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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 451 records · Page 25
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DOE OSTI2025

Preliminary System Interface Failure Mode Analysis for Two Advanced Reactors

This study explores two distinct Balance of Plant (BOP) configurations: the Rankine cycle for a sodium-cooled fast reactor (SFR) and the Brayton cycle for a gas-cooled reactor (GCR). As representative designs, the Power Reactor Innovative Small Module (PRISM) by GE Hitachi Nuclear Energy was selected for the SFR, while the Gas Turbine Modular Helium Reactor (GT MHR) by General Atomics was chosen for the gas-cooled reactor. Both configurations were adapted to deliver high-quality heat for industrial applications. A Failure Modes and Effects Analysis (FMEA) was conducted for each system to identify critical failure modes affecting key components. This study marks the first phase of a two-step design optimization approach, integrating FMEA into the design process. Based on the analysis, design modifications and mitigation strategies were proposed to enhance system resilience. The second phase, to be detailed in a subsequent report, will focus on the role of the control system in mitigating these failures. The FMEA serves as a foundation for defining the control topology, ensuring system resilience against component failures that could compromise essential functions, such as electricity and heat production.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

A Fortran-Python Interface for Integrating Machine Learning Parameterization into Earth System Models

Parameterizations in Earth System Models (ESMs) are subject to biases and uncertainties arising from subjective empirical assumptions and incomplete understanding of the underlying physical processes. Recently, the growing representational capability of machine learning (ML) in solving complex problems has spawned immense interests in climate science applications. Specifically, ML-based parameterizations have been developed to represent convection, radiation and microphysics processes in ESMs by learning from observations or high-resolution simulations, which have the potential to improve the accuracies and alleviate the uncertainties. Previous works have developed some surrogate models for these processes using ML. These surrogate models need to be coupled with the dynamical core of ESMs to investigate the effectiveness and their performance in a coupled system. In this study, we present a novel Fortran-Python interface designed to seamlessly integrate ML parameterizations into ESMs. This interface showcases high versatility by supporting popular ML frameworks like PyTorch, TensorFlow, and Scikit-learn. We demonstrate the interface's modularity and reusability through two cases: a ML trigger function for convection parameterization and a ML wildfire model. We conduct a comprehensive evaluation of memory usage and computational overhead resulting from the integration of Python codes into the Fortran ESMs. By leveraging this flexible interface, ML parameterizations can be effectively developed, tested, and integrated into ESMs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Techno-economic analysis of advanced small modular nuclear reactors

Here, small modular nuclear reactors (SMRs) represent a robust opportunity to develop low-carbon and reliable power with the potential to meet cost parity with conventional power systems. This study presents a detailed, bottom-up economic evaluation of a 12 × 77 MW e (924 MW e total) light-water SMR (LW-SMR) plant, a 4 × 262 MW e (1,048 MW e ) gas-cooled SMR (GC-SMR) plant, and a 5 × 200 MW e (1,000 MW e total) molten salt SMR (MS-SMR) plant. Cost estimates are derived from equipment costs, labor hours, material inputs, and process-engineering models. The advanced SMRs are compared to natural gas combined cycle plants with and without post-combustion carbon capture and a conventional large nuclear reactor. Overnight capital cost (OCC) and levelized cost of energy (LCOE) estimates are developed. The OCC of the LW-SMR, GC-SMR, and MS-SMR are found to be $\$4,844$/kW, $\$4,355$/kW, and $\$3,985$/kW respectively. The LCOE of the LW-SMR, GC-SMR, and MS-SMR are found to be $\$89.6$/MWh, $\$81.5$/MWh, and $\$80.6$/MWh respectively. A Monte Carlo analysis is performed, for which the OCC and construction time of the LW-SMR is found to have a lower mean and standard deviation than a conventional large reactor. The LW-SMR OCC is found to have a mean of $\$5,233$/kW with a standard deviation of $\$658$/kW and a 90 % probability of remaining between $\$4,254$/kW and $\$6,399$/kW, while the construction duration is found to have a mean of 4.5 years with a standard deviation of 0.8 years and a 90 % probability of remaining between 3.4 and 6.0 years. The economic impact of economies of scale, simplification, modularization, and construction time for SMRs are discussed. Additionally, policy implications for direct SMR capital subsidies and the impact of a carbon tax on natural gas emissions are explored.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Exploring Hydrologic Model Process Connectivity at the Continental Scale Through an Information Theory Approach

