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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

AutoLabs: cognitive multi-agent systems with self-correction for autonomous chemical experimentation

The automation of chemical research through self-driving laboratories (SDLs) promises to accelerate scientific discovery, yet the reliability and granular performance of the underlying AI agents remain critical, under-examined challenges. In this work, we introduce AutoLabs, a self-correcting, multi-agent architecture designed to autonomously translate natural-language instructions into executable protocols for a high-throughput liquid handler. The system engages users in dialogue, decomposes experimental goals into discrete tasks for specialized agents, performs tool-assisted stoichiometric calculations, and iteratively self-corrects its output before generating a hardware-ready file. We present a comprehensive evaluation framework featuring five benchmark experiments of increasing complexity, from simple sample preparation to multi-plate timed syntheses. Through a systematic ablation study of 20 agent configurations, we assess the impact of reasoning capacity, architectural design (single- vs. multi-agent), tool use, and self-correction mechanisms. Our results demonstrate that agent reasoning capacity is the most critical factor for success, reducing quantitative errors in chemical amounts (nRMSE) by over 85% in complex tasks. When combined with a multi-agent architecture and iterative self-correction, AutoLabs approaches expert-authored reference procedures on the benchmark (F1-score > 0.89) on challenging multi-plate syntheses. These findings establish a clear blueprint for developing robust and trustworthy AI partners for autonomous laboratories, highlighting the synergistic effects of modular design, advanced reasoning, and self-correction to ensure both performance and reliability in high-stakes scientific applications. Code: https://github.com/pnnl/autolabs

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

Development of Oxy-fuel Combustion Turbines with CO 2 Dilution for Supercritical Carbon Dioxide (sCO 2 ) Based Power Cycles - Phase I Topical Final Report

Supercritical Carbon Dioxide (sCO 2 ) power cycles are a transformational technology for the energy industry, providing a higher efficiency heat source energy conversion for conventional and alternative energy sources. The novel cycle significantly reduces capital costs because of smaller equipment footprints and design modularity and allows for rapid cyclic load and source following to balance solar and wind energy power swings. This topical report outlines progress made to develop an oxy-fuel combustion turbine to significantly improve the state-of-the-art for thermal efficiency and results in a high-pressure stream of CO 2 simplifying carbon capture making the power plant emission-free.The team of Southwest Research Institute® (SwRI®), General Electric Global Research Center (GE-GRC), 8 Rivers, Air Liquide, Electric Power Research Institute, Inc. (EPRI), and Georgia Tech are working to develop a conceptual design for a sCO 2 , coal syngas or natural gas-fired oxy-fuel turbine in the 150-300 MWe size range capable of 1,200°C turbine inlet temperature at 300 bar and exhaust temperatures in the 725-775°C range. This turbine will require cooled turbine nozzles and blades as well as advanced thermal management systems to accommodate these high temperatures. The team represents world leaders in the development of sCO 2 power technologies and has received numerous Department of Energy (DOE) and industry-funded projects to implement pilot scale sCO 2 power cycle component and system level equipment, as well as MW scale pilot plants.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2015

Status Update of the Majorana Demonstrator Neutrinoless Double Beta Decay Experiment

Neutrinoless double beta decay searches play a major role in determining neutrino properties, in particular the Majorana or Dirac nature of the neutrino and the absolute scale of the neutrino mass. The consequences of these searches go beyond neutrino physics, with implications for Grand Unification and leptogenesis. The Majorana Collaboration is assembling a low-background array of high purity Germanium (HPGe) detectors to search for neutrinoless double-beta decay in 76 Ge. The Majorana Demonstrator, which is currently being constructed and commissioned at the Sanford Underground Research Facility in Lead, South Dakota, will contain 44 kg (30 kg enriched in 76 Ge) of HPGe detectors. Its primary goal is to demonstrate the scalability and background required for a tonne-scale Ge experiment. This is accomplished via a modular design and projected background of less than 3 cnts/tonne-yr in the region of interest. The experiment is currently taking data with the first of its enriched detectors.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Advanced Bottom‐Up Engineering of Living Architectures

