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At least 865 records · Page 48

Advanced Algal Biofoundries for the Production of Polyurethane Precursors [Abstract]

The collaboration between PNNL, LBNL, and UCSD will develop novel algae bioproduction platforms for the generation of polymer precursors. To achieve this, we will design and construct genetic tools for enhanced production of target chemicals. Biosensors will be developed to detect target chemical production. We will expand our knowledge of metabolic and regulatory systems that control or inhibit biosynthesis of the target molecules, and use this knowledge base to optimize production titers. Finally, we will integrate the knowledge gained from each activity to produce a set of the most promising production strains used to demonstrate the economic viability of producing polymer precursors in algal bioproduction platforms at scale under either heterotrophic or photosynthetic growth.

60 APPLIED LIFE SCIENCES↗

Interregional Transmission Operational Coordination (IRTOC)

This report presents a modeling and evaluation framework developed through the Inter-Regional Transmission Operational Coordination (IRTOC) project to study market-to-market (M2M) congestion management across day-ahead and real-time markets. The framework extends the Sienna platform through Sienna Decomposition, a multi-stage evaluation architecture that enables flexible representation of multiple regions and systematic assessment of alternative market coordination designs. Additional modeling capabilities include reserve deliverability constraints, High-Voltage Direct Current (HVDC) optimization for Alternating Current (AC) congestion management, and several real-time distributed coordination algorithms. Case studies using the RTS-GMLC test system and a large-scale Eastern Interconnection model demonstrate that the framework can evaluate alternative coordination structures and quantify their economic and operational impacts. The proposed framework provides a scalable platform for analyzing inter-regional coordination strategies in large-scale electricity markets.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Genome-Scale Metabolic Model of Caldicellulosiruptor bescii Reveals Optimal Metabolic Engineering Strategies for Bio-based Chemical Production

The extremely thermophilic cellulolytic bacterium, Caldicellulosiruptor bescii , degrades plant biomass at high temperatures without any pretreatments and can serve as a strategic platform for industrial applications. The metabolic engineering of C. bescii , however, faces potential bottlenecks in bio-based chemical productions.

59 BASIC BIOLOGICAL SCIENCES↗

Next-Generation Energy Technologies for Connected and Automated On-Road Vehicles (NEXTCAR) - Predictive Data-Driven Vehicle Dynamics and Powertrain Control: from ECU to the Cloud (Final Scientific/Technical Report)

This project developed and demonstrated a predictive, data-driven vehicle control system designed to improve energy efficiency and driving performance. The team created intelligent self-driving car technology that optimizes fuel and electricity use by proactively planning vehicle actions. By combining Level 4 autonomous driving capabilities with vehicle-to-everything (V2X) connectivity, the system enables vehicles to adjust speed and change lanes in response to traffic signals, surrounding vehicles, and road conditions, reducing unnecessary stops and delays. In testing, the system improved vehicle fuel economy by more than 30% and reduced travel time by approximately 10%, compared to a conventional adaptive cruise control baseline. These results demonstrate the technical effectiveness of using predictive, V2X-enabled strategies, such as traffic light timing and surrounding traffic awareness, to inform real-time vehicle powertrain control and driving behavior. Additionally, a supporting cloud platform was developed to provide dispatch and route recommendations as well as to log vehicle data, demonstrating the economic feasibility of this approach at the fleet level. By optimizing dispatching and routing operations, this technology enables electric fleet operators to use their vehicles more efficiently and reduce reliance on diesel backups, lowering both operating costs and energy consumption. Overall, this project’s technology advances the future of clean, energy-efficient transportation, enabling vehicles and fleets to reduce energy waste, cut costs, and lower emissions through intelligent automation and connectivity.

