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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Characterizing the negative triangularity reactor core operating space with integrated modeling

Negative triangularity (NT) has received renewed interest as a fusion reactor regime due to its beneficial power-handling properties, including low scrape-off layer power and a larger divertor wetted area that facilitates simple divertor integration. NT experiments have also demonstrated core performance on par with positive triangularity (PT) high confinement mode (H-mode) without edge-localized modes (ELMs), encouraging further study of an NT reactor core. In this work, we use integrated modeling to scope the operating space around two NT reactor strategies. The first is the high-field, compact fusion pilot plant concept Modular, Adjustable, NT ARC (MANTA) and the second is a low field, high aspect ratio concept based on work by Medvedev et al. By integrating equilibrium, core transport, and edge ballooning instability models, we establish a range of operating points with less than 50 MW scrape-off layer power and fusion power comparable to PT H-mode reactor concepts. Heating and seeded impurities are leveraged to accomplish the same fusion performance and scrape-off layer exhaust power for various pressure edge boundary conditions. Scans over these pressure edge conditions accommodate any current uncertainty of the properties of the NT edge and show that the performance of an NT reactor will be extremely dependent on the edge pressure. The high-field case is found to enable lower scrape-off layer power because it is capable of reaching high fusion powers at a relatively compact size, which allows increased separatrix density without exceeding the Greenwald density limit. Adjustments in NT shaping exhibit small changes in fusion power, with an increase in fusion power density seen at weaker NT. Infinite-n ballooning instability models indicate that an NT reactor core can reach fusion powers comparable to leading PT H-mode reactor concepts while remaining ballooning-stable. Seeded krypton is leveraged to further lower scrape-off layer power since NT does not have a requirement to remain in H-mode while still maintaining high confinement. We contextualize the NT reactor operating space by comparing to popular PT H-mode reactor concepts, and find that NT exhibits competitive ELM-free performance with these concepts for a variety of edge conditions while maintaining relatively low scrape-off layer power.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

WEST L-mode record long pulses guided by predictions using Integrated Modeling

A new record was set on the WEST Tokamak, designed to operate long duration plasmas in a tungsten (W) environment, with an injected energy of 1.15 GJ and a plasma duration 364s. Scenario development was supported by integrated modeling using the High Fidelity Plasma Simulator (HFPS), the European IMAS-coupled version of JETTO/JINTRAC, which integrates physics-driven modules into a unified framework. In particular, a reduced model for Lower-Hybrid heating and Current-Drive (LHCD) and the quasi-linear turbulent transport model TGLF are crucial for long pulses predictions up to the Last Closed Flux Surface (LCFS). Using this workflow, a 100 s reference discharge was modeled and plasma kinetic profiles and loop voltage were quantitatively well matched. In preparation for the recent long duration experiments, non-inductive current-drive actuators (I P , n e , P LHCD ) were varied to determine the operational domain going towards fully non-inductive discharges. In particular, decreasing the plasma current is shown to ease the access to such conditions, with a careful monitoring of (n e , P LHCD ) to avoid machine limitations. In addition, post-prediction experiments conducted within the investigated parameter range validated the predicted dependencies and were shown to be in quantitative agreement. Exploratory work on the use of ECCD for MHD stability purpose is also introduced.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Towards self-consistent integrated modeling of the tokamak pedestal, scrape-off layer, and divertor using SOLPS-ITER and EPED