Abstract Bottom‐up tissue engineering is a promising approach for designing modular biomimetic structures that aim to recapitulate the intricate hierarchy and biofunctionality of native human tissues. In recent years, this field has seen exciting progress driven by an increasing knowledge of biological systems and their rational deconstruction into key core components. Relevant advances in the bottom‐up assembly of unitary living blocks toward the creation of higher order bioarchitectures based on multicellular‐rich structures or multicomponent cell–biomaterial synergies are described. An up‐to‐date critical overview of long‐term existing and rapidly emerging technologies for integrative bottom‐up tissue engineering is provided, including discussion of their practical challenges and required advances. It is envisioned that a combination of cell–biomaterial constructs with bioadaptable features and biospecific 3D designs will contribute to the development of more robust and functional humanized tissues for therapies and disease models, as well as tools for fundamental biological studies.

Gaspar, Vítor M.↗
DOE OSTI2012

Innovative Process for Comprehensive Treatment of Liquid Radioactive Waste - 12551

This paper presents the results of research activities aimed at creation of a principally new LRW distilling treatment method. The new process is based on the instantaneous evaporation method widely used in distillation units. The main difference of the proposed process is that the vapor condensation is conducted without using heat exchangers in practically ideal mode by way of direct contacting in a vapor-liquid system. This process is conducted in a specially designed ejector unit in supersonic mode. Further recuperation of excess heat of vaporization is carried out in a standard heat exchanger. Such an arrangement of the process, together with use of the barometric height principle, allows to carry out LRW evaporation under low temperatures, which enables to use excess heat from NPS for heating initial LRW. Thermal calculations and model experiments have revealed that, in this case, the expenditure of energy for LRW treatment by distilling will not exceed 3 kilowatt-hour/m{sup 3}, which is comparable with the reverse-osmosis desalination method. Besides, the proposed devices are 4 to 5 times less metal-intensive than standard evaporation units. These devices are also characterized by versatility. Experiments have revealed that the new method can be used for evaporation of practically any types of LRW, including those containing a considerable amount of oil products. Owing to arrangement of the evaporation process at low temperatures, the new devices are not sensitive to 'scale formation'. This is why, they can be used for concentrating brines of up to 500-600 g/l. New types of such evaporating devices can be required both for LRW treatment processes at nuclear-power plants under design and for treating 'non-standard' LRW with complex physicochemical and radionuclide composition resulting from the disaster at the Fukushima I Nuclear Power Plant.) As a result of accidents at nuclear energy objects, as it has recently happened at NPP 'Fukushima-1', personnel faces the necessity to take emergency measures and to use marine water for cooling of reactor zone in contravention of the technological regulations. In these cases significant amount of liquid radioactive wastes of complex physicochemical composition is being generated, the purification of which by traditional methods is close to impossible. According to the practice of elimination of the accident after-effects at NPP 'Fukushima' there are still no technical means for the efficient purification of liquid radioactive wastes of complex composition like marine water from radionuclides. Therefore development of state-of-the-art highly efficient facilities capable of fast and safe purification of big amounts of liquid radioactive wastes of complex physicochemical composition from radionuclides turns to be utterly topical problem. Cesium radionuclides, being extremely dangerous for the environment, present over 90% of total radioactivity contained in liquid radioactive wastes left as a result of accidents at nuclear power objects. For the purpose of radiation accidents aftereffects liquidation VNIIHT proposes to create a plant for LRW reprocessing, consisting of 4 major technological modules: Module of LRW pretreatment to remove mechanical and organic impurities including oil products; Module of sorption purification of LWR by means of selective inorganic sorbents; Module of reverse osmotic purification and desalination; Module of deep evaporation of LRW concentrates. The first free modules are based on completed technological and designing concepts implemented by VNIIHT in the framework of LLRW Project in the period of 2000-2001 in Russia for comprehensive treatment of LWR of atomic fleet. These industrial plants proved to be highly efficient and secure during their long operation life. Module of deep evaporation is a new technological development. It will ensure conduction of evaporation and purification of LRW of different physicochemical composition, including those containing hardness salts, resulted in generation of LRW concentrate 300-600 g/l. The method is based on utilization of supersonic ejector for intensification of thermal physic processes and performance of evaporation in brine recycling mode. All proposed technological solutions are totally based on patented Russian developments. Proposed work will allow to construct modular plants, which will be totally prepared for efficient purification of any types of liquid radioactive wastes from radionuclides in case of force majeure. According to proposed scheme concentration level of cesium radionuclides in safe-for-storage form will make up not less than 5000. With respect to purification from cesium radionuclides of liquid radioactive wastes stored at NPP 'Fukushima' about 10 t of inorganic sorbents, loaded in 160 protective filter-containers, will be required for solving this problem. The amount of secondary wastes will be reduced approximately in 5 times in comparison with traditional schemes, applied in purification of secondary LRW of Fukushima-1 by Areva (France) and Kurion (USA) companies. All units of modular plants will be constructed and manufactured as totally automated, providing their twenty-four-hour safe operation. Modular design will ensure efficiency and let optimize the costs of secondary LRW treatment. In order to ensure off-line operation in emergency conditions the plant should be equipped with auxiliary modules: energy and ventilation ones. Under normal conditions these modules can be stored in 'mothballed' condition at special warehouses under the authority of federal bodies. It will be reasonable to choose required transport facilities, the most suitable for transportation of modules to target destination beforehand, using vessel classification list.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Super-expansive thermo-reversible interstitial solid solution of nanocrystal superlattices with mesogens