Exploring water fluxes between hydrological model (HM) components is essential to assess and improve model realism. Many classical metrics for HM diagnosis rely solely on streamflow and hence provide limited insights into model performance across processes. This study applies an information theory measure known as “transfer entropy” (TE) to systematically quantify the transfer of information among major HM components. To test and demonstrate the benefits of TE, we use the Framework for Understanding Structural Errors (FUSE) model to mimic and compare four commonly used HM structures, VIC, PRMS, SACRAMENTO, and TOPMODEL, across 671 catchments spanning a variety of hydrologic regimes in the conterminous United States. We explore connections between HM components and catchment landscape characteristics (e.g., climate, topography, soil, and vegetation) and characterize their nonlinear associations using distance correlation and Spearman correlation coefficients. Our results indicate that while the information transferred from precipitation to runoff is similar across model structures (likely as a result of calibration), the information transferred among other components can vary significantly from a FUSE structure to another. We find that aridity, precipitation duration and frequency, snow fraction, mean elevation, forest area, and leaf area index are often significantly associated with TE between the main HM components. Here, we propose that the presence of meaningful nonlinear associations can be used to diagnose process representation in HMs. Our results highlight the necessity to enhance the conventional streamflow-only calibration approach for a more realistic representation of water dynamics in the models.

large-sample hydrology↗
DOE OSTI2024

Atomic-scale oxygen-vacancy engineering in Sub-2 nm thin Al 2 O 3 /MgO memristors

Ultrathin (sub-2 nm) Al 2 O 3 /MgO memristors were recently developed using an in vacuo atomic layer deposition (ALD) process that minimizes unintended defects and prevents undesirable leakage current. These memristors provide a unique platform that allows oxygen vacancies (V O ) to be inserted into the memristor with atomic precision and study how this affects the formation and rupture of conductive filaments (CFs) during memristive switching. Herein, we present a systematic study on three sets of ultrathin Al 2 O 3 /MgO memristors with V O -doping via modular MgO atomic layer insertion into an otherwise pristine insulating Al 2 O 3 atomic layer stack (ALS) using an in vacuo ALD. At a fixed memristor thickness of 17 Al 2 O 3 /MgO atomic layers (~1.9 nm), the properties of the memristors were found to be affected by the number and stacking pattern of the MgO atomic layers in the Al 2 O 3 /MgO ALS. Importantly, the trend of reduced low-state resistance and the increasing appearance of multi-step switches with an increasing number of MgO atomic layers suggests a direct correlation between the dimension and dynamic evolution of the conducting filaments and the V O concentration and distribution. Understanding such a correlation is critical to an atomic-scale control of the switching behavior of ultrathin memristors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Industry Facing PV Degradation Prediction Tool and Database to Enable a 50-Year Life Module

The Photovoltaic (PV) industry constantly aims for lower costs, higher-efficiency cells, and improved module designs. These trends lead to using new materials, designs, and manufacturing processes, resulting in a continually changing technological landscape. These changes can potentially introduce new, unknown degradation mechanisms and failure modes that are difficult to diagnose, analyze, test, and model. This introduces uncertainty into the expected lifetime of PV modules of 25 years. Furthermore, research efforts aim for up to 50 years of service life while keeping performance degradation at a minimum for decades of outdoor weathering - putting additional pressure on improving the accuracy of long-term durability and reliability assessments. Here there is a need to organize the existing degradation data into an accessible format and to provide industry relevant tools for extrapolation from laboratory to field conditions. Because the core of this type of analysis involves calculations that are complicated but ubiquitous for many degradation processes, an enhanced predictive modeling framework will facilitate the analysis to help researchers keep up with the rapid pace of technological changes. In this work, we present an online tool that can be used to search for and analyze degradation information and extrapolate PV module performance and durability to field exposure. A graphical user interface will aid in the understanding of the results. The prediction tool will be built modular and published as open source, enabling users to expand on the existing framework. We use an integration pipeline approach that allows us to leverage weather data from the National Solar Radiation Database to perform geospatial degradation analysis in the US and worldwide. Our repository will contain various degradation models and material parameters suitable for the reliability and durability assessment of materials and components deployed outdoors. We hope to become a repository that can be used for weathering and degradation analysis for various applications beyond the PV industry.