33 ADVANCED PROPULSION SYSTEMS↗

Enabling a Voice Management System for Space Applications

The sustainable missions beyond Low Earth Orbit (LEO) envisioned for NASA’s Artemis program will require autonomous capabilities. Moreover, Artemis mission crews will need a means to efficiently interact with a spacecraft’s autonomous systems. This interaction can be facilitated by voice and speech communications because voice-based controls enable users to interact hands- and eyes-free, allowing the user to better focus on critical tasks. The goal of our project was to explore the knowledge and technology needed to successfully design effective Voice User Interfaces (VUIs) for autonomous systems utilizing Human Centered Design (HCD) principles. The focus of the human factors’ aspect of engineering, pays close attention to psychological and physiological principles in the development of autonomous crew operation systems. A main objective was to understand how a crew member, through voice interaction, could efficiently and intuitively communicate with a notional autonomous vehicle system manager. This project was a part of the NASA Moon to Mars eXploration Systems and Habitation (M2M X-Hab) 2020 Academic Innovation Challenge. The work from the BLiSS Team, at the University of Michigan, resulted in the design of a system persona, Diego, to which an astronaut may quickly build trust with autonomous systems, to alleviate known stressors on mental health expected during long duration space missions. Optimal software to facilitate integration of the system persona into a reference Lunar orbiting Gateway station was defined. Additionally, a Speech to Text (STT) system and a Graphical User Interface (GUI) that could be implemented in future missions was developed on an Internet of Things (IOT) platform. The Voice User Interface (VUI) design for the M2M X-Hab 2020 project leveraged previous technology developed by the BLiSS team to incorporate a voice-based interface into NASA’s Platform for Autonomous Systems (NPAS) software. This required technologies to convert voice to text, conduct semantic interpretations, and convert responses from the autonomous system to text and to speech; additionally, the spacecraft background noise environment was assessed, a noise mitigation technique was developed, and a relatable personality for the autonomous system was developed in order to facilitate human-like conversations. The success of our effort was largely due to the diversity of the team that included expertise in Space Systems Engineering, Human Computer Interaction, Aerospace Engineering, Computer Science, Biomedical Engineering, and Applied Physics. The diverse perspectives fostered elaborate discussions, resulting in the conception of three main subsystems: (1) User-System, (2) NPAS-System, and (3) Environment-System. The VUI was unique and had to be efficient and intuitive. For this project, 5 subteams were formed, each with a separate objective, Voice Design team, Background Noise Mitigation team, Software Integration team and Graphical User Interface team. The BLiSS team crafted a personality for the VUI to enable human-like conversation and drive user adoption and trust. User surveys were completed and used to help determine the required VUI system personality traits by capturing perspectives and expectations of prospective “Artemis Generation Astronauts”. To further simulate human-like conversations, the system had to be able to quickly interpret user speech and be able to integrate with NASA’s NPAS platform for quick and reliable information transfer. The outcomes of our research were: (1) a working prototype user interface, that is compatible with NASA’s NPAS platform; (2) software that demonstrates the ability of the VUI system to interpret user requests and respond appropriately; (3) the capability to implement fully expanded conversations between user and system using intuitive communication in four request categories; and (4) software and hardware recommendations that optimize the system’s ability to operate in a noisy environment. Our research has laid the foundation for the development of VUI’s for autonomy, and provides a baseline for future VUI developments.

Voice user interface↗

An Improved Boosting to Amplify Signal with Isobaric Labeling (iBASIL) Strategy for Precise Quantitative Single-cell Proteomics