Designing superlattices of nanocrystals to mimic and extend the properties of atomic crystals has been a long-standing motivation in materials chemistry. Interstitial solid solutions, such as steel, are well-studied atomic lattices in which mobile components move among the interstices. These materials exhibit unique properties, including reversible structural changes and phase transitions. Interstitial solid solutions possess unique dynamic structures and reversible responses, which motivate the creation of their colloidal equivalents. Here, in this study, we report a fully thermo-reversible colloidal interstitial solid solution by combining liquid crystals and nanocrystals functionalized with promesogenic ligands. Mesogen molecules fill and diffuse among the interstices of a superlattice, resulting in a super-large thermal expansivity. The approach uses a modular design of interparticle interactions, allowing control of interparticle distance, microstructure and transition between crystallographic forms.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Improved Large Aperture Collector Manufacturing

The parabolic trough is the most established CSP technology and carries a long history of design experimentation dating back to the 1970’s. This has led to relatively standardized collector architectures, a maturing global supply chain, and a fairly uniform cost reduction strategy. Abengoa has deployed more than 1,500MWe of CSP troughs across several countries and has built and tested full-scale prototypes of many R&D concepts. The latest trough R&D efforts involved efforts to internalize non-CSP industry experience including a preliminary DFMA principles review done with Boothroyd Dewhurst, a construction literature review by the Arizona State University School of Construction Management, and two more focused manufacturing engineering subcontracts done by Ricardo Inc. and the nonprofit Edison Welding Institute. The first two studies highlighted strong opportunities in lowering part count, standardizing components and fasteners, developing modular designs to support prefabrication and automation, and devising simple, error-proof manual assembly methods. These principles have delivered major new cost savings in otherwise “mature” products in analogous industries like automotive, truck trailer manufacture, metal building fabrication, and shipbuilding. For this reason, they were core in the design development of the SpaceTube® collector, and arguably key to its early successes. The latter two studies were applied specifically to the first-generation SpaceTube® design and were important in setting the direction of the present SolarMat project. These studies developed a methodology to analyze the costs of manufacture and assembly, and identify new tooling concepts for more efficient manufacture. Among the main opportunities identified in these studies were the automated mirror arm manufacturing concept and the need for a less infrastructure-intensive assembly line, both of which now form central pillars of the SolarMat project strategy. These new designs will be supported by new technology in the area of quality control inspection, in which state of the art photogrammetry and laser CMM inspection methods will be used to qualify parts and assemblies, and in which the recently-developed Absorber Reflection Method will enable in-line quality control inspection of modules produced by the new high-rate production line.

