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DOE OSTI2013

Oak Ridge National Laboratory DOE Site Sustainability Plan (SSP) with FY 2013 Performance Data

Oak Ridge National Laboratory (ORNL) is both the largest science and energy laboratory of the US Department of Energy (DOE) and one of the oldest national laboratories still operating at its original site. These characteristics provide the Sustainable Campus Initiative (SCI) both a unique opportunity and a unique challenge to integrate sustainability into facilities and activities. As outlined in this report, SCI is leveraging the outcomes of ORNL’s DOE-sponsored research and development programs to maximize the efficient use of energy and natural resources across ORNL. Wherever possible, ORNL is integrating technical innovations into new and existing facilities, systems, and processes with a widespread approach to achieving Executive Order 13514. ORNL continues to pursue and deploy innovative solutions and initiatives to advance regional, national, and worldwide sustainability and continues to transform its culture and engage employees in supporting sustainability at work, at home, and in the community. Table 1 summarizes ORNL's FY 2013 performance and planned actions to attain future goals. ORNL has achieved numerous successes during FY 2013, which are described in detail throughout this document.

Nichols, Teresa A.↗

DOE OSTI2020

A Computational Efficient Space-Vector Modulation Scheme for A Hybrid Seven-Level Converter for Medium Voltage Grid-Tied Applications

In this paper, a fast space-vector modulation (SVM) scheme is proposed for a hybrid 7-level (7-L) converter, i.e., cascaded T-type converter and H-bridge converters, for grid-tied applications. Using oblique coordinate reference, the proposed SVM can quickly locate the switching triangle enclosing the reference vector in the 7-L space vector diagram. Then all available switching sequences and vector duty cycles are acquired by straightforward calculation without using any look-up tables, which significantly reduces the computational cost. The floating capacitor voltages are also stabilized by using the proposed SVM. Experimental studies on a scale-down prototype are presented in this work to validate the effectiveness of the proposed scheme.

Diao, Fei↗

DOE OSTI2026

Complete the Design, Cost Estimate, Assembly Plan, and Operating Instructions for a Bench-Scale Packed-Bed Tubular Methanol Catalyst Testing System

This report details the design of a test stand that converts carbon dioxide and hydrogen into methanol via a two-step process. The first step is a reverse water-gas shift reaction, carried out at 600°C and 25 bar to reduce carbon dioxide to carbon monoxide, and the second is a synthesis reaction that forms methanol at 260°C and 75 bar. The purpose of the system is to test catalysts for each of these steps. The test stand produces approximately 1.5 gallons of crude methanol (methanol mixed with water) per day, and recycles unreacted syngas for increased efficiency. At peak recycle, the stand is expected to consume 0.29 cylinders per day of carbon dioxide and 1.43 cylinders per day of hydrogen. It is planned to be built next to the Blue Star electrolysis unit in the Energy Systems Laboratory (ESL) and includes future plans of acquiring hydrogen from that stand rather than gas cylinders. At this phase of research, three key documents have been produced, as summarized in Table 1. These documents are primarily intended to describe the system and its operation, demonstrate that selected components are appropriate for the intended application, identify potential hazards, safeguards, and mitigation strategies, and ensure that the system is designed to appropriate standards. The body of the report and its appendices provide a narrative of the work completed in FY25. The parts required to build the test stand will be procured and assembled in FY26. Testing will be conducted in the final quarter.

10 - SYNTHETIC FUELS↗

DOE OSTI2023

Modeling Intercalation Chemistry with Multiredox Reactions by Sparse Lattice Models in Disordered Rocksalt Cathodes

Modern battery materials can contain many elements with substantial site disorder, and their configurational state has been shown to be critical for their performance. The intercalation voltage profile is a critical parameter to evaluate the performance of energy storage. The application of commonly used cluster expansion techniques to model the intercalation thermodynamics of such systems ab initio is challenged by the combinatorial increase in configurational degrees of freedom as the number of species grows. Such challenges necessitate the efficient generation of lattice models without overfitting and proper sampling of the configurational space under the requirement of charge balance in ionic systems. In this work, we introduce a combined approach that addresses these challenges by (1) constructing a robust cluster expansion Hamiltonian using the sparse regression technique, including -norm regularization and structural hierarchy; and (2) implementing semigrand-canonical Monte Carlo to sample charge-balanced ionic configurations using the table-exchange method and an ensemble average approach. These techniques are applied to a disordered rocksalt oxyfluoride (LMNOF) that is part of a family of promising earth-abundant cathode materials. The simulated voltage profile is found to be in good agreement with experimental data and particularly provides a clear demonstration of the and oxygen contributions to the redox potential as a function of content.

