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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 OSTI2023

PARETO 0.8.0 Release

PARETO 0.8.0 Release. Highlights: Model Updates - Applied unified sets for pipeline and trucking arcs in strategic model - Apply unified sets for pipeline and trucking arcs in operational model - Added new config argument for removal efficiency calculation method - Standardized bidirectional capacity constraint - Added dependencies removed in IDAES 2.1 - Created bounding functions & utilities - Added Hydraulics module to the strategic model - Add additional arc types to strategic model Documentation and Tutorial Updates - Improved PARETO treatment document - Introduced general tutorial and treatment module Jupyter notebooks for Strategic Model - Update docs with correct support email list address - Consolidate and deduplicate Getting Started and resources for developers - Enable Black formatting for Jupyter notebooks - Add Binder configuration files and README Bug Fixes - Fix strategic model documentation typos - Removed duplicated units from output file header UI Updates - Added view for comparing different scenarios - Added functionality for manually overriding PARETO decisions

PARETO,PARETO-UI,PSE,Process Systems Engineering,P↗

DOE OSTI2020

Determination of Total, Organic, and Inorganic Carbon in Biological Cultures and Liquid Fraction Process Samples

This procedure describes a method for analyzing dissolved and suspended total carbon, in organic and inorganic form in biological cultures, in the presence or absence of cells, and liquid fraction conversion process samples. This method calculates total organic carbon by subtraction of inorganic carbon, derived from sample acidification, from total dissolved carbon by combustion at 680°C with detection of derived gaseous CO 2 by a non-dispersive infrared (NDIR) sensor. The inclusion of details on a process step of heat treating biologically active samples before analysis can potentially halt biological activity, preserving carbon stores and allowing for accurate quantification of the carbon content at the time of sample collection.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Theoretical Yields for 188 W Production in the High Flux Isotope Reactor

Accurately predicting the production yield of 188 W and 191 Os from enriched 186W metal rings irradiated in HFIR is not straightforward. Two key factors can lead to significant uncertainty or inaccuracy in yield predictions: The effect of neutron flux depression in the dense tungsten metal target. Inaccuracy of the currently published 187 W thermal neutron absorption cross section. This manuscript reports the calculated yields for 188 W, 191 Os, and total osmium mass for the NM-888 target that was irradiated in High Flux Isotope Reactor (HFIR) Cycles 487 and 488. Three different yield calculation methods were used and are described herein. The results are presented in terms of total yield and in terms of yield per target mass. This allows for an approximate estimation of yields for future targets of varying mass loading but with similar irradiation profiles. For more accurate prediction yields, target-specific models that account for target loading, target positioning within HFIR, and accurate HFIR cycle data are required.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Impact of Increased Latent Generations on Sensitivity Calculations with SCALE [Slides]

Depending on the system, energy, and/or nuclide, altering the number of latent generations can significantly impact generated sensitivity coefficients. In general, as the number of latent generations increases, the accuracy of the generated sensitivity value compared with the DP value increases and there is a significant increase in the uncertainty with generated sensitivity values. IFP generated sensitivities appear to be more stable than those with CLUTCH. Complex systems, even with IFP and increased latent generations can still produce poor results (i.e., MPC- 32). This reiterates the importance of performing DPs to confirm sensitivities. IFP-Shift and CLUTCH can take advantage of parallel computing abilities. Work continues in this area as additional parameters and calculational methods are examined to provide analysts insights to successfully generating sensitivity coefficients for confirmatory analyses and validation efforts.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Comparison of Temperature-Dependent Cross Section Treatments Within the Shift Monte Carlo Radiation Transport Code

Multiple calculation methods have been developed to account for Doppler broadening of cross sections in Monte Carlo radiation transport simulations. This work compares the accuracy and performance of four different broadening methods, including an on-the-fly multipole treatment, applied to three different geometries of increasing complexity, including a nuclear reactor assembly with a realistic temperature profile. The comparisons reveal how the combination of physics implementations in the Shift Monte Carlo code result in slightly different temperature-dependent behavior, and different levels of performance, for a variety of materials and situations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Wind Turbine Design Guideline DG03: Yaw and Pitch Bearings