A predictive, self-consistent integrated model of the tokamak edge plasma and neutral system has been developed and validated against experimental data from DIII-D, spanning from the divertor target and scrape-off layer to the top of the pedestal. The model uses the SOLPS-ITER fluid boundary plasma and neutral code to constrain the EPED prediction of the pedestal height and width by taking the separatrix temperature and density calculated from SOLPS as inputs to EPED. An empirical proxy function based on data from a subset of these discharges is then used to infer the ratio of density at the pedestal top to that at the separatrix based on the electron temperature at the divertor target. This allows the density at the top of the pedestal to be provided to EPED as well, so that knowledge of this quantity is no longer required a priori, while SOLPS radial transport coefficients are needed instead. The gas puff rate provided to SOLPS is then a primary model input for this forward model coupling (along with radial transport coefficients, which are kept fixed through each scan in this study). Comparisons with measurements from DIII-D density scans through a range of target conditions find significant pedestal pressure degradation as the density is increased towards detachment in three different divertor configurations, consistent with the experimental data in these ballooning-limited pedestal regimes.

core-edge integration↗
DOE OSTI2026

An Integrated Modeling Framework for Sediment Dynamics During Urban Flooding: Application to Hurricane Harvey in Houston

Floodwater can mobilize and redistribute large volumes of sediment from upland to downstream urban areas, threatening infrastructure, water quality, and ecosystem health. However, existing modeling approaches often fail to capture sediment dynamics in urban floodplains due to the lack of integration between upland hydrological processes and riverine sediment transport. This study presents the first integrated modeling framework that couples the Energy Exascale Earth System Model (E3SM) land component, which simulates runoff and hillslope erosion, with TELEMAC-GAIA, a two-dimensional hydrodynamic and sediment transport model. This framework enables the fully distributed, process-based simulation of high-resolution (as fine as 30 m) sediment dynamics from hillslopes to floodplains. Applied to a highly urbanized watershed in Houston during Hurricane Harvey, this framework reproduced observed water levels at 16 USGS gauges (median R 2 = 0.83 and KGE = 0.78), key sediment dynamics such as sediment transport and deposition processes, and reproduced spatial deposition patterns consistent with LiDAR-derived data. Based on the simulation, we estimate 8.0 million m 3 of event-scale sediment deposition, including 5.7 million m 3 trapped in the flood-control reservoirs and 2.3 million m 3 deposited along major channels and floodplains. Using a representative unit removal cost, this corresponds to an estimated dredging cost of $581 million for total deposition. These results provide a first-order, physically based quantification of Harvey-scale sediment impacts. This study provides a valuable tool for the holistic analysis of sediment dynamics triggered by extreme urban flooding, supporting flood-resilience planning. More broadly, it highlights the importance of integrating physically based hydrological processes for urban flooding and sediment research.

Hurricane Harvey↗
DOE OSTI2025

TRANSP integrated modeling code for interpretive and predictive analysis of tokamak plasmas

This paper provides a comprehensive review of the TRANSP code, a sophisticated tool for interpretive and predictive analysis of tokamak plasmas, detailing its major capabilities and features. It describes the equations for particle, power, and momentum balance analysis, as well as the poloidal field diffusion equations. The paper outlines the spatial and time grids used in TRANSP and details the equilibrium assumptions and solvers. Various models for heating and current drive and radiation, including updates to the NUBEAM model, are discussed. The handling of large-scale events such as sawtooth crashes and pellet injections is examined, along with the predictive capabilities for advancing plasma profiles. The integration of TRANSP with the ITER Integrated Modeling and Analysis Suite (IMAS) is highlighted, demonstrating enhanced data access and analysis capabilities. Additionally, the paper discusses best practices and continuous integration techniques to enhance TRANSP's robustness. The suite of TRANSP tools, designed for efficient data analysis and simulation, further supports the optimization of tokamak operations and coupling with other tokamak codes. Continuous development and support ensure that TRANSP remains a major code for the analysis of experimental data for controlled thermonuclear fusion, maintaining its critical role in supporting the optimization of tokamak operations and advancing fusion research.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Data and figures for "Integrated modeling of boron powder injection for real-time plasma-facing component conditioning"

This dataset contains raw and processed data, as well as supplementary figures used in the paper titled "Integrated modeling of boron powder injection for real-time plasma-facing component conditioning." The data includes simulation results for boron transport and deposition in DIII-D tokamak scenarios, and processed plots. It provides insights into the effects of boron powder injection on plasma-facing component conditioning and surface composition.