25 ENERGY STORAGE↗

DOE OSTI2016

SU-F-P-37: Implementation of An End-To-End QA Test of the Radiation Therapy Imaging, Planning and Delivery Process to Identify and Correct Possible Sources of Deviation

Purpose: To implement an end-to-end QA test of the radiation therapy imaging, planning and delivery process, aimed to assess the dosimetric agreement accuracy between planned and delivered treatment, in order to identify and correct possible sources of deviation. To establish an internal standard for machine commissioning acceptance. Methods: A test involving all steps of the radiation therapy: imaging, planning and delivery process was designed. The test includes analysis of point dose and planar dose distributions agreement between TPS calculated and measured dose. An ad hoc 16 cm diameter PMMA phantom was constructed with one central and four peripheral bores that can accommodate calibrated electron density inserts. Using Varian Eclipse 10.0 and Elekta XiO 4.50 planning systems, IMRT, RapidArc and 3DCRT with hard and dynamic wedges plans were planned on the phantom and tested. An Exradin A1SL chamber is used with a Keithley 35617EBS electrometer for point dose measurements in the phantom. 2D dose distributions were acquired using MapCheck and Varian aS1000 EPID.Gamma analysis was performed for evaluation of 2D dose distribution agreement using MapCheck software and Varian Portal Dosimetry Application.Varian high energy Clinacs Trilogy, 2100C/CD, 2000CR and low energy 6X/EX where tested.TPS-CT# vs. electron density table were checked for CT-scanners used. Results: Calculated point doses were accurate to 0.127% SD: 0.93%, 0.507% SD: 0.82%, 0.246% SD: 1.39% and 0.012% SD: 0.01% for LoX-3DCRT, HiX-3DCRT, IMRT and RapidArc plans respectively. Planar doses pass gamma 3% 3mm in all cases and 2% 2mm for VMAT plans. Conclusion: Implementation of a simple and reliable quality assurance tool was accomplished. The end-to-end proved efficient, showing excellent agreement between planned and delivered dose evidencing strong consistency of the whole process from imaging through planning to delivery. This test can be used as a first step in beam model acceptance for clinical use.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2021

Fast All-sky Radiation Model for Solar applications (FARMS) [SWR-16-18]

The Fast All-sky Radiation Model for Solar applications (FARMS) is used to compute cloudy irradiance. Radiative transfer (RT) models simulating broadband solar radiation have been widely used by atmospheric scientists to model solar resources for various energy applications such as operational forecasting. Due to the complexity of solving the RT equation, the computation under cloudy conditions can be extremely time consuming though many approximations (e.g. two-stream approach and delta-M truncation scheme) have been utilized. Thus, a more efficient RT model is crucial for model developers as a new option for approximating solar radiation at the land surface with minimal loss of accuracy. We have developed a fast all-sky radiation model for solar applications (FARMS) using the simplified clear-sky RT model, REST2, and simulated cloud transmittances and reflectances from the Rapid Radiation Transfer Model (RRTM) with a sixteen-stream Discrete Ordinates Radiative Transfer (DISORT). Simulated lookup tables (LUTs) of cloud transmittances and reflectances were created by varying cloud optical thicknesses, cloud particle sizes, and solar zenith angles. Equations with optimized parameters were fitted to the cloud transmittances and reflectances to develop the model. Using this model the all-sky solar irradiance at the land surface can be computed rapidly by combining REST2 with the cloud transmittances and reflectances. This new RT model is more than 1000 times faster than those currently utilized in solar resource assessment and forecasting since it does not explicitly solve the RT equation for each individual cloud condition. Our results indicate the accuracy of the fast radiative transfer model is comparable to or better than two-stream approximation in term of computing cloud transmittance and solar radiation.