This design guideline describes the design criteria, calculation methods, and applicable standards recommended for use in performance and life analyses of ball and roller (rolling) bearings for yaw and pitch motion support in wind turbine applications. The formulae presented here for rolling bearing analytical methods and bearing-life ratings are consistent with methods currently used by wind turbine designers and rolling bearing manufacturers. The original yaw and pitch bearing design guideline was first drafted in 1999 by industry members and finally published in 2009 by the National Renewable Energy Laboratory. It was conceived as the third in a series of design guidelines, but it was the only one actually published by NREL and since has been known by the name "DG03." Other design guidelines were started, but instead of being published by NREL, they eventually became some of the International Electrotechnical Commission wind turbine standards in use today. This updated design guideline includes advances in research and field experiences made between 2009 and 2023. A better understanding of the operating conditions and damage mechanisms, advances in computational design, and publicly available test results facilitate more reliable yaw and pitch bearing designs.

17 WIND ENERGY↗

DOE OSTI2026

Thriving in the Carbon-Aware Market: How to Account for Emissions in the Era of Carbon-Centered Trade Policies

Emerging global policies, such as the European Union's enacted Carbon Border Adjustment Mechanism and similar policies under development in Canada, Australia and the United Kingdom, will place a premium on goods traded into their territories with higher embedded emissions than those produced domestically. U.S. manufacturers could stand to benefit from such policies; given the investments U.S. industry has made to reduce the energy and emission intensities of its operations. For example, the overall GHG intensity of U.S. steel production in 2019 was ~0.96 t CO2/t steel, less than half that of China (~1.97 t CO2/t steel), and bested only by Italy. To realize these benefits, transparent, accurate, interoperable and accepted embedded emissions accounting and calculation methods are required. Achieving this requires overcoming challenges related to data availability, boundary definitions, and product definitions among others, both at individual facilities as well as through value chains. We will present technical findings on methodology considerations and data-availability constraints for determining the emissions of traded goods, using steel as a pilot and leveraging publicly available data. Issues such as determining the appropriate scope for emissions accounting, implications of the specificity of product chosen, emissions allocation in multi-product facilities, and enumeration of emissions for products manufactured across multiple facilities will be discussed. By sharing the results of our efforts, we aim to inform the development and execution of embedded emissions accounting methods from a technical perspective such that U.S. manufacturers can thrive in emerging global markets.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2026

Comparative Assessment of Battery Carbon Footprint Calculation Frameworks to Support U.S. Battery Manufacturing

A “battery passport” is a digital record that provides comprehensive information about an individual battery across its life cycle. This concept has been introduced by Battery Regulation (EU) 2023/1542 [1], which applies to batteries for electric vehicles (EVs), industrial batteries with a capacities greater than 2 kWh, and batteries for light means of transport (LMT) greater than 2kWh sold in the European Union (EU) market – impacting manufacturers and exporters across multiple jurisdictions globally. Among its reporting mandates, a key feature of battery passports is the requirement for a carbon footprint (CF) calculation methodology supported by enhanced data granularity to enable traceable and verifiable CF results. While no other jurisdictions have yet adopted formal battery passport requirements like the EU’s, some are developing CF calculation methods to comply with the EU Battery Regulation or are creating CF-related regulations that could evolve in a similar direction, reflecting the growing importance of battery CF guidelines for manufacturers seeking to remain competitive in global markets.