ablative particle injection↗
DOE OSTI2024

Integrated modeling framework (FVCOM-ICM/Toxi) to simulate the fate and transport of polychlorinated biphenyls in urban estuaries–Case study for Puget Sound, WA

Puget Sound is an urban estuary that exhibits persistent polychlorinated biphenyls (PCBs) contamination despite years of remediation efforts. For robust management actions, determining the timing, location, and magnitude of PCB loading sources and transport pathways using field data alone is challenging due to complex water circulation and biogeochemical processes. Here, this study aims to develop an integrated modeling framework that couples complex estuarian circulation with biogeochemical processes and associated interactions with PCB kinetics. The model simulates PCB accumulation in the lower tropic food web, demonstrating PCB intrusion into primary producers and its biomagnification in pelagic consumers. The PCB data from a new field survey was used to calibrate/validate the new PCB modeling framework for Puget Sound. The software program of the modeling framework is available to the user community for the applications of toxic contaminants transport in marine waters.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Integrated Modeling Driven Evaluation of Opportunities for Climate‐Resilient Perennial Biomass Crop Plantings in Flood‐Prone Agricultural Landscapes

Adapting to future climate change in flood-prone landscapes will require climate-resilient agricultural systems. Planting perennial crops, like switchgrass and willow, along river corridors can mitigate future flooding while supporting bioenergy markets. We developed an integrated assessment linking climate, hydrologic, and inundation model results to assess future flood risk to river-adjacent agricultural lands in the Mid-Atlantic Region (MAR) and explore this opportunity. We produced ensemble streamflow projections for every MAR stream using a hydrologic model driven by a suite of downscaled and bias-corrected Coupled Model Intercomparison Project Phase 6 climate projections. We then conducted high-resolution inundation mapping based on projected flood frequencies for baseline and future periods. Results show that in the near-term future, at least two-thirds of the streams will experience 100-year floods more severe than the baseline 200-year floods. Riparian zones are projected to face a median rise of inundation by 9.5%–24.1%. Results show that there is an opportunity to mitigate flooding in over half of MAR's counties with the quantities of switchgrass and willow plantings anticipated for mature bioenergy markets, even under the most extreme (200-year) flood events. Our integrated modeling framework can guide similar regions to evaluate opportunities for flood-resilient agricultural systems under climate change.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

An Open-Source Framework for Characterizing Urban Energy Models: Integrating Top-Down and Bottom-Up Methods to Predict Residential Buildings Characteristics: Preprint

Bottom-up urban energy models are crucial for understanding current energy use patterns and informing design strategies. However, accurately characterizing these models to represent different communities remains a challenge due to the extensive data needed for simulating existing energy use behavior. This data includes information related to human activities and building characteristics, all of which correlate with socioeconomic factors. To overcome this challenge, we developed an automated framework that utilizes both top-down and bottom-up data, to predict unknown building and occupant characteristics that are needed for more accurate and equitable modeling and analytics. Our framework, integrated into the URBANopt district energy modeling platform, uses statistical data models from ResStock. URBANopt models co-located buildings and neighborhoods. At this scale there are data gaps in building characteristic data, such as materials, insulation, occupancy, income, and energy usage of the buildings. To address this data gap, we use ResStock data, representative at the census tract scale, and develop machine-learning and deeplearning techniques to disaggregate it to individual buildings. By mapping unique occupant, building and economic properties to URBANopt energy models, we gain detailed insights into the variability of building energy use across different neighborhoods. This insight helps deploy technologies for co-located buildings and supports targeted upgrades for communities with unique economic and demographic characteristics, ensuring energy equity. Accurate characterization of energy models allows us to develop equitable strategies tailored to diverse neighborhoods, whether underserved or affluent. Our automated framework streamlines energy modeling and provides a reliable tool for building energy characterization.

ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATION↗
DOE OSTI2026

Integrative Modeling and Analysis of Fungal Central Carbon Metabolism

Over a thousand fungal genomes have been sequenced, yet manually curated genome-scale metabolic models (GEMs) are available for only a limited number of species. Moreover, these models have often been developed independently, leading to inconsistencies in namespaces, compartment definitions, and pathway representations that hinder comparative analysis, the systematic reuse of prior curation efforts, and the integration of consolidated metabolic knowledge. Here, we present the Consolidated Fungal Core Metabolism Model (CFCMM), constructed by integrating thirteen published fungal models spanning Ascomycota, Mucoromycota, and both Crabtree-positive and Crabtree-negative yeasts. We harmonized metabolites and reactions into a non-redundant shared ModelSEED ontological space, standardized compartmentalization, and refined gene–protein–reaction (GPR) rules. Using pathway-level visualization and systematic gap detection, we further improved the integrated network through literature-guided curation to correct stoichiometry, stereospecificity, and pathway architecture. Orthologous protein family reconstruction and functional annotation workflows were used to validate and inform GPR associations, with particular emphasis on ambiguous enzyme superfamilies and membrane-associated components. Using the resulting CFCMM, we built high-quality central carbon core models for each fungus and performed flux balance analysis to quantify ATP-yield variation under aerobic and anaerobic conditions, explicitly evaluating scenarios driven by differences in electron transport chain (ETC) composition. Simulations reproduced the expected fermentative yield of approximately 2 mmol ATP per mmol glucose under anaerobic conditions and separated the thirteen fungi into two bioenergetic groups under aerobic respiration based on Complex I status, with predicted yields of approximately 30 versus 22 mmol ATP per mmol glucose. Forcing flux through the alternative oxidase bypass further reduced ATP yields to approximately 12 and 4 mmol ATP per mmol glucose in Complex I-containing and Complex I-lacking fungi, respectively. Collectively, this work provides a manually curated, ModelSEED-consistent, and extensible fungal core metabolic template, deployed in DOE KBase as a resource for automated reconstruction of central carbon core models from any sequenced fungal genome. In addition, the CFCMM provides modular components for developing GEMs with more accurate energy predictions and enables robust comparative analyses of fungal bioenergetics and core metabolic diversity

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Examining transport and integrated modeling predictive capabilities for negative-triangularity scenarios

This paper investigates the predictive capabilities of TGYRO and TGLF models in assessing the performance of negative triangularity (NT) plasmas compared to positive triangularity (PT) plasmas in fusion devices. TGYRO predicts kinetic profiles, while TGLF analyzes turbulent transport. The study reveals that TGYRO reasonably predicts NT profiles similar to PT, although it overpredicts the high-power scenarios where there is increased experimental MHD activity. TGLF analysis finds reduced linear growth rates in NT and altered flux spectra relative to PT. Additionally, the TGLF SAT0 saturation model is observed to predict high-k transport and a reduction of particle transport with the electron temperature gradient. These findings are further corroborated by core-pedestal modeling using the Stability Transport Equilibrium Pedestal workflow, showing stronger confinement improvements in NT, particularly at higher power densities for the SAT0 saturation model. Furthermore, the study underscores the importance of accurately capturing turbulence saturation mechanisms for NT in order to project its performance accurately in fusion reactors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Native Top-Down Mass Spectrometry Characterization of Model Integral Membrane Protein Bacteriorhodopsin