14 SOLAR ENERGY↗
DOE OSTI2021

The Fast Modular Reactor (FMR) - Development Plan of a New 50 MWe Gas-cooled Fast Reactor

General Atomics Electromagnetic Systems (GA-EMS) will be developing a new 50-megawatt electric (MWe) fast modular reactor (FMR), under the Department of Energy’s (DOE’s) Advanced Reactor Demonstration Program (ARDP), Advanced Reactor Concepts 2020 (ARC-20) development pathway, that provides safe, carbon free electricity, capable of incremental capacity additions. A modular design allows it to be factory-built and assembled on-site to keep the cost of capital low, while the dry-cooling facilitates siting to complement renewables in nearly any location. GA-EMS is committed to commercialization of the proposed reactor, with a demonstration by 2030, and deployment by the mid-2030s. The ultimate goal of the design is to develop flexible and dispatchable carbon-free power source for the 2035 US electricity market. The GAEMS- led team will verify that simplified characteristics (e.g., inert helium gas coolant, pellet-loaded fuel rod, installation-free of heat sink requirements, small and passive heat removal systems) of the FMR will result in a safe, maintainable, cost-effective, distributed, nuclear energygenerating station. Three key specific project objectives for the next three years include: Development of the conceptual design of the 50- MWe FMR plant, Achievement of Technology Readiness Level (TRL) 4 for key system and component technologies through in-pile tests, out-of-pile tests, and numerical experiments; and Development of robust techno-economic analysis (TEA) and pre-application licensing approach necessary for timely demonstration and eventual commercialization.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

Development of a 300 MWe Utility Scale Oxy-Fuel sCO2 Turbine

A 300 MWe direct-fired supercritical carbon dioxide (sCO2) oxy-fuel turbine is being developed that will burn natural gas-fired, coal syngas and even hydrogen mixtures capable of 1,150ºC turbine inlet temperature at 300 bar. This design will significantly improve the state-of-the-art for thermal efficiency and results in a high-pressure stream of CO2 with 98%+ carbon capture, making the power plant near emission-free and more efficient than Natural Gas Combined Cycle (NGCC) plants with carbon capture. This power plant will be capable of burning coal through gasification and cleanup of the synthesis gas (syngas). sCO2 power cycles are a transformational technology for the energy industry, providing higher efficiency heat source energy conversion for conventional and alternative energy sources. This novel cycle significantly reduces capital costs because of smaller equipment footprints, design modularity, and allows for rapid cyclic load and source following to balance solar and wind energy power swings. Oxy-fuel sCO2 cycles take these advantages even further, utilizing higher firing temperatures, improved efficiency, and simpler carbon capture strategies. This turbine will require cooled turbine nozzles and blades as well as advanced thermal management systems to accommodate these high temperatures. The cooled blade heat transfer correlations required new test programs at higher Reynolds number than air-breathing gas turbines for impingement, serpentine, and pin-fin regions. Novel blade optimization was performed to maximize aerodynamic efficiency, while minimizing cooling flows. A turbine layout was generated utilizing individual combustor cans with cooled liners feeding into a 6-stage axial flow turbine with cooled stator nozzles and turbine blades. The case design and thermal management preliminary design will be described.

Moore, Jeffrey↗
DOE OSTI2021

Development of an Advanced Hydrogen Energy Storage System using Aerogel in a Cryogenic Flux Capacitor (CFC)

The Cryogenic Flux Capacitor (CFC) is a cold, dense fluid storage core with integrated design features that afford the designer flexibility and provide new possibilities for the storage and discharge of energy. The stored energy, in this case, is represented by hydrogen physically bonded within the nanoscale pores within the aerogel composite blanket material, and the process of bonding or debonding is governed by principles of physical adsorption (physisorption) and thermodynamics. The large surface area afforded by the nanoporous aerogel (~1,000 m2/g) allows for storage densities close to, or in some cases exceeding, that of normal boiling point liquids. Its performance easily exceeds what can be achieved via ambient temperature, high-pressure gas storage for an equivalent volume. CFC storage is predicted to be easily scalable, is constructed from readily available commercial materials, lends itself to a range of pressure applications, and is geometry insensitive. They can also be used in modular designs, affording even more flexibility for potential deployment. In addition to the aerogel adsorbent within the blanket material, a CFC includes thermally-conductive membrane layered with the aerogel, which acts as a large-area, quick-response thermal management system. The system conducts heat throughout the volume to discharge the unit quickly. This same thermal management system can also be connected to a refrigeration system, or cold fluid such as liquid nitrogen (LN2), to facilitate the charging up of the CFC. The charging and discharging can be performed as fast or as slow as desired by controlling the cooling or heating supplied to the CFC.