Xie, Yu↗

DOE OSTI2023

Fast All-sky Radiation Model for Solar applications (FARMS) 2023 [SWR-16-18]

Xie, Yu↗

DOE OSTI2016

A Fast All-sky Radiation Model for Solar applications (FARMS): Algorithm and performance evaluation

Not Available

Xie, Yu↗

DOE OSTI2026

Heat load measurements for the PIP-II pHB650 cryomodule

Phase-3 testing of the pHB650 cryomodule at the PIP-II Injector Test Facility was conducted to evaluate the effectiveness of heat load mitigations performed after earlier phases of testing and to continue pinpointing any sources of unexpectedly high heat loads.. The programme measured HTTS, LTTS, and 2 K isothermal/non-isothermal loads under "standard", "linac", and "simulated dynamic" operating modes, recording data both inside the cryomodule and across the bayonet can circuits. Thermal-acoustic oscillations were eliminated by replacing the original G10 cooldown-valve stem with a stainless-steel stem fitted with wipers. A newly developed Python script automated acquisition of ACNET data, performed real-time heat-load calculations, and generated plots and tables that were posted to the electronic logbook within minutes, vastly reducing manual effort and accelerating feedback between SRF and cryogenics teams. Analysis showed that JT heat-exchanger effectiveness and temperature stratification in the two-phase and relief piping strongly influence the observed loads and helped isolate sources of excess heat. The campaign demonstrates that rigorous pre-test planning, real-time diagnostics, and automated reporting can improve both accuracy and efficiency, providing a template for future PIP-II cryomodule tests and for implementing targeted heat-load mitigations.

Porwisiak, D. [Fermilab; Wroclaw Tech. U.] (ORCID:↗

DOE OSTI2015

Hydropower Projects: Fiscal Years 2008 - 2014

The Water Power Program helps industry harness this renewable, emissions-free resource to generate environmentally sustainable and cost-effective electricity. Through support for public, private, and nonprofit efforts, the Water Power Program promotes the development, demonstration, and deployment of advanced hydropower devices and pumped storage hydropower applications. These technologies help capture energy stored by diversionary structures, increase the efficiency of hydroelectric generation, and use excess grid energy to replenish storage reserves for use during periods of peak electricity demand. In addition, the Water Power Program works to assess the potential extractable energy from domestic water resources to assist industry and government in planning for our nation’s energy future. From FY 2008 to FY 2014, DOE’s Water Power Program announced awards totaling approximately $62.5 million to 33 projects focused on hydropower. Table 1 provides a brief description of these projects.

13 HYDRO ENERGY↗

DOE OSTI2024

Measuring Economy-Wide Circularity of the United States: An Input-Output Model in Mass Units

The ideal of creating closed material cycles by transforming the way we make, use and repurpose goods has become known as the circular economy. Besides its visionary appeal, material efficiency strategies central to circular economy can allow us to meet decarbonization goals that are otherwise out of reach. Production of basic materials such as cement, iron and steel and petrochemicals is one of the largest drivers of greenhouse gas emissions. Measuring circularity, and understanding its relationship with other sustainability metrics, however, is still difficult due to lack of data in mass units covering the entire economic system. Input-output (I-O) tables were originally created as a means of tracking the monetary flows that represent exchanges of goods and services within an economy, but have found additional uses in life cycle assessment and material flow accounts. In the traditional approach of environmentally extended I-O tables, emissions and energy data augment monetary flows. This approach can lead to price effects that distort physical quantities. Also, circular economy strategies and their goals relate to mass, not monetary flows. Therefore, it is best to simulate them using physical quantities. With these issues in mind, we have developed I-O tables in mass units to measure the flow of goods in the U.S. economy. This allows us to better measure how circular the economy really is, and how policy changes to affect this circularity may also affect decarbonization goals. Improving knowledge of these linkages could allow manufacturers to make changes in their production to achieve their sustainability and decarbonization targets. Our tool also provides a standard approach and public repository for data in physical units, making such data more available, useful, and meaningful. Following an established set of material flow metrics used by the European Union, we have used our tool to calculate material footprints over time differentiated by oil and gas versus other extractive industries. This approach also shows the relative trade balances of the U.S. in materials. We have developed a case study for the iron and steel sector, showing how different decarbonization scenarios affect not only economy-wide greenhouse gas emissions, but also total material use.