Bacteriorhodopsin (bR) from Halobacterium salinarum has been a model system for structural biology and is a structural template for the characterization of membrane G-protein couple receptors (GPCRs) in particular. Here, in this study, wild-type bacteriorhodopsin and two single-residue mutants were characterized by native top-down mass spectrometry (nTD-MS) with Orbitrap-based high-energy collision dissociation (HCD) and electron capture dissociation (ECD). After in-source dissociation ejected the membrane protein from detergent micelles, high-resolution native MS measurement allowed for identification of multiple proteoforms as well as lipid-bound forms. Further top-down MS measurements by HCD produced a large number of product ions for in-depth sequencing and unambiguous localization of post-translational modifications. For the first time, native TD-MS with ECD was used to characterize an integral membrane protein. ECD yielded fragments originating from all helices and loop regions, even accessing a sequence stretch that HCD could not. Combining HCD and ECD fragmentation patterns significantly enhanced the sequence coverage of bR. We propose bR to be a model analyte for testing nTD-MS performance for membrane proteins.

crystal cleavage↗
DOE OSTI2025

Integrated modeling of alpha particle losses in JET DT plasmas

Alpha particle confinement is crucial for sustaining burning plasmas and designing future reactor concepts. Along with classical/prompt losses, various magnetohydrodynamic instabilities can lead to wave-particle interactions which can transport alpha particles outward from the plasma. This can result in a reduction in plasma heating/performance, and, at worst, damage in-vessel components. Joint European Torus’s recent deuterium–tritium campaigns in 2021–2023 have produced numerous alpha particle loss measurements with its scintillator probe and Faraday cup array fast ion loss detectors as discussed in Bonofiglo et al (2024 Nucl. Fusion 64 096038). This paper will report on integrated energetic particle transport modeling in support of those measurements. The modeling is accomplished with the TRANSP and ORBIT-kick codes with the use of recently developed reduced models which calculate mode structure, amplitude, and the evolving dynamics. When possible, constraints and comparisons to experiment are conducted. Case studies are performed on a variety of magnetohydrodynamic activity, including: fishbones, tearing modes (TMs), and sawtooth crashes. Additionally, a special case of an alpha-driven toroidal Alfvén eigenmode is briefly discussed, where modeling showed marginally weak alpha losses and was unable to support experimental observations. Coupled effects between a TM and toroidal field ripple are presented and were unable to replicate the observations in lost particle pitch but did duplicate the localized flattening of the measured neutron profile. Additional modeling results compare the magnitude of losses and energy/velocity-space sensitivities against experimental observations/measurements for each scenario. This work corroborates numeric alpha transport modeling while also identifying model deficiencies. While this report details alpha transport, it also presents open issues for discussion in assessing the validity of our numerical models towards burning plasmas.

Bonofiglo, Phillip J. [Princeton Plasma Physics La↗
DOE OSTI2025

Surrogate Model Integration with MOOSE XFEM for Creep Crack Growth

Ferritic-martensitic steels are key structural materials for advanced reactors but experience time-dependent deformation and damage under prolonged high temperature and irradiation, leading to creep-driven crack initiation and growth. High-fidelity models—crystal plasticity with irradiation mechanisms, phase-field for microstructural evolution, and continuum-damage viscoplasticity—capture the underlying physics but are too computationally intensive for broad design-space exploration and uncertainty quantification. This milestone advances a scalable alternative by integrating a microstructure-sensitive surrogate creep model into the Multiphysics Object-Oriented Simulation Environment (MOOSE) finite element framework and extending it to fracture via the extended finite element method (XFEM). The surrogate model, developed with collaborators at Sandia and Los Alamos National Laboratories, maps relevant microstructural descriptors to the viscoplastic response of HT9. We embed this surrogate within a coupled deformation-damage workflow in MOOSE/XFEM to simulate creep-driven crack initiation and propagation. Implementation enhancements include updates to the material interface, a plastic correction phase involving microstructure evolution, and fracture criteria to ensure numerical robustness and compatibility with the surrogate structure. Demonstrations on canonical creep benchmarks spanning uniaxial and multiaxial states show that the surrogate reproduces key trends of high-fidelity models while substantially reducing computational cost. The resulting capability bridges physics fidelity and performance, providing a practical path to a predictive, microstructure-aware assessment of creep and fracture in reactor materials.

