to metal surfaces constitutes an important step toward advancing HMAs for use in the structural and semi-structural metal work domain.

Adhesive and cohesive forces↗

DOE OSTI2020

Development of a clostridia-based cell-free system for prototyping genetic parts and metabolic pathways

Gas fermentation by autotrophic bacteria, such as clostridia, offers a sustainable path to numerous bioproducts from a range of local, highly abundant, waste and low-cost feedstocks, such as industrial flue gases or syngas generated from biomass or municipal waste. Unfortunately, designing and engineering clostridia remains laborious and slow. The ability to prototype individual genetic part function, gene expression patterns, and biosynthetic pathway performance in vitro before implementing designs in cells could help address these bottlenecks by speeding up design. Unfortunately, a high-yielding cell-free gene expression (CFE) system from clostridia has yet to be developed. Here in this paper, we report the development and optimization of a high-yielding (236 ± 24 μg/mL) batch CFE platform from the industrially relevant anaerobe, Clostridium autoethanogenum. A key feature of the platform is that both circular and linear DNA templates can be applied directly to the CFE reaction to program protein synthesis. We demonstrate the ability to prototype gene expression, and quantitatively map aerobic cell-free metabolism in lysates from this system. We anticipate that the C. autoethanogenum CFE platform will not only expand the protein synthesis toolkit for synthetic biology, but also serve as a platform in expediting the screening and prototyping of gene regulatory elements in non-model, industrially relevant microbes.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Evaluating the Origins of Aerobic Oxidation Catalysis with TAM-3, a MOF with Accessible Co(II) Sites and Large Pores

Metal-organic frameworks (MOFs) are attractive platforms that merge concepts of homogeneous and heterogeneous catalysis. Catalyst design and optimization are enabled by an array of synthetic methods that offer independent control over the local chemical structure of lattice-embedded metal ions (i.e., ligand identity and geometry) and the long-range materials properties (i.e., porosity). Establishing the origin of catalytic activity in MOF-promoted reactions remains a significant challenge: The relative rates of catalyst turnover and substrate diffusion dictate the extent to which interstitial sites are accessible and operational in catalysis. To minimize the contributions of surface sites in catalysis, materials with large pore dimensions are often sought, however, the impact of pore expansion on the origins of catalytic activity is similarly challenging to establish. Here, we describe TAM-3, a Co(II) based MOF with accessible metal sites supported by a facially coordinating tris-tetrazole ligand set. TAM-3 features large channel-like pores (17 × 23 Å) and promotes aerobic C−H oxidation and olefin epoxidation. Using a set of simple kinetics experiments, based on the analysis of kinetic isotope effects and olefin oxidation diastereoselectivities, we demonstrate that despite the large pores, interstitial metal ions do not significantly contribute to the observed substrate oxidation. This study highlights the importance of conducting kinetic experiments to assess the origin of apparent catalytic activity with MOFs and the challenge of harnessing reactive oxidants with microporous catalyst materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Using genetic algorithms to systematically improve the synthesis conditions of Al-PMOF

The synthesis of metal-organic frameworks (MOFs) is often complex and the desired structure is not always obtained. In this work, we report a methodology that uses a joint machine learning and experimental approach to optimize the synthesis conditions of Al-PMOF (Al 2 (OH) 2 TCPP) [H 2 TCPP = meso-tetra(4-carboxyphenyl)porphine], a promising material for carbon capture applications. Al-PMOF was previously synthesized using a hydrothermal reaction, which gave a low throughput yield due to its relatively long reaction time (16 hours). Here, we use a genetic algorithm to carry out a systematic search for the optimal synthesis conditions and a microwave-based high-throughput robotic platform for the syntheses. We show that, in just two generations, we could obtain excellent crystallinity and yield close to 80% in a much shorter reaction time (50 minutes). Moreover, by analyzing the failed and partially successful experiments, we could identify the most important experimental variables that determine the crystallinity and yield.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Secondary Use-Plug-and-Play Energy Storage System Composed of Multiple Energy Storage Technologies

Low-cost, grid-connectable energy storage technologies represent a significant challenge for the electric grid of the future. Energy storage technologies are in rapid development with targets to reduce the storage medium cost. However, a significant cost to deployment also comes in the integration. This paper presents the development of a plug-and-play system for supporting secondary use multiple battery systems into a single grid connectable unit. Results of the system design are demonstrated in a controller hardware in the loop (CHIL) platform. Simulations of two energy storage systems operating in parallel and dispatched optimally are presented.