circular economy↗

DOE OSTI2020

Calculating Potential Radiological Emissions for Waste Management Activities at INL - 20068

At Idaho National Laboratory (INL), work involving radionuclides is evaluated for potential emissions from a project in order to comply with the National Emission Standards for Hazardous Air Pollutants (NESHAP) regulations, 40 CFR 61 Subpart H. Emission calculations are documented in an Air Permitting Applicability Determination (APAD) to analyze unmitigated and mitigated emissions and determine if an Application to Construct (ATC) or continuous monitoring is required. To calculate the unmitigated and mitigated emissions, a spreadsheet was developed to provide ease in determining potential emissions by providing the maximum operating temperature and the material being used. The spreadsheet aids in determining the potential emissions for research projects and waste management activities at Materials and Fuels Complex (MFC) and other locations across the INL site. Furthermore, it can also be used for periodic confirmatory measurements (PCM) to justify low emissions. Elements that factor into the unmitigated and mitigated calculations include the amount of each radionuclide used (in curies or grams), specific activity (if amount is given in grams), the temperature the material is heated to in Celsius, the dose conversion factor which is derived from Clean Air Act Assessment Package - 1988 (CAP-88) modeling, and the number of HEPA filters used for mitigated measures. The main drivers for calculating the unmitigated emissions for a project are the amount used per radionuclide, the maximum operating temperature, and the location of the work. The maximum operating temperature determines the airborne release factor which is dependent on the physical state of the radionuclide. Prior to October 2017, if the radionuclide was heated to greater than 100 deg. C, the radionuclide was assumed to be a gas, which has the highest airborne release factor. This assumption would be overly conservative for radionuclides with high melting and boiling points, which provided a challenge to demonstrate low emissions. In October 2017, the Environmental Protection Agency (EPA) approved an alternative method for INL. This method allows the airborne release factor to be determined by using the melting point and 90% of the boiling point of the radionuclide. This methodology was included in the spreadsheet to allow unmitigated emission calculations for APADs to be completed more efficiently and effectively. Results show a reduction in time completing air emission calculations as well as lower total emissions across all facilities at INL. MFC annual emissions were reduced by 62% from the previous year and Research and Education Campus (REC) facilities were reduced by 38% due to implementation of the approved alternative method. Time spent on APADs, PCMs, and documentation for the annual NESHAP report was also reduced significantly. The spreadsheet provided in Table I provides the potential emission calculations for the 'Advanced Retrieval and Disposition Techniques for Remote Handled Mixed Low Level Waste (RH MLLW) at the Radioactive Scrap and Waste Facility (RSWF)' project. Calculations show the Potential Effective Dose Equivalent (PEDE) at RSWF to be 7.27 E-04 mrem/yr (7.27 E-09 Sv/yr) which is well below the 0.1 mrem/yr threshold. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2026

Approximation of refrigerant thermophysical properties using neural networks to speed up transient thermofluid simulations

Accurate and efficient evaluations of refrigerant thermophysical properties and their partial derivatives are essential for transient simulations of thermofluid systems, where several computations need to be executed at each integration time step. Since the utilization of an Equation of State for retrieving properties based on a pair of independent inputs typically involves numerical iterations in solution procedures, when the input variables differ from the refrigerant state variables employed in dynamic models, a variety of approaches including lookup table interpolation and curve fitting have been developed to explicitly approximate these properties based on the state variables, and consequently eliminate internal iterations. This paper presents an alternative method that exploits derivative-informed neural networks to model refrigerant properties explicitly from inputs of pressure and enthalpy, while ensuring consistent partial derivatives generated by differentiating the neural networks. Computational speed and accuracy of the proposed approach are demonstrated via transient simulations of a discretized heat exchanger model in Modelica, and comparisons against other property evaluation routines. Simulation results indicate that the proposed approach can realize a significant speedup with negligible discrepancies in predicted transients. The method is implemented in an open-source Modelica library.