08 HYDROGEN↗
DOE OSTI2025

Probabilistic Deliverability Assessment of Distributed Energy Resources via Scenario-Based AC Optimal Power Flow

As electric grids decarbonize and distributed energy resources (DERs) become increasingly prevalent, interconnection assessments must evolve to reflect operational variability and control flexibility. This paper highlights key modeling limitations observed in practice and reviews approaches for modeling uncertainty. It then introduces a Probabilistic Deliverability Assessment (PDA) framework designed to complement and extend existing procedures. The framework integrates scenario-based AC optimal power flow (AC OPF), corrective dispatch, and optional multi-temporal constraints. Together, these form a structured methodology for quantifying DER utilization, deliverability, and reliability under uncertainty in load, generation, and topology. Outputs include interpretable metrics with confidence intervals that inform siting decisions and evaluate compliance with reliability thresholds across sampled operating conditions. A case study on Puerto Rico’s publicly available bulk power system model demonstrates the framework’s application using minimal input data, consistent with current interconnection practice. Across staged fossil generation retirements, the PDA identifies high-value DER sites and regions requiring additional reactive power support. Results are presented through mean dispatch signals, reliability metrics, and geospatial visualizations, demonstrating how the framework provides transparent, data-driven siting recommendations. The framework’s modular design supports incremental adoption within existing workflows, encouraging broader use of AC OPF in interconnection and planning contexts.

14 SOLAR ENERGY↗
DOE OSTI2023

Tandem Mass-Selective Cryogenic Digital Ion Traps for Enhanced Cluster Formation

We present the implementation of tandem mass-selective cryogenic ion traps, designed to enhance the range of ion processing capabilities that can be performed prior to spectroscopic interrogation. We show that both the formation of ion clusters and mass filtering steps can be combined in a single cryogenic linear quadrupole ion trap driven by RF square waves. Mass filtering and mass isolation can be achieved by manipulation of the RF frequency and duty cycle. Very importantly, this scheme circumvents the need for high-amplitude RF voltages that can be incompatible with typical cryogenic ion processing conditions. In addition, proper adjustment of the stability boundaries during the clustering process allows for the preferential formation of a specific cluster size rather than a broad distribution of sizes. Lastly, we show that a specific cluster size can be formed, mass-selected, and then transferred to another ion trap for a second completely separate ion processing step. Furthermore, the instrumentation and modular design developed here expand the scope of ionic species and clusters that can be accessed by processing electrosprayed ions.

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

Thermal Storage Glass Development

Halotechnics, Inc.develops novel high temperature fluids and phase change materials, and designs modular salt storage tanks, as well as full thermal systems, for waste heat capture, grid-scale electricity storage, concentrated solar power, and other energy and efficiency applications. Using combinatorial chemistry techniques, Halotechnics has developed a variety of salts and other oxide compositions. Halotechnics’s molten fluids product line offers salt and oxide glass products that can be used in temperature ranges spanning from 50°C to 1200°C. The properties of these various materials are appropriate for both sensible heat and latent heat thermal energy storage applications. The thermal energy stored in the materials can be converted to electricity by various methods, including direct conversion using thermoelectric generation, or indirectly, by heating steam and running a turbine. LBL has materials characterization equipment that is useful for Halotechnics to achieve its materials development goals. Through the CalCharge agreement with LBL, Halotechnics worked with an LBL principal investigator to access this equipment, and to jointly design experimental procedures for unusual measurements.

