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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Neutronics Analysis Supporting Baseline Fuel-Rodlet Irradiation Design in TREAT Multi-SERTTA Vehicle

The Transient Reactor Test (TREAT) Facility is a thermal-spectrum test reactor designed to evaluate reactor fuels and structural material under simulated nuclear excursion and transient power/cooling mismatch situations in nuclear reactors. TREAT was historically operated from 1959 through 1994. There are ongoing activities to resume its transient testing capabilities to support advanced reactor designs and validate computational predictions of fuel and core behavior. Such validation will be an important factor for review and approval of next generation power reactor design and safety evaluations. Historic methods used in TREAT were very approximate and served to estimate a predicted transient power shape. A number of calibration test experiments were then required prior to the actual transient test to better estimate the power that would have been deposited in the experiment during a transient pulse. Much of the experience in the use of these legacy methods has also been lost over the past two decades. Monte Carlo criticality codes are being utilized for calculation of the initial critical state, control rod reactivity worth, and power coupling between core and experiments. Current efforts primarily support neutronics characterization with safety and design analyses for the Multi-SERTTA (Static Environment Rodlet Transient Test Apparatuses) experiment test vehicle, which can accommodate up to four concurrent rodlets under separate environmental conditions. Ongoing efforts are necessary in preparation of transient testing support for Accident Tolerant Fuel (ATF) characterization and other future fuels testing requirements. The power coupling factor (PCF) is one of two key parameters utilized in designing and characterizing the performance of a TREAT fuel irradiation experiment. The second key parameter is the Transient Correction Factor (TCF) which accounts for time-dependent effects. The PCF is the effective quantity of fission-generated energy per mass of fuel specimen per total core energy. The quantity of energy deposited into a fuel rodlet under various test environments can be used to evaluate overall fuel performance, including failure mechanisms and thresholds. Baseline fuel rodlet calculations have been performed to estimate the effectiveness of the Multi-SERTTA test vehicle and optimization of PCF for various test conditions. The baseline serves as reference fuel pin conditions against which calibration and baseline experiments can be performed prior to actual ATF transient testing. Baseline experiments further serve to validate computational analyses and experimental test methods prior to design planning, experimentation, and evaluation of the ATF candidates. This paper serves to document activities performed to evaluate a reference Pressurized Water Reactor (PWR) rodlet design in the TREAT Multi-SERTTA test vehicle. (authors)

42 ENGINEERING↗
DOE OSTI2021

Diagnostic assessment of reservoir response to fracturing: a case study from Hydraulic Fracturing Test Site (HFTS) in Midland Basin

Abstract This paper outlines a data collection and diagnostics case study involving multiple horizontal shale wells. We look at well production profiles using rate transient analysis, differences in near wellbore complexity, geologic variations within the area of interest, as well as compositional differences in the rocks based on cores obtained from within the stimulated reservoir. The Hydraulic Fracturing Test Site is a multi-well experiment involving stimulation of unconventional shale wells in the southeastern Midland portion of the Permian Basin. The targeted formations include both the upper as well as the middle Wolfcamp formations, also referred alternatively as Wolfcamp A and Wolfcamp B. Data integration and analysis shared in this paper help us understand the various geologic controls impacting well productivity, particularly the wide variance observed between the Wolfcamp A and Wolfcamp B formations. Rate transient analysis indicates similar system permeabilities for stimulated wells. However, we observe higher effective fracture half-lengths for upper Wolfcamp wells. Using observations from 3D seismic interpretations (such as pad scale faults) as well as petrophysical and image log data, we highlight the substantial differences in stimulation as we move along the well laterals from the heel toward the toe sections. These differences are further reconciled with observations from zones with high data density at the core locations through stimulated rock, as well as independent data such as microseismic emissions. At the test site, Wolfcamp A was found to be relatively quartz rich with significant heterogeneity whereas Wolfcamp B is richer in clay and organic content. This impacts the geomechanical characteristics of the rock mass with much higher natural fracture density in the shallower interval. Thus, the fracture growth is more uniform in the deeper interval and more heterogeneous with branching likely in upper interval. Increased complexity also leads to consistently better productivity from the wells in the shallower interval as demonstrated from RTA results. This case study is unique because it provides valuable insights from actual sampling of the stimulated zones in hydraulically fractured wells and helps understand impact of various factors that contribute toward variability in well production. The findings from this study provides insights into need for optimization of completion designs in the various Wolfcamp landing zones, such as optimization of cluster or fracture spacing in various Wolfcamp intervals. In addition, it provides a useful template for data collection and research direction in future field test sites of similar nature in unconventional reservoirs.

