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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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DOE OSTI2021

Regulators’ Energy Transition Primer: Economic Impacts of the Energy Transition on Energy Communities, Environmental Justice Considerations, and Implications on Clean Energy Jobs

Applications of new technology, such as horizontal drilling and hydraulic fracturing, enabled the United States to significantly increase its production of oil and natural gas during the last decade—the “Shale Gas Revolution.” As natural gas began to dominate the market with abundant supply and low prices, coal production and consumption have declined. Concurrently, the competitiveness of renewable energy and energy storage has climbed sharply, and analysts expect to see continued reductions in fossil fuel use in the coming decades. Many of these changes have been driven by market forces (i.e., low-cost natural gas and renewables), but current and future policy decisions aimed at tackling climate change concerns and reducing greenhouse gas emissions will also shape the future of the energy sector. This transition to low-carbon fuels has created both opportunities for clean energy technologies and challenges for communities traditionally dependent on fossil fuel-related industries. The power sector’s ongoing shift away from coal has left many coal miners and coal-fired power plant employees unemployed and often unprepared for jobs in other industries, including growing clean energy fields. This primer focuses on the declining coal industry, impacts on communities and workers, opportunities to transition workers who have lost their jobs to clean energy and other related sectors (including hydrogen-oriented jobs), recruitment and training strategies, and available programs and actions to make the shift to a low-carbon economy in a fair, just, and equitable manner by engaging the resources of federal and state governments, as well as the private sector.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2026

Microchannel-based Membrane-less Extraction of Li from Unconventional Lithium Sources & the Separation of REE

This final report provides an overview of the Project's entire duration, covering July 1, 2021 to December 31, 2023. It primarily focuses on the achievements, technological developments, and unique challenges the team faced while working on separating and extracting Lithium from produced waters. The project's primary aim was to create an integrated, high-throughput, membrane-less, and modular microfluidic platform that could extract Lithium from unconventional sources. We have successfully met all goals and milestones envisioned in the SOPO document. The most critical primary milestones, including the Go-No-Go milestone (refer to the Gantt chart in the Appendices), were successfully accomplished. We demonstrated phase separation (>90%) and extraction (>85%) performance in the MPSE using synthetic, and representative produced water composition feed at 50 ml/min total flow through MPSE 36. We have also performed a parametric study of the MPSE operations, beyond the scope of SOPO, exploring operating conditions of current and broader interest. The extended investigation of operational parameters is concurrent with our efforts to seek further development of the MPSE technology beyond the scope of the Project. Along these lines of development, we have made efforts to be responsive to DOE calls for technological developments of other types of resources (beyond PW) for the recovery of Critical Materials and higher TRL development (beyond TRL 4). During the work on this Project, we developed and implemented three innovative technical approaches that emerged from our efforts to successfully meet the Project milestones. The innovative & original technical approaches developed and implemented in this Project are now the contributions to process engineering that could be clearly credited to the Project. First, Convergent Design Approach is a comprehensive feedforward & feedback loop of four design phases: i) design for functionality, ii) design for manufacturing, iii) design for sustainability, and iv) design for market. Next was Process Intensification. A major aim of this Project was to create an innovative phase separation & extraction microscale-based technology for Li separation – thus the words microchannel-based in the Project title. A microscale-based technology is intrinsically in the center of the Process Intensification domain as defined by its unique principles. Therefore, Process Intensification was implicitly envisioned in the Project’s SOPO. Lastly, Time Scale Analysis is a novel tool for discovering the needs and directions of Process Intensification implementations in any process technology. This Project is fully credited for developing and implementing the three novel technical approaches mentioned above. These are general contributions to process engineering that emerged from this Project. Beyond the original SOPO scope, the OSU-U.Pitt research group utilized a Convergent Design methodology, integrating first-principles mathematical modeling with experimental validation on the Minimum Development Vehicle. By creating these Digital Twins, the team rapidly assessed manufacturing iterations to support TEA analysis. This framework further enabled the development of advanced Surface Modification Techniques, where hydrophobic and oleophobic coating strategies were optimized via Digital Twin tools and validated through rigorous 100-hour longevity testing. TEA Analysis: The closing efforts of this Project were focused on the TEA analysis. TEA analysis had two primary functions: i) enabling critical assessments of design variations withing 10 the Concurrent Design Approach, thus enabling evolution of the MPSE design to reach faster- better-cheaper alternatives; and ii) to create a bridge between the accomplishments of this Project and future projects of higher TRL, beyond TRL 6 level. It is important to note that the TEA model created in the Project stirred the technological solutions for the recovery of critical materials toward a vision of a very profitable modular plant that has unique zero-waste water discharge signature. More importantly, thanks to our experimental performance data and conservative assumptions, the TEA model predicts minimal technological and investment risks. Low cost of a modular unit of a nominal capacity of [1000 tons of Li 2 CO 3 /year] positions the MPSE based technology within the reach of community investors, thus offering a paradigm shift in the development of critical technologies. The project successfully navigated two primary challenges: solvent selection and manufacturing adaptation. Restricted by the SOPO to existing literature for lithium recovery, the team identified a critical need for a "material excellence program" to develop next-generation solvents, eventually concluding with a preliminary investigation into promising Ionic Liquids (ILs). Simultaneously, COVID-19 supply chain disruptions forced a pivot from traditional manufacturing to advanced additive methods at ATAMI-OSU. By transitioning from stainless steel to 3D-printed polymer substrates, the team achieved a transformative three-order-of- magnitude reduction in manufacturing costs and compressed prototyping timelines from several months to just two days. The MPSE technology offers significant energy, environmental, and economic advantages by overcoming the traditional bottlenecks of phase-separation hardware and contactor size. Unlike conventional mixer-settlers or membrane-based systems, MPSE operates without moving parts or fouling-prone membranes, achieving robust performance even with challenging, viscous, or particulate-heavy feeds. Key performance metrics include an energy intensity reduction of 5–50x (3–40 kJ/m 3 ) compared to incumbent technologies and a dramatic reduction of processing time to under 60 seconds, which drastically reduces the physical plant footprint. These technical efficiencies translate into superior economic outcomes; for a 100 t/year Li 2 CO 3 facility, implementing MPSE is projected to nearly halve contactor CAPEX (from $\$$6.08M to $\$$3.01M) and significantly increase the project's Net Present Value (NPV), derisking new investment and enabling distributed critical-mineral processing configurations. The commercialization of MPSE technology is being spearheaded by Vigsur Dynamics Inc., which has adopted a structured, parallel approach to technical and business development since its formation in January 2026. Following extensive customer discovery and engagement with the Oregon State University accelerator, Vigsur Dynamics is working to establish a business model that transitions from pilot demonstrations to modular hardware sales, ultimately aiming for a "build-own-operate" service strategy. Current technical milestones—including 100 hours of continuous operation, superior energy efficiency, and successful 6-unit modular scale-up— provide a foundation for this transition. Backed by ongoing IP licensing and a growing network of industrial and venture advisors, the company is actively de-risking the platform to replace conventional mixer-settler systems in the critical minerals market.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Development of Gen-II LAPPD TM Systems For Nuclear Physics Experiments