25 ENERGY STORAGE↗
DOE OSTI2013

Crowder College MARET Center (Final Scientific Technical Report)

Following decades of success in solar energy projects, the Missouri Legislature designated Crowder College in 1992 as the State's renewable energy education center. The resulting Missouri Alternative and Renewable Energy Technology (MARET) Center is recognized internationally for its contributions to the energy field. The mission of the MARET Center is to expand renewable energy throughout the region with education, applied research, and economic development. Educational programs include certification and transfer degrees encompassing green construction, solar thermal energy, solar electricity, and wind. The MARET Center also assists in new product development and other business support services in renewable energy. The Missouri Alternative and Renewable Energy Technology (MARET) Center at Crowder College hopes to eventually develop a 27,500 ft 2 facility as a living laboratory to support solar and other renewable and sustainable energy development through professional degrees, new product development and commercialization, renewable energy business incubation, and consumer education. The primary objective of the current project was to complete Stage One of this building, with solar, wind, and geothermal technologies installed to power its 9,216 ft 2 office, classroom, and research spaces. This MARET Center includes a modular roof structure that permits both solar module mounting and daylighting, PV/thermal hybrid modules pioneered in Crowder Solar Decathlon homes, modular electrical management subsystems; and modular delivery systems for heating and cooling the structure. The MARET Facility will operate as a Net Positive energy building, consistently producing surplus energy for distributed generation on the utility grid. The modular design of the energy systems within the building is to serve as a scalable and repeatable model for a wide variety of building applications and climate zones. As a living laboratory of renewable energy, exploring and validating new applications of solar and other renewable technologies, the MARET Facility will house a wide variety of programs which will advance implementation of renewable energy throughout the region. These program goals include; Curriculum in renewable energy for pre-engineering transfer programs; Certification and degree programs for technical degrees for Energy Efficiency, Wind, Photovoltaic and Solar Thermal professionals; Short courses and workshops for building management and design professionals; Public education and demonstration projects in renewable energy through conferences and K-12 educational outreach; Technical degree offering in building construction incorporating “best practices” for energy efficiency and renewables; and Business incubators for new renewable energy businesses and new product development. The new MARET facility will support the mission of the US Department of Energy (DOE) Solar Program, “to improve America’s security, environmental quality, and economic prosperity through public-private partnerships that bring reliable and affordable solar energy technologies to the marketplace,” through a variety of educational and business assistance programs. Further, technical innovations planned for the MARET facility and its applied research activities will advance the Solar Program strategic goals to “reduce the cost of solar energy to the point it becomes competitive in relevant energy markets (e.g., buildings, power plants) and for solar technology to enable a sustainable solar industry.” Overarching Goals relative to program needs, future expansion, flexibility, quality of materials, and construction and operational costs:; Experimental: The structure and systems of the building operate as an educational resource. The systems are meant to be a source for data collection and study for building users and instructors; Educational: Part of the evolution of this building and its ongoing goals is to use the building as an educational tool, one where new ideas developed in the world and especially at Crowder can be tested further as part of MARET's curriculum; LEED Platinum: achieve highest level of LEED certification; Net Zero: The building will utilize existing wind and alternate energy sources on campus and add solar PVT panels and achieve as close as possible to a net zero energy usage; and Phase II: The phase II portion of this project will expand the Internet student area, additional classrooms, and labs, as well as an auditorium and exhibit area.

14 SOLAR ENERGY↗
DOE OSTI2022

SPT-3G+: mapping the high-frequency cosmic microwave background using kinetic inductance detectors

We present the design and science goals of SPT-3G+, a new camera for the South Pole Telescope, which will consist of a dense array of 34100 kinetic inductance detectors measuring the cosmic microwave background (CMB) at 220, 285 and 345 GHz. The SPT-3G+ dataset will enable new constraints on the process of reionization, including measurements of the patchy kinematic Sunyaev-Zeldovich effect and improved constraints on the optical depth due to reionization. At the same time, it will serve as a pathfinder for the detection of Rayleigh scattering, which could allow future CMB surveys to constrain cosmological parameters better than from the primary CMB alone. In addition, the combined, multi-band SPT-3G and SPT-3G+ survey data, will have several synergies that enhance the original SPT-3G survey, including: extending the redshift-reach of SZ cluster surveys to z > 2; understanding the relationship between magnetic fields and star formation in our Galaxy; improved characterization of the impact of dust on inflationary B-mode searches; and characterizing astrophysical transients at the boundary between mm and sub-mm wavelengths. Finally, the modular design of the SPT-3G+ camera allows it to serve as an on-sky demonstrator for new detector technologies employing microwave readout, such as the on-chip spectrometers that we expect to deploy during the SPT-3G+ survey. In this paper, we describe the science goals of the project and the key technology developments that enable its powerful yet compact design.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