Mass spectrometry (MS)-based proteomics has great potential for overcoming the limitations of antibody-based immunoassays for antibody-independent, comprehensive, and quantitative proteomic analysis of single cells. Indeed, recent advances in nanoscale sample preparation have enabled effective processing of single cells. In particular, the concept of using boosting/carrier channels in isobaric labeling to increase the sensitivity in MS detection has also been increasingly used for quantitative proteomic analysis of small-sized samples including single cells. However, the full potential of such boosting/carrier approaches has not been significantly explored, nor has the resulting quantitation quality been carefully evaluated. Herein, we have further evaluated and optimized our recent boosting to amplify signal with isobaric labeling (BASIL) approach, originally developed for quantifying phosphorylation in small number of cells, for highly effective analysis of proteins in single cells. This improved BASIL (iBASIL) approach enables reliable quantitative single-cell proteomics analysis with greater proteome coverage by carefully controlling the boosting-to-sample ratio (e.g. in general <100×) and optimizing MS automatic gain control (AGC) and ion injection time settings in MS/MS analysis (e.g. 5E5 and 300 ms, respectively, which is significantly higher than that used in typical bulk analysis). By coupling with a nanodroplet-based single cell preparation (nanoPOTS) platform, iBASIL enabled identification of ~2500 proteins and precise quantification of ~1500 proteins in the analysis of 104 FACS-isolated single cells, with the resulting protein profiles robustly clustering the cells from three different acute myeloid leukemia cell lines. This study highlights the importance of carefully evaluating and optimizing the boosting ratios and MS data acquisition conditions for achieving robust, comprehensive proteomic analysis of single cells.

59 BASIC BIOLOGICAL SCIENCES↗

Thermodynamic Modeling and Optimization of the Copper Flash Converting Process Using the Equilibrium Constant Method

Based on the principle of multiphase equilibrium, a mathematical model of the copper flash converting process was established by the equilibrium constant method, and a computational system was developed with the use of MetCal software platform. The mathematical model was validated by comparing simulated outputs, industrial data, and published data. To obtain high-quality blister copper, a low copper content in slag, and increased impurity removal rate, the model was then applied to investigate the effects of the operational parameters [oxygen/feed ratio (R{sub OF}), flux rate (R{sub F}), and converting temperature (T)] on the product weights, compositions, and the distribution behaviors of impurity elements. The optimized results showed that R{sub OF}, R{sub F}, and T should be controlled at approximately 156 Nm{sup 3}/t, within 3.0 pct, and at approximately 1523 K (1250 °C), respectively.

36 MATERIALS SCIENCE↗

An Optimizing Space Data-Communications Scheduling Method and Algorithm with Interference Mitigation, Generalized for a Broad Class of Optimization Problems

NASA's space data-communications infrastructure-the Space Network and the Ground Network-provide scheduled (as well as some limited types of unscheduled) data-communications services to user spacecraft. The Space Network operates several orbiting geostationary platforms (the Tracking and Data Relay Satellite System (TDRSS)), each with its own servicedelivery antennas onboard. The Ground Network operates service-delivery antennas at ground stations located around the world. Together, these networks enable data transfer between user spacecraft and their mission control centers on Earth. Scheduling data-communications events for spacecraft that use the NASA communications infrastructure-the relay satellites and the ground stations-can be accomplished today with software having an operational heritage dating from the 1980s or earlier. An implementation of the scheduling methods and algorithms disclosed and formally specified herein will produce globally optimized schedules with not only optimized service delivery by the space data-communications infrastructure but also optimized satisfaction of all user requirements and prescribed constraints, including radio frequency interference (RFI) constraints. Evolutionary algorithms, a class of probabilistic strategies for searching large solution spaces, is the essential technology invoked and exploited in this disclosure. Also disclosed are secondary methods and algorithms for optimizing the execution efficiency of the schedule-generation algorithms themselves. The scheduling methods and algorithms as presented are adaptable to accommodate the complexity of scheduling the civilian and/or military data-communications infrastructure within the expected range of future users and space- or ground-based service-delivery assets. Finally, the problem itself, and the methods and algorithms, are generalized and specified formally. The generalized methods and algorithms are applicable to a very broad class of combinatorial-optimization problems that encompasses, among many others, the problem of generating optimal space-data communications schedules.

ground stations↗

Automated Nanoflow Two-Dimensional Reversed-Phase Liquid Chromatography System Enables In-Depth Proteome and Phosphoproteome Profiling of Nanoscale Samples