degradation↗
DOE OSTI2022

Zero Energy Ready Out of the Box

In this conference paper for the ASHRAE Buildings XV conference, December 2022, PNNL staff share key metrics for companies who are combining off site construction with certification to the U.S. Department of Energy’s Zero Energy Ready Home program to create homes that are both cost effective to construct and high performance to live in. Key performance metrics and measures for modular, panelized, and SIP homes are compared against all homes in the DOE Zero Energy Ready Home program and against new homes built to code. These metrics show that off-site construction homes got similar or better energy performance to site-built homes, and in the case of modular and panelized, at considerably lower average cost than site-built homes. The paper also highlights the experiences of two DOE Zero Energy Ready Home builders who employ offsite construction methods. One builder constructs production homes using pre-assembled panels. The other builder designs and ships kit homes all over the United States. The paper will focus on the optimum value engineering aspects of the panelized construction processes used by each builder to identify management and production practices employed by the builders to operate profitably while meeting high energy performance goals, despite a year marked by skyrocketing materials costs and supply chain and labor shortages. Cost and labor savings methods will be discussed in the context of these two unique business models.

U.S. Department of Energy Building Technologies Pr↗
DOE OSTI2022

Coupled Heat Power Operation of Smart Buildings via Modular Pumped Hydro Storage

In the United States, building sector is responsible for around 40% of total energy consumption and contributes about 40% of carbon emissions since 2012. Within the past several years, various optimization models and control strategies have been studied to improve buildings’ energy efficiency and reduce operational expenses under the constraints of satisfying occupants’ comfort requirements. However, the majority of these studies consider building electricity demand and thermal load being satisfied by unidirectional electricity flow from the power grid or on-site renewable energy generation to electrical and thermal home appliances. Opportunities for leveraging low-grade heat for electricity have largely been overlooked due to impracticality at small scale. In 2016, a modular pumped hydro storage technology was invented in Oak Ridge National Laboratory, named Ground Level Integrated Diverse Energy Storage (GLIDES). In GLIDES, employing high-efficiency hydraulic machinery instead of gas compressor/turbine, liquid is pumped to compress gas inside high-pressure vessel creating head on ground level. This unique design eliminates the geographical limitation associated with the existing state-of-the-art energy storage technologies. It is easy to be scaled for building level, community level, and grid level applications. By using this novel hydro-pneumatic storage technology, opportunities for leveraging low-grade heat in building can be economical. In this research, the potential of utilizing low-grade thermal energy to augment electricity generation of GLIDES is investigated. Since GLIDES relies on gas expansion in the discharge process and the gas temperature drops during this non-isothermal process, available thermal energy, e.g., from thermal storage, combined cooling, heat and power system (CCHP), can be utilized by GLIDES to counter the cooling effect of the expansion process and elevate the gas temperature and pressure and boost the roundtrip efficiency. Here, several groups of comparison experiments have been conducted, and the experimental results show that a maximum 12.9% cost saving could be achieved with unlimited heat source for GLIDES, and a moderate 3.8% cost improvement can be expected when operated coordinately with CCHP and thermal energy storage in a smart building.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Fused Deposition Modeling Additive Manufacturing of Carbonized Structures via Waste-Enhanced Filaments

This report details the development, characterization, and use of coal-enhanced composite materials in additive manufacturing applications. High coal loading formulations—containing up to 70 wt.% coal—were successfully extruded and processed using commercially available 3D printers. Extensive experimental testing was conducted to assess the mechanical, thermal, and microstructural properties of the composites. In parallel, multi-scale computational modeling was employed to elucidate atomistic interactions and evaluate the effects of printing-induced defects on structural performance. Large-scale printability trials demonstrated the feasibility of fabricating complex components for tooling and construction applications, including wind turbine blade molds and modular wall sections. Techno-economic analyses demonstrated the cost-effectiveness and scalability of coal-enhanced composites for large-scale additive manufacturing applications such as wind turbine blade tooling.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2025