Energy & Fuels↗
DOE OSTI2016

Silicon-based anodes for lithium-ion batteries: Effectiveness of materials synthesis and electrode preparation

Lithium-ion batteries are widely used throughout the world for portable electronic devices and mobile phones and show great potential for more demanding applications like electric vehicles. Unfortunately, lithium-ion batteries still lack the required level of energy storage to completely meet the demands of such applications as electric vehicles. Among advanced materials being studied, silicon nanoparticles have demonstrated great potential as an anode material to replace the commonly used graphite. Silicon has been shown to have a high theoretical gravimetric capacity, approximately 4200 mA h/g, compared to only 372 mA h/g for graphite. Though silicon nanoparticles have remarkably high capacity, they suffer from rapid degradation with each cycle due to electrode volume expansion of approximately 400% during lithiation, placing a large strain on the material. With each cycle that strain creates cracks in the electrode particles and causes them to break down into smaller particles, which create void spaces between the particles and lead to poor contact as reflected in poor conductivity. In this review, we discuss exciting new research on silicon-based anodes conducted during the past couple of years. Besides stressing the importance of well-designed nanostructures of Si, we focus on optimization of the Si electrode and resulting performance enhancement by properly selecting binders and synergistically integrating them with various carbon materials during electrode design and fabrication. Importantly, although each improvement strategy has its own advantage, appropriate combination of them will yield much higher anode performance. We summarize the core issues in developing the silicon anode and effective strategies in yielding more promising results. (C) 2016 Elsevier Ltd. All rights reserved.

Casimir, Anix↗
DOE OSTI2015

Site-specific probing of charge transfer dynamics in organic photovoltaics

We report the site-specific probing of charge-transfer dynamics in a prototype system for organic photovoltaics (OPVs) by picosecond time-resolved X-ray photoelectron spectroscopy. A layered system consisting of approximately two monolayers of C{sub 60} deposited on top of a thin film of Copper-Phthalocyanine (CuPC) is excited by an optical pump pulse and the induced electronic dynamics are probed with 590 eV X-ray pulses. Charge transfer from the electron donor (CuPC) to the acceptor (C{sub 60}) and subsequent charge carrier dynamics are monitored by recording the time-dependent C 1s core level photoemission spectrum of the system. The arrival of electrons in the C{sub 60} layer is readily observed as a completely reversible, transient shift of the C{sub 60} associated C 1s core level, while the C 1s level of the CuPC remains unchanged. The capability to probe charge transfer and recombination dynamics in OPV assemblies directly in the time domain and from the perspective of well-defined domains is expected to open additional pathways to better understand and optimize the performance of this emerging technology.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Elevating zero dimensional global scaling predictions to self-consistent theory-based simulations

In this work, we have developed an innovative workflow, Stability, Transport, Equilibrium, and Pedestal (STEP)-zero-dimensional (0D), within the OMFIT integrated modeling framework. Through systematic validation against the International Tokamak Physics Activity global H-mode confinement database, we demonstrated that STEP-0D, on average, predicts the energy confinement time with a mean relative error of less than 19%. Moreover, this workflow showed promising potential in predicting plasmas for proposed fusion reactors such as the affordable, robust, compact (ARC) reactor, the European demonstration power plant (EU-DEMO), and the China fusion engineering test reactor (CFETR) indicating moderate H-factors between 0.9 and 1.2. STEP-0D allows theory-based prediction of tokamak scenarios, beginning with 0D quantities. The workflow initiates with the PRO-create module, generating physically consistent plasma profiles and equilibrium using the same 0D quantities as the IPB98(y,2) confinement scaling. This sets the starting point for the STEP module, which further iterates between theory-based physics models of equilibrium, core transport, and pedestal to yield a self-consistent solution. Given these attributes, STEP-0D not only improves the accuracy of predicting plasma performance but also provides a path toward a novel fusion power plant design workflow. When integrated with engineering and costing models within an optimization, this new approach could eliminate the iterative reconciliation between plasma models of varying fidelity. This potential for a more efficient design process underpins STEP-0D's significant contribution to future fusion power plant development.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Towards a high performance geometry library for particle-detector simulations