Starke, Michael↗

DOE OSTI2018

Resilient Cyber Infrastructure for the Minimum Wind Curtailment Remedial Control Scheme

Integration of Distributed Energy Resources (DER) has been significantly increasing in the electric power grid. One of the predominant renewable energy sources, wind energy, possess a significant challenge for grid operations, due to its intermittency, uncertainty and variability. In changing operating conditions with wind uncertainty, part of wind may need to be curtailed for the safe utilization of the transmission system. In order to minimize the wind power curtailment and to keep the power flow on a transmission line under limits, a cyber resilient Distributed Remedial Action Scheme (DRAS) is developed in this paper. The RAS is formulated as an optimization problem, considering the real power flow constraints of the transmission lines and given wind variability. In this paper, DRAS is developed to operate even with failures in the computing nodes to make it cyber-resilient. Distributed simplex algorithm is used for optimization in the distributed RAS. The DRAS is implemented in a decentralized platform called Resilient Information Architecture Platform for Smart Grid (RIAPS) to enable cyber resiliency of DRAS. The effectiveness of the proposed approach is validated through offline simulations of the New England 39 bus system and online simulations of IEEE 14 bus test system. In conclusion, a cyber physical test bed utilizing Real Time Digital Simulator (RTDS), Phasor Measurement Units (PMUs), and BeagleBones has been used for the online simulation and validation of the developed cyber-resilient RAS.

17 WIND ENERGY↗

DOE OSTI2023

QASMBench: A Low-Level Quantum Benchmark Suite for NISQ Evaluation and Simulation

The rapid development of quantum computing (QC) in the NISQ era urgently demands a low-level benchmark suite and insightful evaluation metrics for characterizing the properties of prototype NISQ devices, the efficiency of QC programming compilers, schedulers and assemblers, and the capability of quantum system simulators in a classical computer. In this work, we fill this gap by proposing a low-level, easy-to-use benchmark suite called QASMBench based on the OpenQASM assembly representation. It consolidates commonly used quantum routines and kernels from a variety of domains including chemistry, simulation, linear algebra, searching, optimization, arithmetic, machine learning, fault tolerance, cryptography, and so on, trading-off between generality and usability. To analyze these kernels in terms of NISQ device execution, in addition to circuit width and depth, we propose four circuit metrics including gate density, retention lifespan, measurement density, and entanglement variance, to extract more insights about the execution efficiency, the susceptibility to NISQ error, and the potential gain from machine-specific optimizations. Applications in QASMBench can be launched and verified on several NISQ platforms, including IBM-Q, Rigetti, IonQ and Quantinuum. For evaluation, we measure the execution fidelity of a subset of QASMBench applications on 12 IBM-Q machines through density matrix state tomography, comprising 25K circuit evaluations. In addition we also compare the fidelity of executions among the IBM-Q machines, the IonQ QPU and the Rigetti Aspen M-1 system.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Exploring Benchmarks for Self-Driving Labs using Color Matching

Self Driving Labs (SDLs) that combine automation of experimental procedures with autonomous decision making are gaining popularity as a means of increasing the throughput of scientific workflows. The task of identifying quantities of supplied colored pigments that match a target color, the color matching problem, provides a simple and flexible SDL test case, as it requires experiment proposal, sample creation, and sample analysis, three common components in autonomous discovery applications. We present a robotic solution to the color matching problem that allows for fully autonomous execution of a color matching protocol. Our solution leverages the WEI science factory platform to enable portability across different robotic hardware, the use of alternative optimization methods for continuous refinement, and automated publication of results for experiment tracking and post-hoc analysis.

Artificial intelligence↗

DOE OSTI2018

Heila Microgrid Controller Validation Using CUBE: Cooperative Research and Development Final Report, CRADA Number CRD-17-663

This CRADA facilitates validation of the Heila IQ controller (microgrid controller) using NREL's Consolidated Utility Base Energy (CUBE) hardware platform. The CUBE microgrid platform includes power electronics and controls to integrate PV, battery, and diesel generator assets to serve a common load. The Heila IQ controller includes algorithms to manage and optimize these assets and will be used as the dispatch-level controller for the CUBE. Heila will use the CUBE platform in a number of use cases that will benefit commercialization of the Heila IQ controller.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2025

Fast and High-Fidelity SNAP Gate Enabled by Optimal Control on Floquet-Engineered Systems

Superconducting cavities with high quality factors, coupled to nonlinear ancilla, provide a promising platform for quantum information storage and manipulation. However, the commonly used selective number-dependent arbitrary phase (SNAP) gate faces significant challenges in ultra-high-coherence cavities, where weak dispersive shifts result in prolonged gate times. Here, we propose a protocol to achieve high-fidelity SNAP gates that are orders of magnitude faster than the standard implementation, breaking the speed limit set by the bare dispersive shift. This enhancement is achieved by dynamically amplifying dispersive coupling via sideband interactions, followed by quantum optimal control on Floquet-engineered systems. Additionally, we present a unified perturbation theory that explains both the gate acceleration and associated benign drive-induced decoherence, corroborated by Floquet\textendash Markov simulations. These results pave the way for the experimental realization of high-fidelity control of weakly coupled, high-coherence cavities, and expanding the scope of optimal control techniques in Floquet quantum systems.

