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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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At least 1,405 records · Page 78
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

High-efficiency frost and ice control via sensing-assisted nanovibrational slippery surfaces

Frost and ice accretions on surfaces pose persistent challenges across numerous industrial, residential and transportation systems. While various removal strategies exist, they often suffer from limited effectiveness or high energy consumption, such as frosting delay, ice crack generation, and Joule heating. Here, in this work, we report a novel integrated approach combining vibrational quasi-liquid surface (QLS) and capacitive sensing for efficient condensate, frost, and ice management. Compared to Joule heating, our approach does not rely on complete melting and evaporation for removal, resulting in 68% and 95% energy savings for frost and ice removal, respectively. Our QLS coating significantly reduces surface retention forces, achieving 91% and 87% less residual mass compared to hydrophilic surfaces for frost and ice removal through surface nanovibration, respectively. The integrated capacitive sensor provides real-time detection of different phase states, enabling on-demand removal in precise timeframes. This sensor-assisted approach showed 3.8 times lower energy consumption compared to conventional Joule heating for defrosting. This synergistic integration of surface engineering, nanovibration, and intelligent sensing represents a significant advancement in phase change processes, offering an energy-efficient solution for frost and ice mitigation in energy-intensive systems.

Shen, Yuchen [Univ. of Texas at Dallas, Richardson↗
DOE OSTI2024

cclib 2.0: An updated architecture for interoperable computational chemistry

Interoperability in computational chemistry is elusive, impeded by the independent development of software packages and idiosyncratic nature of their output files. The cclib library was introduced in 2006 as an attempt to improve this situation by providing a consistent interface to the results of various quantum chemistry programs. The shared API across programs enabled by cclib has allowed users to focus on results as opposed to output and to combine data from multiple programs or develop generic downstream tools. Initial development, however, did not anticipate the rapid progress of computational capabilities, novel methods, and new programs; nor did it foresee the growing need for customizability. Here, we recount this history and present cclib 2, focused on extensibility and modularity. We also introduce recent design pivots—the formalization of cclib’s intermediate data representation as a tree-based structure, a new combinator-based parser organization, and parsed chemical properties as extensible objects.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Experimental Passive-State Preparation for Continuous-Variable Quantum Communications

In the Gaussian-modulated coherent state quantum key distribution (QKD) protocol, the sender first generates Gaussian-distributed random numbers and then encodes them on weak laser pulses actively by performing amplitude and phase modulations. Recently, an equivalent passive QKD scheme has been proposed by exploring the intrinsic field fluctuations of a thermal source [B. Qi, P. G. Evans, and W. P. Grice, Phys. Rev. A 97, 012317 (2018)]. This passive QKD scheme is especially appealing for chip-scale implementation since no active modulation is required. In this paper, we conduct an experimental study of the passively encoded QKD scheme using an off-the-shelf amplified spontaneous emission source operated in continuous-wave mode. Our results show that the excess noise introduced by the passive state preparation scheme can be effectively suppressed by applying optical attenuation and a secure key can be generated over metro-area distances.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Practical Introduction to Benchmarking and Characterization of Quantum Computers

Rapid progress in quantum technology has transformed quantum computing and quantum information science from theoretical possibilities into tangible engineering challenges. Breakthroughs in quantum algorithms, quantum simulations, and quantum error correction are bringing useful quantum computation closer to fruition. These remarkable achievements have been facilitated by advances in quantum characterization, verification, and validation (QCVV). QCVV methods and protocols enable scientists and engineers to scrutinize, understand, and enhance the performance of quantum information-processing devices. In this tutorial, we review the fundamental principles underpinning QCVV, and introduce a diverse array of QCVV tools used by quantum researchers. We define and explain QCVV’s core models and concepts—quantum states, measurements, and processes—and illustrate how these building blocks are leveraged to examine a target system or operation. We survey and introduce protocols ranging from simple qubit characterization to advanced benchmarking methods. Along the way, we provide illustrated examples and detailed descriptions of the protocols, highlight the advantages and disadvantages of each, and discuss their potential scalability to future large-scale quantum computers. This tutorial serves as a guidebook for researchers unfamiliar with the benchmarking and characterization of quantum computers, and also as a detailed reference for experienced practitioners.