Thread-parallelization and single-instruction multiple data (SIMD) ”vectorisation” of software components in HEP computing has become a necessity to fully benefit from current and future computing hardware. In this context, the Geant-Vector/GPU simulation project aims to re-engineer current software for the simulation of the passage of particles through detectors in order to increase the overall event throughput. As one of the core modules in this area, the geometry library plays a central role and vectorising its algorithms will be one of the cornerstones towards achieving good CPU performance. Here, we report on the progress made in vectorising the shape primitives, as well as in applying new C++ template based optimizations of existing code available in the Geant4, ROOT or USolids geometry libraries. We will focus on a presentation of our software development approach that aims to provide optimized code for all use cases of the library (e.g., single particle and many-particle APIs) and to support different architectures (CPU and GPU) while keeping the code base small, manageable and maintainable. We report on a generic and templated C++ geometry library as a continuation of the AIDA USolids project. As a result, the experience gained with these developments will be beneficial to other parts of the simulation software, such as for the optimization of the physics library, and possibly to other parts of the experiment software stack, such as reconstruction and analysis.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

SHARP Multiphysics Tutorials

SHARP, developed under the NEAMS Reactor Product Line, is an advanced modeling and simulation toolkit for the analysis of advanced nuclear reactors. SHARP is comprised of three physics modules currently including neutronics, thermal hydraulics, and structural mechanics. SHARP empowers designers to produce accurate results for modeling physical phenomena that have been identified as important for nuclear reactor analysis. SHARP can use existing physics codes and take advantage of existing infrastructure capabilities in the MOAB framework and the coupling driver/solver library, the Coupled Physics Environment (CouPE), which utilizes the widely used, scalable PETSc library. This report aims at identifying the coupled-physics simulation capability of SHARP by introducing the demonstration example called sahex in advance of the SHARP release expected by Mar 2016. sahex consists of 6 fuel pins with cladding, 1 control rod, sodium coolant and an outer duct wall that encloses all the other components. This example is carefully chosen to demonstrate the proof of concept for solving more complex demonstration examples such as EBR II assembly and ABTR full core. The workflow of preparing the input files, running the case and analyzing the results is demonstrated in this report. Moreover, an extension of the sahex model called sahex_core, which adds six homogenized neighboring assemblies to the full heterogeneous sahex model, is presented to test homogenization capabilities in both Nek5000 and PROTEUS. Some primary information on the configuration and build aspects for the SHARP toolkit, which includes capability to auto-download dependencies and configure/install with optimal flags in an architecture-aware fashion, is also covered by this report. A step-by-step instruction is provided to help users to create their cases. Details on these processes will be provided in the SHARP user manual that will accompany the first release.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2018