The technical objectives of this Phase I program were to; Demonstrate proof of concept of a pin-free pixelated readout using an inside-out approach. “Inside-out” is a novel approach for having the ground plane on the inside (floor of the anode facing the MCP stack-up) and anode pads on the outside of the LAPPD. The goal is a demonstration of capacitive coupling through the bottom anode plate (9.02 x 8.66”), using ceramic, and, optionally, glass tile components; Develop a ceramic package or Lower Tile Assembly (LTA) consisting of hermetically sealing a ceramic sidewall to a ceramic anode producing a single unit capable of housing the MCP stack up enabling development of a Gen II LAPPDTM having low loss, high bandwidth and mechanical robustness. The ceramic bodies used in this Task will be the same as in Task 1 and Task 3. Our goal was to work with commercial suppliers to economically fabricate the ceramic components; Evaluate alternative LAPPD top window materials to determine compatibility in sealing to the ceramic sidewall described in Task 2. Concurrently we will specify and select an alloy seal material suitable for sealing the top window to the sidewall, and we will perform sealing trials of these components; Demonstrate electrical characteristics of the inside-out anode in the detector context, the seal integrity of the bonded two-piece ceramic lower tile assembly (LTA) as well as the hermetic seal quality of the window to the sidewall; and Secure at least one specific NP, HEP or commercial application for a Gen II LAPPDTM enabled by this technology to be developed in Phase II.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2019