open quantum systems & decoherence↗
DOE OSTI2022

Extensive Attention Mechanisms in Graph Neural Networks for Materials Discovery

We present our research where attention mechanism is extensively applied to various aspects of graph neural net- works for predicting materials properties. As a result, surrogate models can not only replace costly simulations for materials screening but also formulate hypotheses and insights to guide further design exploration. We predict formation energy of the Materials Project and gas adsorption of crystalline adsorbents, and demonstrate the superior performance of our graph neural networks. Moreover, attention reveals important substructures that the machine learning models deem important for a material to achieve desired target properties. Our model is based solely on standard structural input files containing atomistic descriptions of the adsorbent material candidates. We construct novel methodological extensions to match the prediction accuracy of state-of-the-art models some of which were built with hundreds of features at much higher computational cost. We show that sophisticated neural networks can obviate the need for elaborate feature engineering. Our approach can be more broadly applied to optimize gas capture processes at industrial scale.

Cong, Guojing↗
DOE OSTI2023

Autonomous Restoration of Networked Microgrids Using Communication-Free Smart Sensing and Protection Units

Here this paper presents autonomous restoration of networked microgrids using distributed energy resources (DERs), inverter-based resources (IBRs) in general, and controllable assets of intelligence without communication to achieve a extremely resilient power system restoration. The main innovation of this work lies in use of real-time smart sensing and decision making that enable autonomous recombination of islanded microgrids, which are individually black-started by local grid-forming (GFM) inverter units. The smart circuit breakers (SCBs) designed and demonstrated here play critical roles in the restoration process to achieve autonomy; the autonomous restoration scheme is not pre-engineered and may be subject to encounter overloading, live or downed segments as the boundary of the microgrids dynamically expands without prior knowledge and only with local measurement. We demonstrate autonomous microgrid restoration both in simulation of a modified IEEE 13-bus system, and in a hardware testbed comprising 24 GFM-IBRs and 6-SCBs, depicting several scenarios to evaluate their functionalities and interoperability. This work validates high potential of extremely resilient microgrid using novel approaches for inverter-based bottom-up system restoration in a communication-free paradigm.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Correlating Time-Resolved Pressure Measurements With Rim Sealing Effectiveness for Real-Time Turbine Health Monitoring

Purge flow is bled from the upstream compressor and supplied to the under-platform region to prevent hot main gas path ingress that damages vulnerable under-platform hardware components. A majority of turbine rim seal research has sought to identify methods of improving sealing technologies and understanding the physical mechanisms that drive ingress. While these studies directly support the design and analysis of advanced rim seal geometries and purge flow systems, the studies are limited in their applicability to real-time monitoring required for condition-based operation and maintenance. As operational hours increase for in-service engines, this lack of rim seal performance feedback results in progressive degradation of sealing effectiveness, thereby leading to reduced hardware life. To address this need for rim seal performance monitoring, this study utilizes measurements from a one-stage turbine research facility operating with true-scale engine hardware at engine-relevant conditions. Time-resolved pressure measurements collected from the rim seal region are regressed with sealing effectiveness through the use of common machine learning techniques to provide real-time feedback of sealing effectiveness. Two modeling approaches are presented that use a single sensor to predict sealing effectiveness accurately over a range of two turbine operating conditions. Here, the results show that an initial purely data-driven model can be further improved using domain knowledge of relevant turbine operations, which yields sealing effectiveness predictions within 3% of measured values.