BOP-301 and BOP-302R: Test Definitions and Analyses

Following the conclusion of the International Atomic Energy Agency (IAEA) coordinated research project (CRP) on analysis of two EBR-II tests, Argonne has continued its EBR-II analysis with additional tests from the Shutdown Heat Removal Test (SHRT) series. The tests selected for this follow-up analysis are BOP-301 and BOP-302R, two unprotected loss of heat of sink tests in which the intermediate sodium pump tripped without scramming the control rods or tripping the primary pumps. The IAEA CRP focused on the SHRT-17 and SHRT-45R tests, the most severe protected and unprotected loss of flow tests performed during the SHRT series. With the primary pumps tripping, flow rates decreased to levels where flowmeter uncertainty was very high. Accurately capturing the progressions of the two tests despite this uncertainty was one of the key modeling and simulation challenges during the CRP. BOP-301 and BOP-302R were selected because the primary sodium pumps did not trip for those tests. Primary flow rate measurements are known with greater certainty. Power and temperature discrepancies can be explored without concern that flow predictions match test measurements but not the actual flow rates from the tests. These two tests were performed during the same test window as SHRT-45R and had the same core load configuration. Therefore, core models created for analysis of SHRT-45R were easily adapted for analysis of BOP-301 and BOP-302R. Another reason for analyzing BOP-301 and BOP-302R is to analyze tests in which the core inlet temperature changed significantly, which did not occur during the loss of flow tests. The transient progression of the unprotected SHRT-45R test was driven by a decreasing core flow rate while the core inlet temperature remained relatively constant. For the BOP tests, the transient progression was driven by an increasing core inlet temperature while the core flow rate was stable. This report defines the BOP-301 and BOP-302R tests and provides a selection of measured test data. Initial predictions from SAS4A/SASSYS-1 simulations of these tests are then presented. Following these simulations, additional analysis was performed with the Dakota uncertainty quantification and optimization toolkit to determine which parameters have the greater impact on the transient results and the optimal values of the most important parameters.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2025

Innovative Nuclear Materials Outboard-A Project Specimen Preparation Guide

The Innovative Nuclear Materials (INM) Program was recently established by the U.S. Department of Energy (DOE) to develop advanced material technologies for use in nuclear reactors. The INM program is presently focused on researching in-core non-fueled materials for application in fast spectrum nuclear reactors. The widespread deployment of fast reactors continues to be a prominent aspiration for advanced nuclear technology developers. However, companies working to license these reactors have no choice but to rely on historic material technologies since further optimization and advancement of these materials is impeded by the lack of fast neutron irradiation test facilities. INM-OA is a non-fueled drop-in experiment which will irradiate material specimens of interest to fast reactor applications. This experiment will be irradiated at Idaho National Laboratory (INL) in the Advanced Test Reactor (ATR) outboard-A (OA) position during normal and high temperature steady state (HTSS) cycles. It will include material specimens supplied by members of the INM program and will utilize a cadmium-lined basket to filter out incident thermal neutrons, thus simulating a faster neutron energy spectrum. Material specimens will undergo post-irradiation examination including microscopy and mechanical testing. In addition to absorption reactions, fast neutrons cause microstructural damage in materials by atom displacement, which can cause exacerbated changes in physical properties and behavior. Thus, the data obtained from the INM-OA experiment will be crucial for understanding the engineering-scale behavior of reactor materials. This document is intended for the Principal Investigators providing samples for this project. Topics included are a general description of the experiment, the irradiation experiment/capsule design, sample geometries, number of samples to be provided, documentation to be provided, a brief list potentially useful characterization methods that can be leveraged at INL, and other miscellaneous requirements specific to this project. This document is intended for informational use only.

innovative nuclear materials↗
DOE OSTI2023

Green-Solvent Processed Blade-Coating Organic Solar Cells with an Efficiency Approaching 19% Enabled by Alkyl-Tailored Acceptors

Power-conversion-efficiencies (PCEs) of organic solar cells (OSCs) in laboratory, normally processed by spin-coating technology with toxic halogenated solvents, have reached over 19%. However, there is usually a marked PCE drop when the blade-coating and/or green-solvents toward large-scale printing are used instead, which hampers the practical development of OSCs. Here, a new series of N-alkyl-tailored small molecule acceptors named YR-SeNF with a same molecular main backbone are developed by combining selenium-fused central-core and naphthalene-fused end-group. Thanks to the N-alkyl engineering, NIR-absorbing YR-SeNF series show different crystallinity, packing patterns, and miscibility with polymeric donor. The studies exhibit that the molecular packing, crystallinity, and vertical distribution of active layer morphologies are well optimized by introducing newly designed guest acceptor associated with tailored N-alkyl chains, providing the improved charge transfer dynamics and stability for the PM6:L8-BO:YR-SeNF-based OSCs. As a result, a record-high PCE approaching 19% is achieved in the blade-coating OSCs fabricated from a green-solvent o-xylene with high-boiling point. Notably, ternary OSCs offer robust operating stability under maximum-power-point tracking and well-keep > 80% of the initial PCEs for even over 400 h. Our alkyl-tailored guest acceptor strategy provides a unique approach to develop green-solvent and blade-coating processed high-efficiency and operating stable OSCs, which paves a way for industrial development.