36 - MATERIALS SCIENCE↗
DOE OSTI2025

Integrated modeling of RF-induced tungsten erosion at ICRH antenna structures in the WEST tokamak *

This paper introduces STRIPE (Simulated Transport of RF Impurity Production and Emission), an advanced modeling framework developed to analyze material erosion and the global transport of eroded impurities originating from radio-frequency (RF) antenna structures in magnetic confinement fusion devices. STRIPE integrates multiple physics modules: SolEdge3x for scrape-off-layer plasma profiles, COMSOL for 3D RF rectified sheath potentials, RustBCA for erosion yields and surface interactions, and global impurity transport for 3D ion energy-angle distributions and impurity transport. The framework is applied to an ion cyclotron RF-heated L-mode discharge (#57877) in the WEST tokamak, where it predicts a thirty-fold increase in gross tungsten erosion at antenna limiters during the transition from ohmic to ICRH operation. Additionally, under ICRH conditions, a tenfold enhancement in erosion is observed when comparing RF sheath effects to purely thermal sheath conditions. High-charge-state oxygen ions ($\mathrm{O}$ 6+ and above) are identified as the dominant contributors to tungsten sputtering. To validate the model, a synthetic diagnostic tool based on inverse photon efficiency (S/XB coefficients) from the ColRadPy collisional-radiative model enables direct comparison with spectroscopic measurements. Model predictions using a plasma composition of 1% oxygen and 99% deuterium show good agreement with observed W − I (400.9 nm) emission for discharge #57877, supporting the accuracy of the STRIPE framework. This study focuses specifically on gross erosion calculations to demonstrate STRIPE’s capabilities. Future extensions of this work will incorporate net erosion, re-deposition, self-sputtering effects, and whole-device modeling of sputtered tungsten impurity transport. STRIPE is also being applied to other RF-heated linear and toroidal devices, offering valuable insights for antenna design, impurity control, and performance optimization in next-generation fusion reactors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

LAROMance Grade 91 Model Integration in NEML2

New reactor designs are targeting higher operating temperatures for increased thermal efficiency when compared to the current fleet of light water reactors. Designing structural components for these high temperature environments with reliable long-term operations requires material models that can accurately capture the deformation mechanisms active in these environments. The LAROMance surrogate material models are based on a database of mechanistic crystal plasticity simulations for high-temperature conditions. Inputs to the LAROMance models reflect the microstructural pedigree of the material, like dislocation densities and precipitate contents. Based on the evolution of these microstructural features, the LAROMance model provides the engineering scale constitutive model response. The LAROMance model was recently parameterized for Grade 91, a high temperature alloy. In the present work, the Grade 91 LAROMance model is implemented in the New Material Model Library, version 2 (NEML2). NEML2 provides a modular way to build material models from smaller blocks and was developed to vectorize the material update to efficiently run on modern computational architectures with graphics processing unit accelerators. NEML2 constitutive models can be used in simulations based on the multiphysics object-oriented simulation environment (MOOSE). This report provides details on the implementation of the Grade 91 LAROMance model in NEML2 and its verification of engineering scale finite element simulations in MOOSE.

42 - ENGINEERING↗
DOE OSTI2024

GDSA Framework Development and Process Model Integration FY2024

The Disposal Research & Development (Disposal R&D) Campaign of the U.S. Department of Energy (DOE) Office of Nuclear Energy (NE), Office of Spent Fuel & High-Level Waste Disposition is conducting research and development (R&D) on geologic disposal of spent nuclear fuel (SNF) and high-level nuclear waste (HLW). A high priority for Disposal R&D is disposal system modeling (Sassani et al. 2023). The Geologic Disposal Safety Assessment (GDSA) work package is charged with developing a disposal system modeling and analysis capability for evaluating generic disposal system performance for nuclear waste in geologic media.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