42 ENGINEERING↗
DOE OSTI2021

Hardware-in-the-Loop Investigation of Emissions Challenges in Hybrid Medium- and Heavy-Duty Powertrains Using a Pre-Production Diesel-Electric Parallel Hybrid System With and Without Stop-Start Operation

Hybrid electric powertrains are a growing market in medium- and heavy-duty applications. There is a lack of available information to understand the challenges in the integration of engine platforms into electrified powertrains, such as cold-start, restart, and load-reduction effects on emissions and emission control devices. Results from the Heavy Heavy-Duty Diesel Truck (HHDDT) cycle using a conventional medium-duty diesel engine were compared with those of a parallel hybrid architecture. Oak Ridge National Laboratory in collaboration with the US Department of Energy and Odyne Systems, LLC developed a powertrain in a hardware-in-the-loop environment, integrating the Odyne Systems, LLC medium-duty parallel hybrid system, which was used for the hybrid portion of this study. Experiments under the HHDDT cycle showed increasing improvements in fuel consumption and engine-out emissions with the integration of stop/start, hybrid, and hybrid with stop/start. However, the effects of load reduction and exhaust temperature on the thermal management strategy have shown an increase in fueling in the second part of the HHDDT cycle. Four configurations of medium-duty electrification were studied and contributed to building a unique data set containing combustion, emissions, and system integration data. Each electrification level was compared with the conventional baseline. The calibration of the conventional engine was not altered for this study. Opportunities to tailor the combustion process were identified with the stop/start strategy.

Lerin, Chloe↗
DOE OSTI2021

Stepping on the Gas to a Circular Economy: Accelerating Development of Carbon-Negative Chemical Production from Gas Fermentation

Owing to rising levels of greenhouse gases in our atmosphere and oceans, climate change poses significant environmental, economic, and social challenges globally. Technologies that enable carbon capture and conversion of greenhouse gases into useful products will help mitigate climate change by enabling a new circular carbon economy. Gas fermentation using carbon-fixing microorganisms offers an economically viable and scalable solution with unique feedstock and product flexibility that has been commercialized recently. Here, we review the state of the art of gas fermentation and discuss opportunities to accelerate future development and rollout. We discuss the current commercial process for conversion of waste gases to ethanol, including the underlying biology, challenges in process scale-up, and progress on genetic tool development and metabolic engineering to expand the product spectrum. We emphasize key enabling technologies to accelerate strain development for acetogens and other nonmodel organisms.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Qubit Control System (QubiC) v1.0

We design a modular FPGA (field-programmable gate array) based system called QubiC to control and measure a superconducting quantum processing unit. The system includes room temperature electronics hardware, FPGA gateware, and engineering software.

Huang, Gang↗
DOE OSTI2020

BioSTEAMDevelopmentGroup/thermosteam

BioSTEAM is a fast and flexible package for the design, simulation, and techno-economic analysis of biorefineries under uncertainty. BioSTEAM’s framework is built to streamline and automate early-stage technology evaluations and to enable rigorous sensitivity and uncertainty analyses. Complete biorefinery configurations are available at the Bioindustrial-Park GitHub repository, BioSTEAM’s premier repository for biorefinery models and results. The long-term growth and maintenance of BioSTEAM is supported through both community-led development and the research institutions invested in BioSTEAM. Through the open-source and community-lead platform, BioSTEAM aims to foster communication and transparency within the biorefinery research community for an integrated effort to expedite the evaluation of candidate biofuels and bioproducts. Additionally, an agile life cycle assessment (LCA) platform has been designed to interface with BioSTEAM, BioSTEAM-LCA. This open-source, installable package allows users to perform streamlined LCAs of biorefineries. The focus of BioSTEAM-LCA is to streamline and automate early-stage environmental impact analyses of processes and technologies, and to enable rigorous sensitivity and uncertainty analyses linking process design, performance, economics, and environmental impacts. ThermoSTEAM is a standalone thermodynamic engine capable of estimating mixture properties, solving thermodynamic phase equilibria, and modeling stoichiometric reactions. ThermoSTEAM builds upon chemicals, the chemical properties component of the Chemical Engineering Design Library, with a robust and flexible framework that facilitates the creation of property packages. The Biorefinery Simulation and Techno-Economic Analysis Modules (BioSTEAM) is dependent on ThermoSTEAM for the simulation of unit operations.