Two-dimensional reversed-phase liquid chromatography (2D RPLC) separations have enabled near-comprehensive proteome profiling of biological systems. However, large samples containing milligram amounts of protein are usually required due to the significant sample losses incurred during offline fractionation. The large sample requirements preclude the application of 2D RPLC to biological systems having sample availability in the nanogram to low-microgram range. To achieve in-depth proteomic studies of trace samples, we have developed an automated nanoflow 2D RPLC platform in which the first dimension high-pH fractionation was performed at 300 nL/min on a 75-µm i.d. capillary column.Each fraction was then fully transferred to a second-dimension nanoLC separation using an autosampler equipped with a custom-machined syringe. In addition to optimizing fractionation conditions, we found that the use of a plastic 96-well plate as collection device and the adding of n-Dodecyl ß-D-Maltoside (0.01%) in the collection buffer can significantly improve sample recovery. We have demonstrated the nanoflow 2D RPLC platform can achieve confident identifications of ~37,000–69,000 unique peptides, corresponding to ~5300–6900 protein groups using only 100 to 1000 ng of HeLa tryptic digest. Furthermore, by integrating phosphopeptide enrichment, the platform can identify as many as ~20,000 phosphopeptides from 100 µg of MCF7 protein digest. Because this platform is assembled from commercially available components, our approach can be readily adapted in other proteomics laboratories.

Mass spectrometry, multidimensional separations, n↗

Producing a glycosylating Escherichia coli cell factory: The placement of the bacterial oligosaccharyl transferase pglB onto the genome

Highlights: • Expressing pglB from the genome creates a “plug and play” E. coli strain for homogeneous recombinant glycoprotein production. • This engineered strain can increase glycosylation efficiency and overall glycoprotein titres. • Parallel Reaction Monitoring can simultaneously confirm glycan addition and quantify absolute glycoprotein titres. Although Escherichia coli has been engineered to perform N-glycosylation of recombinant proteins, an optimal glycosylating strain has not been created. By inserting a codon optimised Campylobacter oligosaccharyltransferase onto the E. coli chromosome, we created a glycoprotein platform strain, where the target glycoprotein, sugar synthesis and glycosyltransferase enzymes, can be inserted using expression vectors to produce the desired homogenous glycoform. To assess the functionality and glycoprotein producing capacity of the chromosomally based OST, a combined Western blot and parallel reaction monitoring mass spectrometry approach was applied, with absolute quantification of glycoprotein. We demonstrated that chromosomal oligosaccharyltransferase remained functional and facilitated N-glycosylation. Although the engineered strain produced less total recombinant protein, the glycosylation efficiency increased by 85%, and total glycoprotein production was enhanced by 17%.

60 APPLIED LIFE SCIENCES↗

Solvent Screening for Separation Processes Using Machine Learning and High-Throughput Technologies

As the chemical industry shifts toward sustainable practices, there is a growing initiative to replace conventional fossil-derived solvents with environmentally friendly alternatives such as ionic liquids (ILs) and deep eutectic solvents (DESs). Artificial intelligence (AI) plays a key role in the discovery and design of novel solvents and the development of green processes. This review explores the latest advancements in AI-assisted solvent screening with a specific focus on machine learning (ML) models for physicochemical property prediction and separation process design. Additionally, this paper highlights recent progress in the development of automated high-throughput (HT) platforms for solvent screening. Finally, this paper discusses the challenges and prospects of ML-driven HT strategies for green solvent design and optimization. To this end, this review provides key insights to advance solvent screening strategies for future chemical and separation processes.

Artificial intelligence↗

Ensemble Simulations on Leadership Computing Systems

Scientific productivity can be enhanced through workflow management tools, relieving large High Performance Computing (HPC) system users from the tedious tasks of scheduling and designing the complex computational execution of scientific applications. This paper presents a study on the usage of ensemble workflow tools to accelerate science using the Summit and Frontier supercomputing systems. The research aims to connect science domain simulations using Oak Ridge Leadership Computing Facility (OLCF) supercomputing platforms with ensemble workflow methods in order to accelerate HPC-enabled discovery and boost scientific impact. We present the coupling, porting and optimization of Radical-Cybertools on three applications: Chroma, NAMD and LAMMPS. The tools augment traditional HPC monolithic runs with a pilot scheduler. Lessons-learned are discussed for physics, biology and materials science applications. We discuss intrinsic limitations of coupling and porting ensemble workflow tools to applications that run on large HPC systems. The origins of technical challenges and their solutions developed during the implementation process are discussed. Data management strategies, OLCF’s policies for ensembles, and natively supported workflow tools are also summarized.