Long-Term Stewardship Optimization for a Decommissioned Nuclear Reactor - 19579

The decommissioned Hallam Nuclear Power Facility (Hallam), located in Lancaster County, Nebraska, approximately 19 miles south of Lincoln, was developed as a prototype to investigate the technical and economic feasibility of a sodium-cooled, graphite-moderated nuclear reactor. As part of its Power Demonstration Program, the US Atomic Energy Commission (US AEC), a predecessor agency of the US Department of Energy (US DOE), operated the Hallam reactor from 1962 to 1964. The radiological surveillance of the Hallam site was established when the operating agreement between AEC and the Nebraska Public Power District was terminated. The US DOE Chicago Operations Office and the Nebraska Department of Health (NDH) agreed to install a shallow groundwater monitoring system as part of the environmental surveillance program. Surveillance at the site was scheduled to end in fiscal year 2005, with no further activities planned after that. At that time, the plan was to transition the site to the Nebraska Public Power District with future use of the facility to remain restricted. US DOE has title to and responsibility for the entombed radioactive materials. A surveillance and monitoring program was initiated in 1970 by NDH and was funded by US AEC. It included the analysis of samples from deep production wells (groundwater from the regional aquifer at depths greater than 55 meters [180 feet]) at the Sheldon Station. NDH was concerned in 1990 about the possibility of shallow groundwater coming in contact with the buried radiological materials along the buried walls of the reactor. Subsequently, DOE and NDH agreed to further characterize hydrologic conditions and establish a monitoring program in the shallow, perched groundwater zones. The current monitoring program focuses on the shallow, perched groundwater. Today, decades since facility decommissioning, site inspections and groundwater monitoring continue at this Cold War-era legacy site. The US DOE Office of Legacy Management (LM) monitors groundwater as a best management practice in response to a request from the Nebraska Department of Health and Human Services (DHHS). In 2006, LM recommended discontinuing groundwater monitoring because analytical results since 1970 demonstrated there had been no impact to shallow, perched groundwater and no current or anticipated unacceptable risk to human health and the environment. The State of Nebraska did not concur with the recommendation to stop monitoring but did agree to a reduction in sampling and analysis from once a year to once every 2 years--a schedule that began in 2008. An updated assessment of the groundwater monitoring effort was issued in 2016. The entire body of water-quality data continues to demonstrate that there have been no negative impacts to the shallow, perched groundwater from radioactive materials entombed at the site 46 years ago. LM, with concurrence from Nebraska DHHS, changed the sampling frequency, effective in 2018, as follows: once every 5 years from 2021 to 2041 and once every 10 years from 2041 to 2071. In summary, LM remains committed to its primary mission to protect human health and the environment at each of its 92 legacy sites. With results from groundwater sampling events demonstrating compliance for 48 years, the Hallam site was able to set an LM benchmark to optimize long-term stewardship and define an end-state strategy for other decommissioned reactor facilities across the DOE complex. Continued collaboration with local communities, stakeholder, and regulators often leads to outcomes of sound protectiveness without compromise to safety or compliance, as demonstrated by the optimization of the long-term stewardship at the Hallam site. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

The Jefferson Lab Eta Factory Experiment and Applications of PbWO4 Calorimeters in Future Experimental Facilities

The goal of the new JLab Eta Factory (JEF) experiment, conducted with the GlueX detector in Hall D at Jefferson Lab, is to perform measurements of various ¿(') decays with a primary focus on rare neutral modes. The experiment’s physics program ranges from precision tests of low-energy QCD to searches for gauge bosons with masses below 1 GeV that could couple the Standard Model (SM) sector to the dark sector. The experiment will collect a high-statistics data sample of ¿(') mesons produced via a beam of tagged photons. The GlueX detector features a large, nearly uniform acceptance for both neutral and charged particles, enabling efficient identification of complex multi-particle final states. To meet the requirements of the JEF experiment, the inner section of the forward lead-glass calorimeter in the GlueX detector has been upgraded with lead tungstate (PbWO4) scintillating crystals. PbWO4 offers exceptional characteristics, such as a small radiation length and Molire radius, and large light yield, that make it ideal for constructing high- granularity, high-resolution, radiation-hard detectors. These properties enable excellent spatial separation and energy resolution of reconstructed electromagnetic showers, establishing PbWO4 as the material of choice for many high-precision experiments. The JEF experiment began data collection in April 2025 and will operate concurrently with the GlueX experiment, whose primary objective is the search for gluonic excitations in the meson spectrum. I will give an overview of the JEF experiment, the GlueX detector, and the feasibility of further upgrades to support future ¿ physics studies. Special attention will be given to the newly constructed PbWO4 scintillating calorimeter and recent advancements in calorimeter instrumentation.

Somov, Alexander↗
DOE OSTI2016

Honokiol induces autophagic cell death in malignant glioma through reactive oxygen species-mediated regulation of the p53/PI3K/Akt/mTOR signaling pathway