Cortes-Peña, Yoel↗
DOE OSTI2026

Multi-omic characterization of a soil microbial consortium reveals critical role of succinate and glutamate metabolism during calcium carbonate precipitation

Microbially induced calcium carbonate precipitation (MICP) holds potential for use in soil stabilization and carbon sequestration, with the overall efficiency of the process being a major determinant for use in many environmental and civil engineering applications. While the biogeochemical pathways and enzymes driving MICP are known, the microbial metabolic networks and community dynamics underlying such precipitation remain poorly characterized. To address this gap, we developed a four-member consortium of soil bacteria (Curtobacterium flaccumfaciens, Rhodococcus qingshengii, Microbacterium sp., and Bacillus toyonensis), termed carbon storing consortium - A (CSC-A), that is capable of MICP. Prior work shows that MICP production is higher in CSC-A compared to the sum of carbonate produced by each member, suggesting carbonate production is driven by consortium dynamics. To that end we used a multi-omic integration approach of genomics, transcriptomics, and metabolomics to investigate potential inter-species interactions that may influence the MICP phenotype. Genomic life history characterizations identified evidence of niche specialization by B. toyonensis and Microbacterium, while metatranscriptomic analysis suggests R. qingshengii is a keystone species during growth in urea. By comparing individual species’ metabolomes to the metabolic profile of a shared well of precipitated metabolites, we identified over 200 metabolites predicted to be produced or consumed by CSC-A members. Integrating both data types to search the KEGG reactome highlighted a network centered around glutamine metabolism and branched chain amino acid biosynthesis under regulation during CSC-A growth in urea. Succinate metabolism was also a major node in this network and laboratory assays confirmed that increasing the amount of succinate in the growth medium leads to increased carbonate precipitation by CSC-A, a critical confirmation of our modeling approach. By isolating and identifying the interconnected metabolic components underlying MICP in CSC-A, we identified keystone taxa, metabolites, and pathways important for future optimization of the application of this consortia to carbonate precipitation.

carbon storing consortium - A (CSC-A)↗
DOE OSTI2020

Initial development and verification of a primary load design method based on elastic-perfectly plastic analysis

This report describes a new primary load design method to supplement the current design-by-elastic-analysis rules in Section III, Division 5, Subsection HB, Subpart B of the ASME Boiler and Pressure Vessel Code, covering the design and construction of Class A high temperature nuclear structural components. The main objectives for the new design method are to provide a procedure that can be applied to components with complicated geometries and to simplify the primary load design process by providing rules more compatible with modern finite element analysis. The report includes a complete set of design rules, presented as a draft ASME Code Case, as well as a commentary on the rules and a set of verification problems. The verification design problems demonstrate the new primary load design rules produce safe, efficient components when compared to the current Division 5 approach, while greatly simplifying the design analysis process.

42 ENGINEERING↗
DOE OSTI2024

Ablative Magnetohydrodynamic Rayleigh-Taylor Instability (Final Technical Report)

The Rayleigh-Taylor Instability (RTI) is a ubiquitous flow phenomenon occurring in a multitude of natural and engineered systems in which buoyancy forces exist. RTI is primarily a limiting process in many HED applications and there are significant efforts within the NNSA-ICF program to account for its effect in large scale simulations of ICF implosions both in two- and three-dimensions. The goal of the proposed research is to develop a fundamental understanding of the evolution and role of magnetic fields in the ablative Rayleigh–Taylor instability (aRTI) in the deeply nonlinear stage.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Engineering-Scale Testing of the Biphasic Solvent Based CO 2 Absorption Capture Technology at a Covanta Waste-to-Energy Facility