Georgiadou, Antigoni [ORNL] (ORCID:000000020977631↗

Multi-Probe 24A Pre-Shot report

The Multi-Probe Radiography campaign will field a full day of experiments at the Omega EP laser facility. The day consists of shots alternating between Omega EP’s two short-pulse laser beams. The Backlighter beam will generate proton and deuteron beams from 500-800nm CH/CD film targets, and the Sidelighter beam will accelerate electrons to generate x-rays from 0.5mm x 25-50µm Ø Ta wire targets attached to Compound Parabolic Concentrator (CPC) cones. The ion beams shots will optimize CD foil thickness (maximizing ion energy/yield) for the transparency regime for use as the pitcher in a pitcher catcher neutron-generation platform. Several shots will include a LiF catcher within the NTA and this feeds into future neutron radiography work. X-ray shots will be used to characterize the platform established in FY2020B via measurement of electron spectra with and without the Ta wire, and radiography will be conducted at varying laser energies. This will validate PIC electron acceleration modeling while also demonstrating potential for using the x-ray platform for imaging of thicker objects.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Employing MACS/ViBRANT as a Surrogate MARVEL Reactor for Startup Reactivity Tuning and Supervisory Control Processes

Advanced nuclear reactors are a key part of the future of nuclear energy both in the United States and globally. They offer unique benefits for various energy-demanding applications, including use in remote locations, compact size, modular manufacturing, remote monitoring, low and/or variable power rating operation, and reliance on novel technologies to enhance operational safety. To achieve economic feasibility, advanced reactors must significantly reduce their workforces in comparison with the current fleet. Achieving this reduction will occur through reducing staff workloads using technology to achieve autonomous or semi-autonomous operations, demonstrated by comprehensive testing and validation activities. These operations will require both software and hardware platforms during the design and testing phases. While simulations are useful during the design phase, their performance can significantly deviate during actual deployment on hardware. This report presents the outcomes of a collaborative technical initiative between the U.S. Department of Energy (DOE) Microreactor Program (MRP) and Advanced Sensors and Instrumentation (ASI) Program. The collaboration utilized the Microreactor Automated Control System (MACS) hardware platform to bridge the gap between theoretical reactor design and actual startup and control operations. Two key use cases were investigated: facilitating the startup testing period and demonstrating supervisory control. The first use case details the key Microreactor Applications Research Validation and Evaluation (MARVEL) reactor startup physics testing activities conducted using the MACS platform. These activities included drum worth measurements, shutdown margin assessment, temperature feedback analysis, and scram time evaluation, as well as unique testing that would apply to the MARVEL reactor to demonstrate the testing methodologies in a low-risk environment. The MACS platform, serving as a surrogate representation of the MARVEL reactor, proved instrumental in performing these tests. The exercise revealed aspects that led to optimized processes, refined hardware design, and enhanced base software capabilities. By maturing methods and technologies in this manner, the initiative promises to reduce wasted time in the actual on-site reactor deployment effort, thereby saving significant time and resources. The second use case focuses on the development and implementation of supervisory control methods aimed at managing core tilt, which can result from asymmetrical operations or manufacturing imperfections in fuel rods or reactivity control devices. A key objective was to assess and compare the use of artificial intelligence (AI) for supervisory control. The effort aimed to define the role of supervisory control to enhance performance without risking control instability. This effort explored three distinct approaches: rules-based (RB) methods, optimization techniques, and reinforcement learning (RL) algorithms. Each approach was evaluated for its ease of implementation, its usability, and its effectiveness in responding to asymmetries in neutron flux. Comparative analysis of these approaches provided valuable insights into their applicability and effectiveness, offering a robust framework for advanced reactor operations. Together, these two use cases highlight the potential of hardware test beds to help streamline the design, operation, and control of advanced nuclear reactors. This collaborative effort underscores the importance of continued innovation and experimentation in achieving the next generation of safe, reliable, and economically viable nuclear energy solutions.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