Engineered Solutions Group's SMR Containment Cable and Electrical Penetration Assembly System

GAIN Project CRADA Number NFE-21-08839, entitled “SMR Containment Cable and EPA System” was initiated by the partnership of Oak Ridge National Laboratory (ORNL) and Engineered Solutions Group (ESG) to test an ESG-designed Electrical Penetration Assembly and Containment Cabling System Qualified for not only legacy LWR designs, but also Small Modular Reactors designs currently being designed by several different suppliers. This project was undertaken to fill the equipment gap of EPA and Cabling Systems that require much more severe environmental requirements than legacy plant applications present due to their smaller containment volumes that result in high energy densities compared to legacy designs. This high energy density results in severe accident environments and more severe normal operating conditions as well. We developed two approaches to qualify Electrical Penetration Assembly (EPA) and Containment Cabling Systems for SMRs and Advanced Reactors. We take into consideration the more severe environmental parameters found with SMR designs. The system will need to meet a qualification test program addressing wear/cyclic aging, potential radiation exposure, thermal aging, vibration aging, thermal cycling, seismic qualification, electrical fault testing (per IEEE 317) and accident simulation. The equipment must meet the requirements of 10CFR50.49, GDC 50 in 10CFR50 Appendix A, and 10CFR50 Appendix J. NRC Regulatory Guides (RGs) identify an acceptable way of meeting regulatory requirements. RGs frequently endorse a standard for meeting these requirements. Specific to this review, equipment would be qualified in accordance with the following IEEE Standards. • IEEE 317-2013 (Electrical Penetration Assemblies), which is endorsed by RG 1.63, Rev. 3, • IEEE 323-2003 and the more current IEC/IEEE 60780-323 (Environmental Qualification of 1E Equipment) which is endorsed by RG 1.89. IEEE 323-2003 is endorsed by RG 1.209, • IEEE 344-2020 (Seismic Qualification. The 2013 version endorsed by RG 1.100, Rev. 4, with exceptions), • IEEE 383-2015 (Electrical Cables) (which is endorsed by RG 1.189 Rev. 4 and the -2003 version endorsed by RG 1.211 rev. 0), • IEEE 572-2019 (Electrical Connectors and Assemblies), which is endorsed by 1.156 Rev 1, and • [IEEE 1202 (endorsed by RG 1.189) would normally be applicable but the advanced cable designs are impervious to this cable flame test.] The primary goal of such a program is to provide an EPA design that can meet the qualification requirements for all legacy light water reactor plants currently operating as well as new plant designs including light water Small Modular Reactors. Thus, these requirements are applicable to plants licensed under 10CFR50 and 10CFR52. Other reactor designs may be evaluated, and this test system and qualification method applied to those applications if the requirements would satisfy the requirements of the intended plant. A secondary benefit of this work is to document some of the history and background in these requirements as there have been recent delays in an SMR licensing process due to NRC Requests for Additional Information in this subject matter area.

42 ENGINEERING↗
DOE OSTI2024

Uncertainty Propagation from Experiment Measurements to Modeling Approaches: A Case for SMR Steam Entrainment Testing

To license new and advanced reactor designs, regulators must be convinced that their unique safety cases—relative to existing large scale reactors—have been adequately addressed by the designed reactor protection systems. In water cooled small modular reactors (SMRs), droplet entrainment in steam flow has significant implications on the progression of accident scenarios due to its compact design features, which requires representative test data applicable to SMR designs. Computer code, modeling and simulation (M&S) tools and models require adequate verification, assessment, and qualification. This includes M&S results validation against scaled empirical data within allowable uncertainty bands to gain regulatory approvals during the various stages of reactor system design, demonstration, and commercialization. However, measurement uncertainty within the empirical datasets and test data applicability ranges requires careful consideration of M&S inputs (i.e., boundary conditions, and initial conditions), and verification and validation efforts. This study focuses on uncertainty quantification in designing scaled test facilities for SMR applications with appropriate measurements and a standard data-reduction method to estimate thermal hydraulics characteristics parameters that incorporate physics phenomena of interest. In addition, this study supports the evaluation model development and assessment process using M&S that interfaces with advanced computing tools and digital twin capabilities. This will allow synchronization between experiment and modeling approaches for droplet entrainment testing and analysis, improving diagnostics, prognostics, and decision-making to accelerate regulatory approval.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2025