The original goals of this project were to advance the development and demonstration of the Biphasic CO 2 Absorption Process (BiCAP) technology for CO 2 capture from waste-to-energy (WTE) generation at a 2.5 tonne per day (TPD) engineering scale. This project has primarily focused on the basic design of the 2.5 TPD pilot system within the inside battery limits pertaining to CO 2 capture. The project also conducted a preliminary techno-economic analysis (TEA) for BiCAP at a scale of 100,000 tonne per year (TPY) of CO 2 capture and a preliminary life cycle analysis (LCA) with a primary focus on the environmental impacts related to global warming potential.

09 BIOMASS FUELS↗
DOE OSTI2026

Influence of Powder Characteristics and Processing Methods on Creep Performance of Powder Metallurgy Hot Isostatic Pressed SS316

The U.S. nuclear energy expansion goals are driving the demand for manufacturing routes that can rapidly produce large, complex, near net shape components. Powder metallurgy hot isostatic pressing (PM HIP) is an advanced manufacturing technique that can be economically scaled-up, while alleviating the supply chain challenges that forging and casting face in terms of cost and lead time constraints. This makes PM-HIP a viable technology to aid and accelerate large-scale part manufacturing for nuclear applications. However, large-scale qualification and deployment of this technology require a thorough understanding of the influence of powder feedstock quality, powder handling history, hot isostatic pressing (HIP) parameters, and subsequent heat treatment on microstructural evolution and elevated temperature mechanical performance. The present work focusses on 316 austenitic stainless steel (SS316) which is most commonly used in high temperature environments for nuclear applications Results from this study show that PM HIPed SS316 meets ASME tensile requirements at room temperature and at elevated temperature. However, creep performance of PM-HIPed SS316 remains inferior to its wrought counterpart, demonstrating that tensile performance alone is not a reliable metric for long duration high temperature integrity. Further, this report delineates powder derived microstructural features that govern creep damage, with key evidences pointing to “microstructural inheritance” from gas atomized powder feedstocks. Commercial SS316 powders of varying chemical compositions and recycling histories were studies, and the results showed large differences in elemental segregation, oxide surface layers and secondary phase distributions. Multi-scale characterization revealed segregation of chromium, molybdenum, manganese and silicon at the boundaries and the precipitation of manganese-, silicon-, and molybdenum-oxides. During HIP consolidation, these surface oxides transform into decorated prior particle boundaries (PPBs) and grain boundary inclusions that persist through conventional post-HIP solution annealing treatment. The retained oxides in post-HIP microstructures were found to influence grain growth, precipitation behavior, and ultimately creep cavitation and fracture. Such post-HIP heat treatments are therefore limited by a complex trade-off between grain growth, and oxide coarsening which aggravate creep damage by acting as nucleation sites for cavities. The objective of this work is to establish an integrated processing–structure–property framework for PM-HIP 316 stainless steel by investigating the influence of powder feedstock characteristics in pre- and post-HIP processing as well as to understand the significance of post-HIP heat treatment on microstructural evolution and creep properties. The results from this report emphasize the significance of powder feedstock integrity in improving creep performance of PM-HIPed SS316, by highlight the effect of rapid solidification, elemental segregation, oxide formation and powder recycling on microstructural defect inheritance following HIP consolidation. Rather than considering HIP processing, solution annealing, and mechanical performance independently, this report treats powder production, HIP consolidation, post-HIP thermal processing, and creep deformation as interconnected stages within a continuous metallurgical process. The resulting framework will provide a scientific basis for developing feedstock engineering strategies capable of improving long-term reliability of PM-HIP stainless steels and accelerating their qualification for advanced nuclear applications.

Ajjarapu, Pavan [Oak Ridge National Laboratory (OR↗