Honokiol, an active constituent extracted from the bark of Magnolia officinalis, possesses anticancer effects. Apoptosis is classified as type I programmed cell death, while autophagy is type II programmed cell death. We previously proved that honokiol induces cell cycle arrest and apoptosis of U87 MG glioma cells. Subsequently in this study, we evaluated the effect of honokiol on autophagy of glioma cells and examined the molecular mechanisms. Administration of honokiol to mice with an intracranial glioma increased expressions of cleaved caspase 3 and light chain 3 (LC3)-II. Exposure of U87 MG cells to honokiol also induced autophagy in concentration- and time-dependent manners. Results from the addition of 3-methyladenine, an autophagy inhibitor, and rapamycin, an autophagy inducer confirmed that honokiol-induced autophagy contributed to cell death. Honokiol decreased protein levels of PI3K, phosphorylated (p)-Akt, and p-mammalian target of rapamycin (mTOR) in vitro and in vivo. Pretreatment with a p53 inhibitor or transfection with p53 small interfering (si)RNA suppressed honokiol-induced autophagy by reversing downregulation of p-Akt and p-mTOR expressions. In addition, honokiol caused generation of reactive oxygen species (ROS), which was suppressed by the antioxidant, vitamin C. Vitamin C also inhibited honokiol-induced autophagic and apoptotic cell death. Concurrently, honokiol-induced alterations in levels of p-p53, p53, p-Akt, and p-mTOR were attenuated following vitamin C administration. Taken together, our data indicated that honokiol induced ROS-mediated autophagic cell death through regulating the p53/PI3K/Akt/mTOR signaling pathway. - Highlights: • Exposure of mice with intracranial gliomas to honokiol induces cell apoptosis and autophagy. • Honokiol triggers autophagy of human glioma cells via the PISK/AKT/mTOR signaling pathway. • P53 induces autophagy via regulating the AKT/mTOR pathway in honokiol-treated glioma cells. • ROS participates in honokiol-induced cell death through the p53-mediated signaling pathway. • Honokiol induces ROS-mediated autophagic cell death via the p53/PI3K/Akt/mTOR mechanism.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Field Demonstration of The Krauklis Seismic Wave In A Novel Mva Method For Geologic CO 2 Storage

The Energy & Environmental Research Center (EERC) conducted a feasibility study of a new, low-impact geophysics monitoring method designed to incrementally track the saturation front of CO 2 injected into a reservoir. The method leverages a new way of transmitting energy from the surface to the reservoir and employs a new subsurface signal called the Krauklis wave (K-wave) and other guided waves for seismic monitoring. The EERC partnered with Seismos, Inc., the company that holds the exclusive technology license for this method, to advance development of K-wave technology, and Denbury Onshore, LLC, to field-test the system. The system was field-tested at Denbury’s Bell Creek oil field, currently undergoing CO 2 -based enhanced oil recovery (EOR) in southeastern Montana. The K-wave system uses a wellhead-mounted source to propagate energy down the wellbore in the form of a tube wave and through the well perforations into the reservoir. Part of the energy transmitted through the perforations into the reservoir converts to slow moving K-waves and/or other guided waves that are expected to propagate through the formation to neighboring wells. The propagated signal would induce tube waves in the neighboring wells that return to the surface to be recorded with a wellhead-mounted receiver. The propagation time of the signal is directly affected by the presence of CO 2 between the wells, so the difference in transit time of the returning signal between pre- and postinjection data sets could be used to help define the lateral extent of a CO 2 saturation front. Objectives of the study were to demonstrate, validate, and evaluate the K-wave method’s ability to monitor the morphology of injected CO 2 and estimate saturation distribution. Results from the demonstration were to be compared to conventional 4-D surface seismic methods, dynamic reservoir simulations, and CO 2 breakthrough data to validate the technology and provide useful information that may result in improvements. Prior to mobilizing for the full-scale K-wave baseline survey, a field test was conducted to better understand wellhead hardware configurations and test the response from the Bell Creek reservoir using three wells. Useful operational information resulted but signal from the first-generation gas release/gas injection source was not recorded in neighboring wells. After the initial field test, numerical modeling of the K-wave method was initiated using parameters specific to the Bell Creek Field. Modeling results indicated that the fundamental concepts behind the K-wave method exhibited problems and revealed a significantly greater attenuation of the signal at the wellbore perforations than expected, totaling on the order of 10-8 from source well to receiver well over a 400-m well spacing. Modeling also showed that greater source frequency bandwidth was needed to produce guided waves within a 30-foot-thick reservoir layer such as that at Bell Creek and that reservoir layer seismic velocity would need to be slower than the velocities of the bounding layers in order to act as a wave guide opposite to what exists at Bell Creek. Modeling results prompted a second field test with a stronger, second-generation displacement source developed in the interim. Concurrent with the second field test, a 3-D seismic survey was acquired to serve as a baseline for project validation and to serve as a monitor data set for the portion of the project area where CO 2 injection had already commenced. The new source was tested using a four-well geometry and failed to produce a detectable signal, which appeared to confirm modeling results and indicated that the Bell Creek Field is not an ideal site for the K-wave test. It was concluded that a source with sufficient strength and bandwidth could not be built to overcome the factors discovered by the modeling within a reasonable amount of time. Several other sites undergoing CO 2 -based EOR were also evaluated; however, none of these sites was amenable because of geology, limitations of source and receiver hardware, or the advanced state of the CO 2 flood. In addition, two other configurations of the source and receiver layout were considered; however, these design modifications either changed the scope of the project or did not meet the goals of the Carbon Storage Program. In consultation with the U.S. Department of Energy (DOE) Project Manager and Technology Manager, a no-go decision was invoked to forego additional expenditures as the technology would not meet current project objectives. Project activities to date have moved the technology forward by developing modeling equations that can be applied elsewhere, advanced the state of wellhead sensors and sources, and spurred improvements to field operations. The 3-D seismic survey in the project area and the dynamic reservoir simulations done as part of this study have provided value for ongoing and future synergistic activities at Bell Creek related to DOE carbon storage goals.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