You, Xinyuan [Fermilab]↗

DOE OSTI2025

A Data Science and Machine Learning Platform Supporting Large Particle Accelerator Control and Diagnostics Applications Final Report: SBIR Initial Phase II DE-SC0022583

The Machine Learning Data Platform (MLDP) is a product providing full-stack support for data science, Machine Learning, and Artificial Intelligence (ML/AI) applications at particle accelerator and large experimental physics facilities. It supports ML/AI applications from front-end, high-speed acquisition of heterogeneous, time-series data, through data archiving and management, to back-end analysis. The MLDP embodies a “data-science ready” platform for data analysis and ML/AI applications in diagnosis, modelling, control, and optimization of these facilities. It provides data scientists and applications a consistent, datacentric interface to archive data standardizing implementation and deployment of ML/AI algorithms to different operations configurations within the same facility, or between facilities. Being an open-source, public-domain project, the MLDP is intended for broadest possible impact by increasing accessibility and minimizing the required expertise for installation and operation. The MLDP can also be deployed at user facilities for experimental data collection, archiving, and analysis. It is capable of acquisition and archiving of heterogeneous data from experimental equipment (e.g., images, arrays, structures, etc.) along with system hardware configurations (e.g., scalars, tables), control system process variables, and any metadata required for provenance. Thus, the MLDP can manage experimental data through its entire lifecycle, from acquisition and archiving, through analysis and investigation, to release and final publication.

43 PARTICLE ACCELERATORS↗

DOE OSTI2026

An Intermediate-Scale Version of the Volturnus + Floating Offshore Wind Turbine Platform Concept in a Real Ocean Environment with an Operating Turbine off the Coast of Maine (Final Scientific/Technical Report)

This project was undertaken to advance the technical readiness and commercial viability of a next-generation, industrialized concrete floating foundation for offshore wind turbines called VolturnUS +. The design objective is to deliver a platform that is lower cost, faster to manufacture, simpler to deploy, and optimized for domestic supply chains and local workforce participation. To enable project financing and commercial adoption, an at-sea demonstration under representative operating conditions was required and therefore this project aimed to deploy a ¼-scale VolturnUS+ prototype offshore the Coast of Maine.

17 WIND ENERGY↗

DOE OSTI2024

Optimal Design Approaches for Cost-Effective Manufacturing and Deployment of Chemical Process Families with Economies of Numbers

Developing methods for rapid, large-scale deployment of carbon capture systems is critical for meeting climate change goals. Optimization-based decisions can be employed at the design and manufacturing phases to minimize costs of deployment and operation. Manufacturing standardization results in significant cost savings due to economies of numbers. Building off previous work, we present a process family design approach to design a set of carbon capture systems while explicitly including economies of numbers savings within the formulation. Our formulation optimizes both the number and characteristics of the common components in the platform and simultaneously designs the resulting set of carbon capture systems. Savings from economies of numbers are explicitly included in the formulation to determine the number of components in the platform. We show and discuss the savings we gain from economies of numbers.

Stinchfield, Georgia↗

NASA NTRS1981

Science and Applications Space Platform (SASP) End-to-End Data System Study

The capability of present technology and the Tracking and Data Relay Satellite System (TDRSS) to accommodate Science and Applications Space Platforms (SASP) payload user's requirements, maximum service to the user through optimization of the SASP Onboard Command and Data Management System, and the ability and availability of new technology to accommodate the evolution of SASP payloads were assessed. Key technology items identified to accommodate payloads on a SASP were onboard storage devices, multiplexers, and onboard data processors. The primary driver is the limited access to TDRSS for single access channels due to sharing with all the low Earth orbit spacecraft plus shuttle. Advantages of onboard data processing include long term storage of processed data until TRDSS is accessible, thus reducing the loss of data, eliminating large data processing tasks at the ground stations, and providing a more timely access to the data.

Crawford, P. R.↗

NASA NTRS1988

Analytical investigation of the dynamics of tethered constellations in earth orbit

This Quarterly Report on Tethering in Earth Orbit deals with three topics: (1) Investigation of the propagation of longitudinal and transverse waves along the upper tether. Specifically, the upper tether is modeled as three massive platforms connected by two perfectly elastic continua (tether segments). The tether attachment point to the station is assumed to vibrate both longitudinally and transversely at a given frequency. Longitudinal and transverse waves propagate along the tethers affecting the acceleration levels at the elevator and at the upper platform. The displacement and acceleration frequency-response functions at the elevator and at the upper platform are computed for both longitudinal and transverse waves. An analysis to optimize the damping time of the longitudinal dampers is also carried out in order to select optimal parameters. The analytical evaluation of the performance of tuned vs. detuned longitudinal dampers is also part of this analysis. (2) The use of the Shuttle primary Reaction Control System (RCS) thrusters for blowing away a recoiling broken tether is discussed. A microcomputer system was set up to support this operation. (3) Most of the effort in the tether plasma physics study was devoted to software development. A particle simulation code has been integrated into the Macintosh II computer system and will be utilized for studying the physics of hollow cathodes.

Lorenzini, Enrico C.↗