Zhang, Jingyi [Argonne National Laboratory (ANL), ↗

DOE OSTI2026

Development of a Framework and Methodology for an Advanced Reactor Materials Environmental Effects Design Guide

Advanced non-light-water reactor components may operate at elevated temperature while experiencing cyclic loading, significant neutron irradiation, and exposure to reactor coolant. ASME Boiler and Pressure Vessel Code, Section III, Division 5, provides design rules for elevated-temperature service but does not include specific procedures to account for environmental effects on material properties. This report develops an initial framework and methodology for an Environmental Effects Design Guide (EEDG) focused on neutron irradiation; coolant-environment effects are reserved for future work. The proposed approach treats irradiation as a property-based overlay on the existing Division 5 design process, with two routes: a sparse-data route applying two reduction factors — FCR on creep-rupture strength and FF on fatigue life — for the creep-fatigue evaluations that typically control the design of advanced high-temperature reactor components, and a fuller framework developing the property-to-rule chain across the four Division 5 checks (primary load, strain limits and ratcheting, creep-fatigue, and buckling), together with swelling and weldments as scope items. Both routes are scoped by an in-pile qualification that restricts the use of post-irradiation-examination-derived properties in regimes where an in-pile mechanism could control the design outcome. Illustrative outputs derived on a compiled annealed Type 316 database — FCR ≈ 0.78–0.86 and FF ≈ 0.4 — demonstrate the calculation method within that specific dataset. The framework is an initial, testable design-rule concept; it identifies a practical path for preliminary design evaluations under sparse data and the material data and testing needed to develop the framework further.

Barua, Bipul (ORCID:0000000247184113)↗

DOE OSTI2022

Soil-related developments of the Biome-BGCMuSo v6.2 terrestrial ecosystem model

Terrestrial biogeochemical models are essential tools to quantify climate–carbon cycle feedback and plant–soil relations from local to global scale. In this study, a theoretical basis is provided for the latest version of the Biome-BGCMuSo biogeochemical model (version 6.2). Biome-BGCMuSo is a branch of the original Biome-BGC model with a large number of developments and structural changes. Earlier model versions performed poorly in terms of soil water content (SWC) dynamics in different environments. Moreover, lack of detailed nitrogen cycle representation was a major limitation of the model. Since problems associated with these internal drivers might influence the final results and parameter estimation, additional structural improvements were necessary. In this paper the improved soil hydrology as well as the soil carbon and nitrogen cycle calculation methods are described in detail. Capabilities of the Biome-BGCMuSo v6.2 model are demonstrated via case studies focusing on soil hydrology, soil nitrogen cycle, and soil organic carbon content estimation. Soil-hydrology-related results are compared to observation data from an experimental lysimeter station. The results indicate improved performance for Biome-BGCMuSo v6.2 compared to v4.0 (explained variance increased from 0.121 to 0.8 for SWC and from 0.084 to 0.46 for soil evaporation; bias changed from -0.047 to -0.007 m 3 m -3 for SWC and from -0.68 to -0.2 mm d -1 for soil evaporation). Simulations related to nitrogen balance and soil CO 2 efflux were evaluated based on observations made in a long-term field experiment under crop rotation. The results indicated that the model is able to provide realistic nitrate content estimation for the topsoil. Soil nitrous oxide (N 2 O) efflux and soil respiration simulations were also realistic, with overall correspondence with the observations (for the N 2 O efflux simulation bias was between -0.13 and -0.1 mgNm -2 d -1 , and normalized root mean squared error (NRMSE) was 32.4 %–37.6 %; for CO 2 efflux simulations bias was 0.04–0.17 gCm -2 d -1 , while NRMSE was 34.1 %–40.1 %). Sensitivity analysis and optimization of the decomposition scheme are presented to support practical application of the model. The improved version of Biome-BGCMuSo has the ability to provide more realistic soil hydrology representation as well as nitrification and denitrification process estimation, which represents a major milestone.