ARENA: Asynchronous Reconfigurable Accelerator Ring to Enable Data-Centric Parallel Computing

The next generation HPC and data centers are likely to be reconfigurable and data-centric due to the trend of hardware specialization and the emergence of data-driven applications. In this work, we propose ARENA – an asynchronous reconfigurable accelerator ring architecture as a potential scenario on how the future HPC and data centers will be like. Despite using the coarse-grained reconfigurable arrays (CGRAs) as the substrate platform, our key contribution is not only the CGRA-cluster design itself, but also the ensemble of a new architecture and programming model that enables asynchronous tasking across a cluster of reconfigurable nodes, so as to bring specialized computation to the data rather than the reverse. We presume distributed data storage without asserting any prior knowledge on the data distribution. Hardware specialization occurs at runtime when a task finds the majority of data it requires are available at the present node. In other words, we dynamically generate specialized CGRA accelerators where the data reside. The asynchronous tasking for bringing computation to data is achieved by circulating the task token, which describes the dataflow graphs to be executed for a task, among the CGRA cluster connected by a fast ring network. Evaluations on a set of HPC and data-driven applications across different domains show that ARENA can provide better parallel scalability with reduced data movement (53.9 percent). Compared with contemporary compute-centric parallel models, ARENA can bring on average 4.37× speedup. The synthesized CGRAs and their task-dispatchers only occupy 2.93mm 2 chip area under 45nm process technology and can run at 800MHz with on average 759.8mW power consumption. ARENA also supports the concurrent execution of multi-applications, offering ideal architectural support for future high-performance parallel computing and data analytics systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Landrush: Rethinking In-Situ Analysis for GPGPU Workflows

In-situ analysis on the output data of scientific simulations has been made necessary by ever-growing output data volumes and increasing costs of data movement as supercomputing is moving towards exascale. With hardware accelerators like GPUs becoming increasingly common in high end machines, new opportunities arise to co-locate scientific simulations and online analysis performed on the scientific data generated by the simulations. However, the asynchronous nature of GPGPU programming models and the limited context-switching capabilities on the GPU pose challenges to co-locating the scientific simulation and analysis on the same GPU. This paper dives deeper into these challenges to understand how best to co-locate analysis with scientific simulations on the GPUs in HPC clusters. Specifically, our 'Landrush' approach to GPU sharing proposes a solution that utilizes idle cycles on the GPU to provide an improved time-to-answer, that is, the total time to run the scientific simulation and analysis of the generated data. Landrush is demonstrated with experimental results obtained from leadership high-end applications on ORNL's Titan supercomputer, which show that (i) GPU-based scientific simulations have varying degrees of idle cycles to afford useful analysis task co-location, and (ii) the inability to context switch on the GPU at instruction granularity can be overcome by careful control of the analysis kernel launches and software-controlled early completion of analysis kernel executions. Results show that Landrush is superior in terms of time-to-answer compared to serially running simulations followed by analysis or by relying on the GPU driver and hardwired thread dispatcher to run analysis concurrently on a single GPU.

Computer Science↗
DOE OSTI2016

ZEM: Integrated Framework for Real-Time Data and Model Analyses for Robust Environmental Management Decision Making - 16438