Rational Modulation of Plant Root Development Using Engineered Cytokinin Regulators

Achieving precise control over quantitative developmental phenotypes is a key objective in plant biology. Recent advances in synthetic biology have enabled tools to reprogram entire developmental pathways; however, the complexity of designing synthetic genetic programs and the inherent interactions between various signaling processes remains a critical challenge. Here, we leverage Type-B response regulators to modulate the expression of genes involved in cytokinin-dependent growth and development processes. We rationally engineered these regulators to modulate their transcriptional activity (i.e., repression or activation) and potency while reducing their sensitivity to cytokinin. By localizing the expression of these engineered transcription factors using tissue-specific promoters, we can predictably tune cytokinin-regulated traits. As a proof of principle, we deployed this synthetic system in Arabidopsis thaliana to either decrease or increase the number of lateral roots. The simplicity and modularity of our approach makes it an ideal system for controlling other developmental phenotypes of agronomic interest in plants.

Cell signaling↗
DOE OSTI2021

Materials Challenges and Opportunities for Energy Generation, Conversion, Delivery, and Storage (Applied Energy Tri-Laboratory Consortium Workshop Report)

This report documents the outcomes of the Tri-Laboratory Materials Workshop that was held July 31 and August 1, 2019 to begin addressing the needs, opportunities, and challenges associated with the development, fabrication, and testing of the needed materials and components for integrated hybrid energy systems (i.e., incorporating nuclear, fossil, and renewables for electric and thermal applications). This was accomplished by assembling the research program leads and principal investigators at Idaho National Laboratory (INL), National Energy Technology Laboratory (NETL), and National Renewable Energy Laboratory (NREL), who support the research and development of new technology and system integration. The team then identified and prioritized key materials development needs. This effort was intended to enhance communications and synergy among the Tri-Lab partners. Advanced functional and structural materials are central to transformative energy technologies for energy generation, conversion, delivery, and storage. With that in mind, the workshop focused on identifying and assessing the foundational materials research needs at both the basic and applied levels. Materials challenges include the ability to withstand harsh environments, such as high temperatures and pressures, corrosion, oxidation, or irradiation while maintaining flexible mission profiles and long service lifespans. Advanced energy system material challenges and needs range from materials for the capture, upgrading/concentration, storage, and delivery of low-grade heat to materials for high temperature environments that involve liquid metals, molten salt, and very high temperature gas heat delivery and storage systems. Material improvements are needed for hybrid energy systems due to accelerated corrosion and stress-fatigue failure of materials and equipment, which results from increased frequency and amplitude of thermal, mechanical, and electrical cycling of systems components. Multifunctional materials are needed for high temperature solid-oxide fuel cells, advanced electrochemical reactors, and in-process separation. Relative to materials manufacturing, application of advanced additive and subtractive methods need to be understood to develop both thin-layer homogenous materials and materials of graded composition. Materials modeling and machine learning will be critical to accelerate the design and production of power electronics, and nuclear reactor materials and fuel, as well as to gain an understanding of beneficial materials phenomena or deleterious microstructure evolution. There is also a need for standardized models, computational structures, data reporting protocols and modeling tools across the three laboratories. This would allow consistent results, analysis, and data sharing. Combining computational capabilities between the three laboratories (e.g., hardware, software) would greatly increase computational capabilities and throughput. The workshop identified the need for laboratories to anticipate and address problems that will occur during scale-up. Laboratory work must connect with industry to ensure that research focuses on processes that are scalable and marketable. Industry input and perspective are essential to guide laboratory research to meet these requirements and deploy new technology in industrial demonstrations. Another aspect of scale-up is the integration of multiple systems since new challenges often arise at the subsystem interfaces. Establishing a scale-up manufacturing demonstration/pilot plant, potentially as an industrial user facility, would be beneficial to the laboratories and industry. That modular scale-up manufacturing demonstration/pilot plant would allow researchers to find and resolve interface problems that cannot be identified by focusing only on individual parts. Communication exchanges among the organizers, attendees, and workshop survey responses indicate that the workshop was successful in achieving its goal to identify key technology gaps and research needs. Strong positive feedback was received on the sharing of ideas, capabilities, talent, and passion to move forward on the materials-related action items.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Advances in engineering microbial biosynthesis of aromatic compounds and related compounds