58 GEOSCIENCES↗

DOE OSTI2023

A Revised International Standard for Gearboxes in Wind Turbine Systems

Gearbox and wind turbine design and application standards have contributed significantly to improvements in reliability over the past two decades. The International Electrotechnical Commission (IEC) 61400-4 standard of wind turbine gearbox design is currently being revised by a joint working group (JWG) of experts in IEC TC 88 (wind energy) and International Organization for Standardization (ISO) TC60 (gears) to further that effort. Experts from ISO TC4 (rolling bearings) and ISO TC28 (lubricants) have actively participated. This revision has implemented lessons learned from industry use of edition 1 since its publication in 2012. The main document, IEC 61400-4, was pared down to essential design requirements and application-specific recommendations along with a design verification framework. The JWG leveraged concurrent development of other standards, such as IEC 61400-8 on wind turbine structures, to replace edition 1 content. These are described along with how this works with the IEC Renewable Energy certification scheme for wind turbines (IECRE-WE). The JWG recognized the interest in maintaining informative parts of edition 1 including annexes on wind turbine architecture and loads, bearing and gear arrangements, bearing selection, lubrication system descriptions and lubricant performance recommendations. This information was retained in two technical reports: IEC/TR 61400-4-2 Lubrication and IEC/TR 61400-4-3 Explanatory Notes. Additionally, a technical specification, IEC/TS 61400-4-1, was drafted to provide a reliability calculation method for comparing different design options or conditions. Salient elements of these documents are described. All four documents were recently distributed for IEC/ISO review, ballot, and comment. Publication is expected in 2023.

gearbox↗

DOE OSTI2023

A Revised International Standard for Gearboxes in Wind Turbine Systems: Preprint

ENGINEERING,WIND ENERGY↗

DOE OSTI2025

FY25 status report on the addition of candidate materials in Class B Code Case

This report provides the time-dependent allowable stress calculation strategy leveraging the limited creep rupture tests data generated to support the allowable stress for 100,000 hours in American Society of Mechanical Engineers (ASME) Boiler and Pressure Vessel Code (BPVC), Section II, Part D. A variable confidence index procedure to extrapolate material properties to support 500,000 hours design life is discussed. Time-dependent allowable stresses for Class B component design and analysis are presented for Grade 1 and Grade 2 of Alloy 625. The presented data extrapolation and allowable stress calculation method will support new material addition using limited creep rupture data in the new ASME Boiler and BPVC, Section III, Division 5, Class B rules.

Part D↗

DOE OSTI2025

Insulation Activation and Contamination in Low-Power Experiments

Among the diverse advanced nuclear reactor concepts being developed are designs that expect to operate at much higher temperatures than conventional light-water reactors, and therefore require alternative materials for components capable of withstanding these extreme temperatures. Insulation is one such component where alternative high-temperature industrial composites are being considered. Low-power experiments can provide an opportunity for advancing our understanding of material behavior under irradiation; however, these experiments are not without occupational hazards. The focus of this paper is the potential for activation of insulating composites when exposed to neutron fluence during reactor experiments, and to discuss the subsequent contamination of the testing area. This paper will also discuss practical measures for preventing the creation and inhalation of activated particulate matter (i.e., dust), such as engineering and administrative controls and personal protective equipment. This paper evaluates the suitability of several insulation materials for use in reactor experiments based on their activation from neutron irradiation. The materials considered are Pyrogel XTE by Aspen Aerogel, Cerablanket and Kaowool by Morgan Advanced Materials, Thermo-12 Gold by Johns Manville, and Maxsil CF6-2000 by McAllister Mills. Although these materials are not yet widely used in the nuclear industry, they are common in other industries due to their thermal insulating properties. These materials produce dust while handling that can pose health and safety hazards, which could be further exacerbated by activation. The analysis presented in this paper utilizes a deterministic method developed to predict the activation source term of the provided insulation materials. The method calculates the atomic density of each element within the composites and simulates their exposure to a specified neutron flux density representative of low power experimental conditions. During the irradiation phase and throughout the extensive cooling period, neutron absorptions and nuclear decays are tracked for relevant isotopes. The residual activity within each composite is then assessed to identify the material with the lowest potential radiological hazard to workers. Dust will be created during installation and removal of insulating materials and may also be generated during the experiment. Contamination of surrounding surfaces due to dispersion is highly likely unless preventative measures are taken. The results of this analysis are used to estimate an internal dose from inhalation of activated dust, which is significantly lower than the allowable whole-body dose. However, the risk of internal exposure may increase if the dust becomes a transport vector for nuclear material. The goals of this paper are to enhance the understanding of the potential activation and contamination hazards from the use of these insulating materials in low-power nuclear experiments and to foster safer work environments through informed decision-making and strategic planning. This work ultimately contributes to a broader understanding of how new non-nuclear materials for advanced reactors impact the radiological safety of co-located workers, helping to ensure the responsible management of radioactive materials during installation and decommissioning activities.