Typically environmental management (EM) problems require analysis of large and complex data sets originating from concurrent data streams with different data collection frequencies and pedigree. These big data sets require on-the-fly analysis, assimilation and integration into a series of models with different complexity for various types of model-based analyses. This is needed to provide fast iterative model analyses based on the latest available data to guide decision-making. Furthermore, the data and model are associated with uncertainties. The uncertainties are probabilistic (e.g. measurement errors) and non-probabilistic (unknowns, e.g. alternative conceptual models characterizing site conditions). To address all of these issues, we have developed an integrated framework for real-time data and model analyses for environmental decision-making called ZEM. The framework allows for seamless and on-the-fly integration of data and modeling results for robust and scientifically-defensible decision-making applying advanced decision analyses tools such as Bayesian-Information-Gap Decision Theory (BIG-DT). The framework also includes advanced methods for optimization that are capable of dealing with a large number of unknown model parameters, and surrogate (reduced order) modeling capabilities based on support vector regression techniques. The framework is predominantly coded in Julia, a state-of-the-art high-performance programing language (http://julialang.org) and incorporates the MADS computational tools (Model Analysis and Decision Support; http://mads.lanl.gov). We demonstrate the application of ZEM for data and model analyses at the LANL Chromium site. The ZEM framework will be released as open-source code and can be applied to any environmental management site. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

EPIC Calibration/Validation Experiment Field Campaign Report

A field exercise involving several different kinds of Unmanned Aerial Systems (UAS) and supporting instrumentation systems provided by DOE/ARM and NOAA/NSSL was conducted at the ARM SGP site in Lamont, Oklahoma on 29-30 October 2016. This campaign was part of a larger National Oceanic and Atmospheric Administration (NOAA) UAS Program Office program awarded to the National Severe Storms Laboratory (NSSL). named Environmental Profiling and Initiation of Convection (EPIC). The EPIC Field Campaign (Test and Calibration/Validation) proposed to ARM was a test or “dry-run” for a follow-up campaign to be requested for spring/summer 2017. The EPIC project addresses NOAA’s objective to “evaluate options for UAS profiling of the lower atmosphere with applications for severe weather.” The project goal is to demonstrate that fixed-wing and rotary-wing small UAS have the combined potential to provide a unique observing system capable of providing detailed profiles of temperature, moisture, and winds within the atmospheric boundary layer (ABL) to help determine the potential for severe weather development. Specific project objectives are: 1) to develop small UAS capable of acquiring needed wind and thermodynamic profiles and transects of the ABL using one fixed-wing UAS operating in tandem with two different fixed rotary-wing UAS pairs; 2) adapt and test miniaturized, high-precision, and fast-response atmospheric sensors with high accuracy in strong winds characteristic of the pre-convective ABL in Oklahoma; 3) conduct targeted short-duration experiments at the ARM Southern Great Plains site in northern Oklahoma concurrently with a second site to be chosen in “real-time” from the Oklahoma Mesonet in coordination with the (National Weather Service (NWS)-Norman Forecast Office; and 4) gain valuable experience in pursuit of NOAA’s goals for determining the value of airborne, mobile observing systems for monitoring rapidly evolving high-impact severe weather conditions not observed with current operational systems. OU operated three UAS at the Lamont SGP site – the OU CopterSonde, the OU Iris, and the Meteomatics Meteodrone – under a blanket Federal Aviation Administration (FAA) Certificate of Authorization (COA) allowing flights up to 400 feet above ground level (AGL). The mission for the rotary-wing UAS involved four aircraft, three from the ARM Lamont site and one from an Oklahoma Mesonet site located at Medford, involving a vertical ascent to an altitude of 400 ft (130 m) AGL at ~ 30 minute intervals for ~ 5 hours duration on each of the two experiment days. This operation was conducted in close coordination with NSSL-launched rawinsonde balloons at the two sites, and operation of a fixed-wing UAS from the University of Colorado called the TTwistor that flew mission flight legs between the Lamont site and Medford. The NSSL operation at Medford (outside of ARM) also involved use of their Collaborative Lower Atmosphere Mobile Profiling System (CLAMPS) ground-based remote-sensing system for measuring atmospheric profiles of temperature, moisture, and winds with atmospheric emitted radiance interferometer (AERI), microwave radiometer, and Doppler wind lidar systems. The ARM Facility supported the project by providing access to their instrumented tower data at Lamont (at three levels), as well as AERI and Doppler wind lidar data obtained from systems quite similar to those used by CLAMPS. These non-UAS data from both ARM and NSSL provided the observations used to validate the experimental UAS observations.

atmospheric boundary layer↗
DOE OSTI2016

Advanced Computational Framework for Environmental Management ZEM, Version 1.x

Typically environmental management problems require analysis of large and complex data sets originating from concurrent data streams with different data collection frequencies and pedigree. These big data sets require on-the-fly integration into a series of models with different complexity for various types of model analyses where the data are applied as soft and hard model constraints. This is needed to provide fast iterative model analyses based on the latest available data to guide decision-making. Furthermore, the data and model are associated with uncertainties. The uncertainties are probabilistic (e.g. measurement errors) and non-probabilistic (unknowns, e.g. alternative conceptual models characterizing site conditions). To address all of these issues, we have developed an integrated framework for real-time data and model analyses for environmental decision-making called ZEM. The framework allows for seamless and on-the-fly integration of data and modeling results for robust and scientifically-defensible decision-making applying advanced decision analyses tools such as Bayesian- Information-Gap Decision Theory (BIG-DT). The framework also includes advanced methods for optimization that are capable of dealing with a large number of unknown model parameters, and surrogate (reduced order) modeling capabilities based on support vector regression techniques. The framework is coded in Julia, a state-of-the-art high-performance programing language (http://julialang.org). The ZEM framework is open-source and can be applied to any environmental management site. The framework will be open-source and released under GPL V3 license.