Abstract Aromatic compounds have broad applications and have been the target of biosynthetic processes for several decades. New biomolecular engineering strategies have been applied to improve production of aromatic compounds in recent years, some of which are expected to set the stage for the next wave of innovations. Here, we will briefly complement existing reviews on microbial production of aromatic compounds by focusing on a few recent trends where considerable work has been performed in the last 5 years. The trends we highlight are pathway modularization and compartmentalization, microbial co-culturing, non-traditional host engineering, aromatic polymer feedstock utilization, engineered ring cleavage, aldehyde stabilization, and biosynthesis of non-standard amino acids. Throughout this review article, we will also touch on unmet opportunities that future research could address.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Salt Vessel-Sample Generator Interface

The goal of the salt sampling program at Argonne is to develop and deploy automated molten salt sampling approaches for interfacing relevant unit operations with salt analysis to improve the timeliness and accuracy of sampling-based accountancy measurements. One technology under development is a vacuum sampler loop module. In this system, molten salt is drawn from a process vessel through a heated sampling line and into a charge vessel. Next, one or more samples are split from the volume in the charge vessel and the remaining salt is returned to the process. The vacuum sampler loop module is being developed to interface with other sample processing and analysis modules to enable rapid at-line sample characterization. The main purpose of the vacuum sampling loop module is to enable the collection of samples that are more representative of the bulk salt by replacing traditional point samplers (i.e., dip probes) with a sampling approach that captures a larger cross section of salt. Additionally, the vacuum sampling approach eliminates the risk of dross contamination of samples and avoids the use of moving parts in the salt. Two methods of interfacing the vacuum sampling loop with a precision pneumatic sample generator were investigated in FY21. This report covers the testing of fluidic coupling between the two modules. Two iterations of the fluidically coupled modules were tested. The first iteration system coupled the two modules using a freeze valve to seal the vacuum sampler during filling and to control flow into the pneumatic sample generator. While this integrated system functioned as intended, some changes were implemented to make the system more robust and better suited to remote deployment. Specifically, the system was made to be more modular and active control of the vacuum filling operation was replaced with a passive control mechanism. For passive filling, the salt charge vessel was vented to a small gas tank that was at negative pressure, causing salt to be drawn into the vessel until the force of the fluid head was in equilibrium with the gas pressure. The passive control system performed well and will be used in future iterations. Another change in the second system was a newly configured pneumatic sample generator in which sample ejection occurred through a hole in the reservoir’s stainless-steel side wall instead of through a non-wetted sapphire orifice on the bottom. This alternate configuration may be better suited for near-process deployment because it enables on-line orifice maintenance and an orifice bypass drain back to the process. A third change in the second iteration system was the transition to a two-chamber charge vessel which split off a fraction of the sampled salt as a liquid aliquot. The goal was to create a buffer mechanism that would allow reproducible aliquoting of samples, independently of variability in the charge vessel fill height. While the two-chamber design was functional, the sample size reproducibility was below target values. To improve reproducibility and overcome many of the impediments to remote deployment of the vacuum sampling loop module, separate work was conducted to replace the two-chamber liquid aliquoting mechanism with aliquoting into single-use sample tubes. Solid salt transfer in the sample tubes will replace fluidic coupling for integrating the vacuum sampler with downstream modules. Because the proposed operations can all be executed with simple overhead actuation mechanisms or other existing hot-cell technology, there will be no need for large investments in novel hot cell sample handling technologies using this alternate approach. As such, near-term deployment of the vacuum sampling technology will be achievable. This new approach for automated coupling of sample tubes with down-stream modules is covered in a separate FY21 report, and a remotely operated version of the vacuum sampler loop module with the tube aliquoting feature is planned for FY22.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