Integrated controls-structures design - A practical design tool for modern spacecraft

An integrated controls-structures design approach is developed for a class of flexible spacecraft. The integrated design problem is posed in the form of simultaneous optimization of both the structural and the control design variables. The approach is demonstrated by application to the integrated design of a geostationary platform and to a ground-based flexible structure experiment. The numerical results obtained indicate that the integrated design approach can yield spacecraft designs that have substantially superior performance over the conventional design approach wherein the structural design and control design are performed sequentially.

Maghami, P. G.↗

Martian Radiative Transfer Modeling Using the Optimal Spectral Sampling Method

The large volume of existing and planned infrared observations of Mars have prompted the development of a new martian radiative transfer model that could be used in the retrievals of atmospheric and surface properties. The model is based on the Optimal Spectral Sampling (OSS) method [1]. The method is a fast and accurate monochromatic technique applicable to a wide range of remote sensing platforms (from microwave to UV) and was originally developed for the real-time processing of infrared and microwave data acquired by instruments aboard the satellites forming part of the next-generation global weather satellite system NPOESS (National Polarorbiting Operational Satellite System) [2]. As part of our on-going research related to the radiative properties of the martian polar caps, we have begun the development of a martian OSS model with the goal of using it to perform self-consistent atmospheric corrections necessary to retrieve caps emissivity from the Thermal Emission Spectrometer (TES) spectra. While the caps will provide the initial focus area for applying the new model, it is hoped that the model will be of interest to the wider Mars remote sensing community.

Eluszkiewicz, J.↗

An Efficient Reachability Analysis Algorithm

A document discusses a new algorithm for generating higher-order dependencies for diagnostic and sensor placement analysis when a system is described with a causal modeling framework. This innovation will be used in diagnostic and sensor optimization and analysis tools. Fault detection, diagnosis, and prognosis are essential tasks in the operation of autonomous spacecraft, instruments, and in-situ platforms. This algorithm will serve as a power tool for technologies that satisfy a key requirement of autonomous spacecraft, including science instruments and in-situ missions.

Vatan, Farrokh↗

Air Launch: Examining Performance Potential of Various Configurations and Growth Options

The Advanced Concepts Office at NASA's George C. Marshall Space Flight Center conducted a high-level analysis of various air launch vehicle configurations, objectively determining maximum launch vehicle payload while considering carrier aircraft capabilities and given dimensional constraints. With the renewed interest in aerial launch of low-earth orbit payloads, referenced by programs such as Stratolaunch and Spaceship2, there exists a need to qualify the boundaries of the trade space, identify performance envelopes, and understand advantages and limiting factors of designing for maximum payload capability. Using the NASA/DARPA Horizontal Launch Study (HLS) Point Design 2 (PD-2) as a pointof- departure configuration, two independent design actions were undertaken. Both designs utilized a Boeing 747-400F as the carrier aircraft, LOX/RP-1 first stage and LOX/LH2 second stage. Each design was sized to meet dimensional and mass constraints while optimizing propellant loads and stage delta V splits. All concepts, when fully loaded, exceeded the allowable Gross Takeoff Weight (GTOW) of the aircraft platform. This excess mass was evaluated as propellant/fuel offload available for a potential in-flight propellant loading scenario. Results indicate many advantages such as payload delivery of approximately 47,000 lbm and significant mission flexibility including variable launch site inclination and launch window. However, in-flight cryogenic fluid transfer and carrier aircraft platform integration are substantial technical hurdles to the realization of such a system configuration.

Waters, Eric D.↗