Ma, Jiacheng↗

DOE OSTI2011

GROUNDWATER MONITORING REPORT GENERATION TOOLS - 12005

Compliance with National and State environmental regulations (e.g. Resource Conservation and Recovery Act (RCRA) and Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA) aka SuperFund) requires Savannah River Site (SRS) to extensively collect and report groundwater monitoring data, with potential fines for missed reporting deadlines. Several utilities have been developed at SRS to facilitate production of the regulatory reports which include maps, data tables, charts and statistics. Components of each report are generated in accordance with complex sets of regulatory requirements specific to each site monitored. SRS developed a relational database to incorporate the detailed reporting rules with the groundwater data, and created a set of automation tools to interface with the information and generate the report components. These process improvements enhanced quality and consistency by centralizing the information, and have reduced manpower and production time through automated efficiencies.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2017

Toward Improved Modeling of Spectral Solar Irradiance for Solar Energy Applications: Preprint

This study introduces the National Renewable Energy Laboratory's (NREL's) recent efforts to extend the capability of the Fast All-sky Radiation Model for Solar applications (FARMS) by computing spectral solar irradiances over both horizontal and inclined surfaces. A new model is developed by computing the optical thickness of the atmosphere using a spectral irradiance model for clear-sky conditions, SMARTS2. A comprehensive lookup table (LUT) of cloud bidirectional transmittance distribution functions (BTDFs) is precomputed for 2002 wavelength bands using an atmospheric radiative transfer model, libRadtran. The solar radiation transmitted through the atmosphere is given by considering all possible paths of photon transmission and the relevent scattering and absorption attenuation. Our results indicate that this new model has an accuracy that is similar to that of state-of-the-art radiative transfer models, but it is significantly more efficient.

14 SOLAR ENERGY↗

DOE OSTI2012

Groundwater Monitoring Report Generation Tools - 12005

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2021

Understanding Solar Photovoltaic System Performance: An Assessment of 75 Federal Photovoltaic Systems

This report presents a performance analysis of 75 photovoltaic systems based on PV system production data collected as part of a FEMP Federal PV Performance Assessment project combined with co-incident insolation, and ambient temperature to analyze how actual performance compares with a performance model. FEMP collaborated with 17 Federal agencies and sub-agencies to collect the information required to analyze the performance of each system. The systems represent a total capacity of 30,714 kW and range in size from 1 kW to 4,043 kW, with an average size of 410 kW, and were installed between 2011 and 2020. The data is analyzed for Key Performance Indicators, Availability, Performance Ratio and Energy Ratio by comparing the measured production data to model production data. The System Advisor Model (SAM) combines a description of the system (such as inverter capacity, de-rating for temperature, balance-of-system efficiency) with environmental parameters (coincident solar and temperature data) to calculate predicted performance. The performance metrics are calculated by lining up the measured production data with the model estimate on an hour-by-hour, day-by-day, or month-by-month basis (depending on the interval resolution of the production data). A report with system description, photo of the system, special assumptions made for the site, graph of measured production and model production, table of key performance indicators, and links to O&M resources that might improve performance was produced and delivered to site and agency staff with a short on-line briefing.

14 SOLAR ENERGY↗

DOE OSTI2024

ETHOS: An automated framework to generate multi-fidelity constitutive data tables and propagate uncertainties to hydrodynamic simulations

Accurate constitutive data, such as equations of state and plasma transport coefficients, are necessary for reliable hydrodynamic simulations of plasma systems such as fusion targets, planets, and stars. Here, we develop a framework for automatically generating transport-coefficient tables using a parameterized model that incorporates data from both high-fidelity sources (e.g., density functional theory calculations and reference experiments) and lower-fidelity sources (e.g., average-atom and analytic models). The framework incorporates uncertainties from these multi-fidelity sources, generating ensembles of optimally diverse tables that are suitable for uncertainty quantification of hydrodynamic simulations. We illustrate the utility of the framework with magnetohydrodynamic simulations of magnetically launched flyer plates, which are used to measure material properties in pulsed-power experiments. We explore how changes in the uncertainties assigned to the multi-fidelity data sources propagate to changes in simulation outputs and find that our simulations are most sensitive to uncertainties near the melting transition. The presented framework enables computationally efficient uncertainty quantification that readily incorporates new high-fidelity measurements or calculations and identifies plasma regimes where additional data will have high impact.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