CMaize: Simplifying inter-package modularity from the build up

There is a growing desire for inter-package modularity within the chemistry software community to reuse encapsulated code units across a variety of software packages. Most comprehensive efforts at achieving inter-package modularity will quickly run afoul of a very practical problem, being able to cohesively build the modules. Writing and maintaining build systems has long been an issue for many scientific software packages that rely on compiled languages such as C/C++. The push for inter-package modularity compounds this issue by additionally requiring binary artifacts from disparate developers to interoperate at a binary level. Thankfully, the de facto build tool for C/C++, CMake, is more than capable of supporting the myriad of edge cases that complicate writing robust build systems. Unfortunately, writing and maintaining a robust CMake build system can be a laborious endeavor because CMake provides few abstractions to aid the developer. Further, the need to significantly simplify the process of writing robust CMake-based build systems, especially in inter-package builds, motivated us to write CMaize. In addition to describing the architecture and design of CMaize, the article also demonstrates how CMaize is used in production-level software.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Staged OMB for Modular Gasifier/Burner

The goal of this final project report is to comprehensively summarize the work conducted on project DE-FE0031506. In accordance with the Statement of Project Objectives (SOPO), the University of Kentucky Center for Applied Energy Research (UK CAER) (Recipient) has developed a staged opposed multi-burner (OMB) gasifier, scaled down from a commercial gasification technology to utilize coal slurry as feed for the high-temperature gasification. The project involved the design, fabrication, commissioning, parametric testing, and performance validation of the entrained gasifier with multiple burners to narrow the major near-term technical gaps that impede the application of small-size gasification by modularizing the system. Project results verified the UK CAER approach to address the major technical challenges on the gasification modularization for a distributed application at a small scale of 1-5 MWe, while maintaining advantages in cost and flexibility, which include: 1) a cost-effective burner configuration to provide high flexibility in both load and fuel feed; 2) the modularized staged-OMB to provide better gasification performance such as a desired temperature profile, better fuel conversion, better gasification efficiency, and long lifetimes of the refractory wall and burners; and 3) load control simply through changing the number of burners firing. UK CAER’s staged gasifier configuration, fuel blend performance, and economic evaluation shows promise, as summarized in this report, as an effective means for improved gasification efficiency with reduced operation cost and process complexity.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2023

Next Generation Fiber-Encapsulated Nanoscale Hybrid Materials for Direct Air Capture with Selective Water Rejection

Recently, NOHMs sorbents have been demonstrated to be highly stable and tunable for CO2 capture and have negligible vapor pressure, but their main drawbacks are high viscosity and high gas transfer limitation in their neat bulk phase. This project explored gas-assisted electrospinning processing coupled with promising encapsulation matrices such as Polymers with Intrinsic Microporosity (PIM-1) and polyacrylonitrile (PAN)/organopolysilizane (OPSZ) polymer/ceramic hybrid materials, which were demonstrated to be effective novel carriers for the active NOHMs sorbents. These encapsulation materials were evaluated by their thermal stability, hydrophobicity, permeability, and CO2 selectivity. The manufacturing parameters such as component composition and processing solvent were linked to bulk sorbent properties, e.g., surface area, pore volume, fiber thickness, capture capacity, capture kinetics, etc. These investigations resulted in fundamental knowledge and technical know-how that will be useful for scaling up the nanofiber mat contactor design. The encapsulation materials and design has been shown to not only increase the thermal oxidative stability of the NOHMs, but also yield significantly reduced pressure drop and increased performance of large modular air filters. 70 PAN: 30 OPSZ/NIPEI fibers exhibited the highest capture performance with 1.5 mmol CO2/g∙h kinetics the first hour under 100% CO2 condition, followed by 80 PAN: 20 OPSZ/NIPEI and 90 PAN: 10 OPSZ/NIPEI, while 90 PAN: 10 OPSZ/NIPEI fibers performed the best with 0.25 mmol CO2/g∙h of the initial kinetics under 400 ppm CO2 concentration. All the fabricated fibers demonstrated stable capture performances up to 15 cycles of adsorption and desorption. Using encapsulated NOHMs, the study found that the microwave could help regenerate the capture materials within 20 minutes without chemically degrading the materials. A high-level TEA/LCA study was performed to evaluate the feasibility of this technology at scale. These estimates show that the sorbent cost and environmental impact levels are comparable to other existing technologies. Overall, these findings increase the technological feasibility of using liquid-like, low vapor pressure NOHMs as a next generation sorbent for the direct air capture of CO2.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