14 SOLAR ENERGY↗
DOE OSTI2019

Passive decay heat removal system design for the integral inherent safety light water reactor (I 2 S-LWR)

The Integral, Inherently Safe Light Water Reactor (I 2 S-LWR) is an innovative Pressurized Water Reactor (PWR) concept being developed by a multi-institutional team led by Georgia Tech and in collaboration with Westinghouse, under the Department of Energy’s Nuclear Energy University Programs Integrated Research Projects (DOE NEUP IRP). The University of Michigan leads the design of the thermalhydraulic and passive safety systems, in collaboration with Westinghouse and Bringham Young University. The I 2 S-LWR features an integral primary system configuration and is more conducive to the implementation of inherent safety features by eliminating potential accidents. In this paper, a novel passive Decay Heat Removal System (DHRS), is presented, consisting of a primary loop, an intermediate loop and a cooling tower loop. This passive system is designed to remove the I 2 S-LWR decay heat in the case of emergency heat removal transients, without the need for external power or operator action. The proposed DHR uses atmosphere as ultimate heat sink, to achieve indefinite decay heat removal. In this paper, firstly, the design of primary and secondary DHRS heat exchangers is optimized. Then the DHR heat removal characteristics are studied using the best-estimate thermal hydraulic code RELAP5. In addition, CFD simulations have been performed in order to investigate the DRHS helical coil primary heat exchanger performance with different coil pipe arrangements, and optimize its design. The performance of the proposed DHRS concept is investigated in case of a Station Black-Out (SBO) scenario. Operation of two, three and four DHRS trains is studied respectively. The findings show that three out of four DHRS trains are sufficient to indefinitely remove the core decay heat successfully during a SBO, and keep the reactor in a safe state without the need of any other auxiliary active system.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2018

Ultrafine Pd ensembles anchored-Au 2 Cu aerogels boost ethanol electrooxidation

Modification of the noble metal-based aerogels from the atomic scale is rarely being investigated despite the rapid development of various metallic aerogels. Recent studies have verified that Pd ensembles are more effective than isolated Pd atoms toward electrooxidation of ethanol. However, the electrocatalytic efficiency is still insufficient. Here, for the first time, we successfully anchored Pd-ensembles on the surface of Au 2 Cu metallic hydrogels via kinetically controlled galvanic displacement reaction. The atomic configuration optimized Au 2 Cu@Pd metallic aerogels exhibited significantly enhanced mass activity ~11.6 times of commercial Pd and excellent stability with remained 90 % of mass activity after 300 potential cycle test. The ligand effect and geometric effect generated by the finely tailored atomic configurations including Pd ensembles and core-shell structure are critical for enhancing electrocatalytic efficiencies. Furthermore, the Pd ensembles anchored-Au 2 Cu aerogels hold a great promise for being potentially applied in devices such as direct alcohol fuel cells, biosensors and electronics.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

Ultrafast X-ray Spectroscopy of Intersystem Crossing in Hexafluoroacetylacetone: Chromophore Photophysics and Spectral Changes in the Face of Electron-Withdrawing Groups

Intersystem crossings between singlet and triplet states represent a crucial relaxation pathway in photochemical processes. Herein, we probe the intersystem crossing in hexafluoro-acetylacetone with ultrafast X-ray transient absorption spectroscopy at the carbon K-edge. In this study, we observe the excited state dynamics following excitation with 266 nm UV light to the 1 ππ* (S 2 ) state with element and site-specificity using a broadband soft X-ray pulse produced by high harmonic generation. These results are compared to X-ray spectra computed from orbital optimized density functional theory methods. It is found that the electron-withdrawing fluorine atoms decongest the X-ray absorption spectrum by enhancing separation between features originating from different carbon atoms. This facilitates the elucidation of structural and electronic dynamics at the chromophore. The evolution of the core-to-valence resonances at the carbon K-edge reveals an ultrafast population transfer between the 1 nπ* (S 1 ) and 3 ππ* (T 1 ) states on a 1.6 ± 0.4 ps time scale, which is similar to the 1.5 ps time scale earlier observed for acetylacetone [ J. Am. Chem. Soc. 2017, 139, 16576—16583, DOI: 10.1021/jacs.7b07532]. It therefore appears that terminal fluorination has little influence on the intersystem crossing rate of the acetylacetone chromophore. In addition, the significant role of hydrogen-bond opened and twisted rotational isomers is elucidated in the excited state dynamics by comparison of the experimental transient X-ray spectra with theory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Low-Frequency Oscillations in Optical Measurements of Metal-Nanoparticle Vibrations