Vesselinov, VelimirV.↗
DOE OSTI2017

Impact of detector simulation in particle physics collider experiments

Through the last three decades, precise simulation of the interactions of particles with matter and modeling of detector geometries has proven to be of critical importance to the success of the international high-energy physics experimental programs. For example, the detailed detector modeling and accurate physics of the Geant4-based simulation software of the CMS and ATLAS particle physics experiments at the European Center of Nuclear Research (CERN) Large Hadron Collider (LHC) was a determinant factor for these collaborations to deliver physics results of outstanding quality faster than any hadron collider experiment ever before. This review article highlights the impact of detector simulation on particle physics collider experiments. It presents numerous examples of the use of simulation, from detector design and optimization, through software and computing development and testing, to cases where the use of simulation samples made a difference in the accuracy of the physics results and publication turnaround, from data-taking to submission. It also presents the economic impact and cost of simulation in the CMS experiment. Future experiments will collect orders of magnitude more data, taxing heavily the performance of simulation and reconstruction software for increasingly complex detectors. Consequently, it becomes urgent to find solutions to speed up simulation software in order to cope with the increased demand in a time of flat budgets. The study ends with a short discussion on the potential solutions that are being explored, by leveraging core count growth in multicore machines, using new generation coprocessors, and re-engineering of HEP code for concurrency and parallel computing.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Acetic Acid Adsorption and Reactions on Ni(110)

Acetic acid adsorption and reactions at multiple surface coverage values on Ni(110) were studied with temperature-programmed desorption (TPD) and infrared reflection absorption spectroscopy (IRAS) at 90–500 K. The experimental measurements were interpreted with density functional theory (DFT) calculations that provided information on adsorbate geometries, energies, and vibrational modes. Below the monolayer saturation coverage of 0.36 ML at 90 K, acetic acid adsorbs mostly molecularly. Above this coverage, a physisorbed layer is formed with dimers and catemers, without detectable monomers. Dimers and catemers desorb as molecular acetic acid at 157 and 172 K, respectively. Between 90 and 200 K, the O–H bond in acetic acid breaks to form bridge-bonded bidentate acetate that becomes the dominant surface species. Desorption-limited hydrogen evolution is observed at 265 K. However, even after the acetate formation, acetic acid desorbs molecularly at 200–300 K due to recombination. Minor surface species observed at 200 K, acetyls or acetates with a carbonyl group, decompose below 350 K and generate adsorbed carbon monoxide. At 350 K, the surface likely undergoes restructuring, the extent of which increases with acetic acid coverage. The initial dominant bridge-bonded bidentate acetate species formed below 200 K remain on the surface, but they now mostly adsorb on the restructured sites. Here, the acetates and all other remaining hydrocarbon species decompose simultaneously at 425 K in a narrow temperature range with concurrent evolution of hydrogen, carbon monoxide, and carbon dioxide. Above 425 K, only carbon remains on the surface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Benefits of Dual Fuel Heat Pump Grid-responsive Control: A Model-based Control Optimization Approach Using Building and Equipment Co-simulation

Conventional dual fuel heat pumps lack the intelligent control mechanisms to efficiently manage the switch between heat pump and furnace, leading to sub-optimal energy usage and, in some cases, increased operating costs. To resolve this gap, this study applies optimized control on hybrid heat pumps. With a focus on equipment control strategies, we compare the performances of five spacing heating equipment, including a conventional heat pump (HP), a conventional furnace, a dual fuel heat pump (DFHP) with conventional control, a dual fuel heat pump with smart control, and a novel seamlessly fuel flexible heat pump (SFFHP). While DFHP runs on either gas or electricity at any given moment, SFFHP concurrently consumes gas and electricity by continuously optimizing the proportion of each. In this research, a co-simulation framework is developed by integrating a building envelope model with a physics-based heat pump simulation model to analyze the benefits of grid-responsive controls of DFHP and SFFHP. The model-based optimal controls adjust the operation of the heat pump and gas furnace based on utility price signals and marginal grid emission to minimize utility cost and CO 2 emissions for multiple climate zones, different utility tariffs, and marginal grid emission scenarios. Case studies in Chicago and Los Angeles demonstrate that SFFHP and DFHP, with model-based optimal control, can deliver significant reductions in peak demand, utility cost, and CO 2 emission. In Chicago, SFFHP and smart controlled DFHP yield up to 64.7% and 61.7% utility cost reduction and up to 15.7% and 8.5% CO 2 emission reduction compared to the gas furnace. In Los Angeles, SFFHP and smart controlled DFHP achieve up to 43.6% and 40.1% utility cost reduction and up to 13.8% and 14.1% CO2 emission reduction compared to conventional heat pumps. In conclusion, by leveraging the fuel flexibility nature of dual fuel heat pumps, the model-based control optimization approach makes dual fuel heat pump an attractive option for demand response programs.