The ADAQ framework: An integrated toolkit for data acquisition and analysis with real and simulated radiation detectors

Here, the ADAQ framework is a collection of software tools that is designed to streamline the acquisition and analysis of radiation detector data produced in modern digital data acquisition (DAQ) systems and in Monte Carlo detector simulations. The purpose of the framework is to maximize user scientific pro-ductivity by minimizing the effort and expertise required to fully utilize radiation detectors in a variety of scientific and engineering disciplines. By using a single set of tools to span the real and simulation domains, the framework eliminates redundancy and provides an integrated workflow for high-fidelity comparison between experimental and simulated detector performance. Built on the ROOT data analysis framework, the core of the ADAQ framework is a set of Cþþ and Python libraries that enable high-level control of digital DAQ systems and detector simulations with data stored into standardized binary ROOT files for further analysis. Two graphical user interface programs utilize the libraries to create powerful tools: ADAQAcquisition handles control and readout of real-world DAQ systems and ADAQAnalysis provides data analysis and visualization methods for experimental and simulated data. At present, the ADAQ framework supports digital DAQ hardware from CAEN S.p.A. and detector simulations performed in Geant4; however, the modular design will facilitate future extension to other manufacturers and simulation platforms.

detector simulation↗
DOE OSTI2023

Spin–vibronic coherence drives singlet–triplet conversion

Design-specific control over the transitions between excited electronic states with different spin multiplicities is of the utmost importance in molecular and materials chemistry. Previous studies have indicated that the combination of spin-orbit and vibronic effects, collectively termed the spin-vibronic effect, can accelerate quantum-mechanically forbidden transitions at non-adiabatic crossings. However, it has been difficult to identify precise experimental manifestations of the spin-vibronic mechanism. Here we present coherence spectroscopy experiments that reveal the interplay between the spin, electronic and vibrational degrees of freedom that drive efficient singlet-triplet conversion in four structurally related dinuclear Pt(II) metal-metal-to-ligand charge-transfer (MMLCT) complexes. Photoexcitation activates the formation of a Pt-Pt bond, launching a stretching vibrational wavepacket. The molecular-structure-dependent decoherence and recoherence dynamics of this wavepacket resolve the spin-vibronic mechanism. Further, we find that vectorial motion along the Pt-Pt stretching coordinates tunes the singlet and intermediate-state energy gap irreversibly towards the conical intersection and subsequently drives formation of the lowest stable triplet state in a ratcheting fashion. This work demonstrates the viability of using vibronic coherences as probes to clarify the interplay among spin, electronic and nuclear dynamics in spin-conversion processes, and this could inspire new modular designs to tailor the properties of excited states.

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

XScan: An Integrated Tool for Understanding Open Source Community-Based Scientific Code

Many scientific communities have adopted community-based models that integrate multiple components to simulate whole system dynamics. The community software projects’ complexity, stems from the integration of multiple individual software components that were developed under different application requirements and various machine architectures, has become a challenge for effective software system understanding and continuous software development. The paper presents an integrated software toolkit called X-ray Software Scanner (in abbreviation, XScan) for a better understanding of large-scale community-based scientific codes. Our software tool provides support to quickly summarize the overall information of scientific codes, including the number of lines of code, programming languages, external library dependencies, as well as architecture-dependent parallel software features. The XScan toolkit also realizes a static software analysis component to collect detailed structural information and provides an interactive visualization and analysis of the functions. We use a large-scale community-based Earth System Model to demonstrate the workflow, functions and visualization of the toolkit. We also discuss the application of advanced graph analytics techniques to assist software modular design and component refactoring.

Zheng, Weijian↗