Time-resolved optical measurements of vibrating metal nanoparticles have been used extensively to probe the ultrafast mechanical properties of the nanoparticles and of the surrounding liquid, but nearly all investigations so far have been limited to the linear regime. Herein, we report the observation of a low-frequency oscillating signal in transient-absorption measurements of nanoparticles with octahedral gold cores and cubic silver shells; the signal appears at the difference of two mechanical vibrational frequencies in the particles, suggesting a nonlinear mixing process. We tentatively attribute this proposed mixing to a nonlinear coupling between a vibrational mode of the nanoparticle and its optical-frequency plasmon resonance. The optimization of this nonlinear transduction may enable high-efficiency opto-mechanical frequency mixing in the GHz-THz frequency regime.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Towards High-Performance AI4NP Applications on Modern GPU Platforms

The evolution of modern heterogeneous accelerators, such as GPUs, has significantly advanced the landscape of artificial intelligence (AI). There is a notable surge to adopt AI within the nuclear physics domain (AI4NP). While most AI4NP studies focus on feasibility analysis, our attention is directed towards evaluating their performance on contemporary GPUs that integrate tensor cores. We first benchmark the throughput of hyperparameterized multi-layer perceptron (MLP) models. We then examine the performance of an AI4NP application: Hydra. We assess the performance gain and accuracy loss caused by the tensor cores for low-precision floating-point operations. Our experiments encompass the PyTorch and TensorFlow Keras frameworks on NVIDIA’s T4 and A100 GPUs. We explore the behavior of different GPU hardware platforms and AI software tools. This study can be a valuable resource for guiding the performance optimization of larger-scale deployments of AI4NP applications.

Mei, Xinxin↗
DOE OSTI2023

Performance Evaluation of Gray-box and Machine Learning Models of a Thermal Energy Storage System with Active Insulation

An interior partition wall integrated with active thermal storage and a dynamic insulation system was built and then installed in an office building in Oak Ridge, Tennessee, TN. This smart wall, termed the Empower Wall, was equipped with embedded pipes in the building envelope core component and an additional pipe network enclosing rigid insulation to switch on and off the active insulation dynamically. The performance of the wall's contribution to cooling load reduction under different parameters has been investigated in previous publications. Aiming to be deployed into model predictive control and other optimization methods, simplified and reliable models for the developed wall and the room accommodating it are required. They are needed to characterize the properties and thermal response of both Empower Wall and building envelope, which form an essential component for accurate indoor temperature or cooling/heating demand prediction. In this study, simplified gray-box and regression models as well as machine learning model were developed and the performance of them were compared and analyzed.