12 - MGMT OF RADIOACTIVE AND NON-RADIOACTIVE WASTE↗

DOE OSTI2025

Evaluating FRI3D for Cost Savings in Fire Hazard Analysis at DOE Sites

A fire hazard analysis, required for many U.S. Department of Energy (DOE) facilities, is a complex, cumbersome, and costly process. Fire hazard analyses may be viewed as a checkbox, but ideally and in spirit with the DOE-STD-1066, the fire hazard analysis (FHA) should be a part of the workflow and used to help in modifications, maintenance, and improving operational safety. With current FHA development processes, it is both time and cost prohibitive for true integration. A tool called Fire Risk Investigation in 3D or FRI3D was developed under the DOE Light Water Reactor Sustainability program to simplify and automate many aspects of a fire probabilistic risk analysis for existing nuclear power plants. The FRI3D tool automates fire scenarios by combining approved fire simulation codes, U.S. Nuclear Regulatory Commission fire calculations methods, 3D modeling and visualization, and probabilistic risk analysis models into a single workflow supported with a user interface. FRI3D was initially designed for used in combination with a PRA, this case study, evaluated using FRI3D for a plant modification, determined the benefits that detailed fire modeling can have for U.S. Department of Energy facilities with or without a PRA model. It also looked at what tasks from DOE requirements could be reduced using the tool and what is needed to integrate fire hazard analysis into site workflow.

97 - MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Real-Space Pseudopotential Method for the Calculation of Third-Row Elements X-ray Photoelectron Spectroscopic Signatures

X-ray photoelectron spectroscopy (XPS) is a powerful characterization technique that unveils subtle chemical environment differences via core– electron binding energy (CEBE) analysis. We extend the development of realspace pseudopotential methods to calculating 1s, 2s, and 2p 3/2 CEBEs of third-row elements (S, P, and Si) within the framework of Kohn–Sham density-functional theory (KS-DFT). The new approach systematically prevents variational collapse and simplifies core-excited orbital selection within dense energy level distributions. However, careful error cancellation analysis is required to achieve accuracy comparable to all-electron methods and experiments. Combined with real-space KS-DFT implementation, this development enables large-scale simulations with both Dirichlet boundary conditions and periodic boundary conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Deterministic-Monte Carlo Hybrid Methods for Eigenvalue Sensitivity Coefficient Calculations [Slides]

Hybrid method was developed based on a need to generate accurate sensitivities for specified systems with CLUTCH. This new method provides improved sensitivities with HMF-028-001, specifically with 238 U in the large reflector region. With the importance of each voxel predetermined with the adjoint flux, the hybrid method is able to generate more accurate sensitivities. More testing is needed for other types of systems and materials (i.e., thermal and intermediate energy ranges and different moderators and reflectors). Initial results are very promising and continual development of the new hybrid method is currently in progress.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

AC Power Flow Based DLMP Calculation and Decomposition Method to Smooth Power Fluctuation of Distributed Renewable Energy Sources

As the penetration of renewable energy sources increases, the growing renewable power variability brings ramping issues to power systems. Meanwhile, the development of distributed energy resources (DERs) makes the distribution systems to provide both energy and ancillary services. To incentivise individual resources and customers to alleviate ramping issues on the demand side, a two-stage distribution locational marginal price (DLMP) calculation and decomposition method is developed to formulate the marginal power ramping price for DERs. In the first stage of the proposed method, a distribution system operator market scheduling model based on AC optimal power flow is designed to estimate the optimal operating point of the distribution system. Subsequently, the voltage and power flow constraints are linearised in stage two to calculate DLMP. Finally, based on the Lagrange function and sensitivity factors, DLMP is decomposed to the marginal costs for active/reactive power, voltage management, power loss and power variability. Case studies demonstrate that the proposed model can effectively smooth the power fluctuation and reduce the ramping flexibility requirements of distribution systems.

AC optimal power flow↗