Control↗
DOE OSTI2015

Extension of Alvis compiler front-end

Alvis is a formal modelling language that enables possibility of verification of distributed concurrent systems. An Alvis model semantics finds expression in an LTS graph (labelled transition system). Execution of any language statement is expressed as a transition between formally defined states of such a model. An LTS graph is generated using a middle-stage Haskell representation of an Alvis model. Moreover, Haskell is used as a part of the Alvis language and is used to define parameters’ types and operations on them. Thanks to the compiler’s modular construction many aspects of compilation of an Alvis model may be modified. Providing new plugins for Alvis Compiler that support languages like Java or C makes possible using these languages as a part of Alvis instead of Haskell. The paper presents the compiler internal model and describes how the default specification language can be altered by new plugins.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Evaluation of Minimum Detectable Activities for Stack Sample Analyses

The Rad-NESHAP program takes samples at major point sources to track how much of select nuclides are being emitted out of the stack. Samples are taken at the site where the radiological operations are being performed. The samples are then sent to analytical laboratories for analysis to determine what nuclides exist in the sample. However, due to the sensitivity of the instruments, false positives are often reported. To reduce the number of false positives, the results reported from the analytical labs are compared to set detection limits. Anything below the set detection limit is considered part of the background while anything above the limit is considered a positive hit. Therefore, the detection limit must be set low enough that any false negatives do not result in a significant dose missed at the end of the year but high enough that there are not enough false positives to skew the annual dose being reported. All detection limits listed in this section for the analyses below were designed to meet the stated equivalent emissions rate and subsequent off-site doses. These minimum detectable activities (MDAs) were developed in the 1990s and documented in the memo cited for each analysis below. These limits and memos are all currently referenced in the Quality Assurance Project Plan (QAPP) for the Rad-NESHAP Compliance Task, which is being updated to a Project Implementation Plan (PIP) concurrently with this document. As part of this update process, the original MDAs defined in this section needed to be verified that they were still conservative and meet the off-site dose levels stated.

2019 MDA↗
DOE OSTI2016

Testing and Analysis of an Exergetically Efficient 4 K to 2 K Helium Heat Exchanger

Modern experimental nuclear physics programs that utilize advanced superconducting devices require refrigeration below the lambda temperature of helium (2.1768 K) and involve sub-atmospheric helium at some point in the process. They typically operate between 1.8 and 2.1 K (16 to 40 mbar) and can require refrigeration ranging from tens to thousands of watts. These processes are very energy intensive, requiring roughly 850 W/W even for large and well?designed refrigerators, though they can easily require much more. Adiabatic expansion of sub-cooled liquid helium to these sub-atmospheric pressures will result in a two-phase mixture with a large liquid to vapor density ratio. Since there are no practical expanders to handle this condition, a counter flow heat exchanger is used to cool the super-critical helium supply using the returning sub-atmospheric helium. Typically, the super-critical helium exiting this 4.5 K to 2-K counter flow heat exchanger is throttled across an expansion valve to a sub-atmospheric pressure. This is a substantial irreversibility, typically 13 percent of the enthalpy difference between the load supply and return. A significant process improvement is theoretically obtainable by handling the exergy loss across the expansion valve supplying the flow to the load in a simple but different manner. The exergy loss can be minimized by allowing the supply flow pressure to decrease to a sub-atmospheric pressure concurrent with heat exchange with the sub-atmospheric flow from the load. This dissertation work encompasses testing of a practical implementation using a Collin's type heat exchanger to investigate the overall performance, as well as, the optimum selections of independent process parameters and how this affects the heat exchanger size distribution. The thermodynamics of heat exchange with a significant pressure drop for a non-ideal fluid are investigated, in regards to an equivalent expansion efficiency pseudo-property, a practical process expansion efficiency equivalence and an overall 2-K system performance improvement expectation. Theoretically predicted optimum independent process parameters are compared to those measured.

Knudsen, Peter↗