Cui, Borui↗
DOE OSTI2017

Development of High-Performance Cast Crankshafts. Final Technical Report

The objective of this project was to develop technologies that would enable the production of cast crankshafts that can replace high performance forged steel crankshafts. To achieve this, the Ultimate Tensile Strength (UTS) of the new material needs to be 850 MPa with a desired minimum Yield Strength (YS; 0.2% offset) of 615 MPa and at least 10% elongation. Perhaps more challenging, the cast material needs to be able to achieve sufficient local fatigue properties to satisfy the durability requirements in today’s high performance gasoline and diesel engine applications. The project team focused on the development of cast steel alloys for application in crankshafts to take advantage of the higher stiffness over other potential material choices. The material and process developed should be able to produce high-performance crankshafts at no more than 110% of the cost of current production cast units, perhaps the most difficult objective to achieve. To minimize costs, the primary alloy design strategy was to design compositions that can achieve the required properties with minimal alloying and post-casting heat treatments. An Integrated Computational Materials Engineering (ICME) based approach was utilized, rather than relying only on traditional trial-and-error methods, which has been proven to accelerate alloy development time. Prototype melt chemistries designed using ICME were cast as test specimens and characterized iteratively to develop an alloy design within a stage-gate process. Standard characterization and material testing was done to validate the alloy performance against design targets and provide feedback to material design and manufacturing process models. Finally, the project called for Caterpillar and General Motors (GM) to develop optimized crankshaft designs using the final material and manufacturing processing path developed. A multi-disciplinary effort was to integrate finite element analyses by engine designers and geometry-specific casting simulations with existing materials models to optimize crankshaft cost and performance. Prototype crankshafts of the final design were to be produced and validated using laboratory bench testing and on-engine durability testing. ICME process simulation tools were used to investigate a broad range of processing concepts. These concepts included casting orientation, various mold and core materials, and various filling and feeding strategies. Each crankshaft was first simulated without gating and risers, which is termed natural solidification. The natural solidification results were used as a baseline for strategy development of each concept. Casting process simulations and ICME tools were proven to be reasonable predictors of real world results. Potential alloys were developed that could meet the project material property goals with appropriate normalization and temper treatments. For the alloys considered, post-normalization temper treatments proved to be necessary to achieve the desired yield strengths and elongations and appropriate heat treatments were designed using ICME tools. The experimental data of all the alloys were analyzed in combination with ICME tools to establish chemistry-process-structure relations. Several GM small gas engine (SGE) crankshafts were successfully cast in sand molds using two different sprue, runner, gate, riser, chill designs. These crankshafts were cast in two different steel alloys developed during the project, but casting finishing (e.g. riser removal) remains a cost challenge. A long list of future work was left unfinished when this project was unexpectedly terminated.

36 MATERIALS SCIENCE↗
DOE OSTI2026

FY25 Electric Grid Security Annual Report

Sandia’s Electric Grid Security program advances a national vision of energy dominance and accessibility, while applying our national security -emphasis on ensuring of a secure, resilient, and affordable electric system for all users. Our achievements reflect a strategic approach combining technology development; modeling, simulation, and data analytics; and partnered demonstrations and outreach to further the adoption of advanced grid and storage technologies. Our FY25 efforts leverage the strengths of our partnerships—spanning Sandia’s core science and technology competencies as well as external technology leaders—to develop the solutions today which enable the grid of tomorrow. Key accomplishments in this report that support our strategy span our technical program areas and include: • New open-source analytical tools for systems -level planning and optimization, including significant advances to the QuESt analytical environment; • Further advancement of artificial intelligence and machine learning to enhanced grid operations and planning as we rise to the challenge of new large loads; • Development of solid-state power conversion technologies and a new medium-voltage research lab; • New technologies to assess wildfire vulnerabilities and mitigate potential impacts; • Advanced applications of new cybersecurity technologies with industry partners; • Contributions to understanding the impacts of electromagnetic pulses and geomagnetic disturbances on grid components; and • Digital twin development for hybrid microgrids with multiple generators, storage, and loads. This report indicates key areas of research and engagement and summarizes the impact of Sandia’s contributions through notable accomplishments, journal publications, patents, and technical conferences and presentations. It is provided with the hope that readers discover ways we can further team to create our modern grid and apply the outcomes of our efforts. The bulk of work described herein is funded by several offices within the U.S. Department of Energy (USDOE), including the Office of Electricity (OE); Cybersecurity, Energy Security, and Emergency Response (CESER); former offices such as the Office of Energy Efficiency and Renewable Energy (EERE), the Grid Deployment Office (GDO), the Office of Clean Energy Demonstrations (OCED), and other key programs at USDOE. As we continue to state in these annual reports, the contributors to our successes are too numerous to name here, though our team wishes to express our deep gratitude to the numerous program and project sponsors at the US Department of Energy, who often function equally as technical collaborators; our many partners in industry, academia, utilities, and other national labs; and fellow researchers and business partners at Sandia whose leadership and creativity have enabled the accomplishments described herein.

24 POWER TRANSMISSION AND DISTRIBUTION↗