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DOE OSTI2025

An Open-source Llm Enhanced-tool Specialized In Helping Moose Related Problems And Tasks

MOOSEenger is an open-source, terminal-first chat application for the MOOSE ecosystem that couples specialized parsing of MOOSE documentation and “.i” input files with retrieval-augmented generation to deliver grounded answers about multiphysics modeling and workflows. It includes dedicated readers for MOOSE-style HTML and a pyhit-based parser that uses the MOOSE syntax tree to preserve block structure and attach retrieval metadata. A data-ingestion pipeline performs semantic chunking into atomic facts and stores them hierarchically in a local Chroma vector database that maintains parent–child relationships across documents; the system can ingest directories, individual files, and single-page web content, and it provides CRUD operations (insert, update, delete) to manage the corpus. At query time, relevant chunks are embedded, retrieved, and fused into the model context, with interactive features such as token streaming, persistent chat history, and dynamic RAG (retrieval triggered by user input or intermediate model output). Deployment is flexible: MOOSEenger runs with local Ollama models or remote Hugging Face/OpenAI backends—typically coordinating generation, lightweight tagging/summarization, and embeddings across three models—and it also supports a server mode and integration with the VS Code Continue interface.

Li, Mengnan [Idaho National Laboratory (INL), Idah↗

DOE OSTI2025

Effects of feruloyl-CoA 6'-hydroxylase 1 overexpression on lignin and cell wall characteristics in transgenic hybrid aspen

In plant cell walls, lignin, cellulose, and the hemicelluloses form intricate three-dimensional structures. Owing to its complexity, lignin often acts as a bottleneck for the efficient utilization of polysaccharide components as biochemicals and functional materials. A promising approach to mitigate and/or overcome lignin recalcitrance is the qualitative and quantitative modification of lignin by genetic engineering. Feruloyl-CoA 6'-hydroxylase (F6'H1) is a 2-oxoglutarate-dependent dioxygenase that catalyzes the conversion of feruloyl-CoA, one of the intermediates of the lignin biosynthetic pathway, into 6'-hydroxyferuloyl-CoA, the precursor of scopoletin (7-hydroxy-6-methoxycoumarin). In a previous study with Arabidopsis thaliana, we demonstrated that overexpression of F6'H1 under a xylem-preferential promoter led to scopoletin incorporation into the cell wall. This altered the chemical structure of lignin without affecting lignin content or saccharification efficiency. In the present study, the same F6'H1 construct was introduced into hybrid aspen (Populus tremula × tremuloides T89), a model woody plant, and its effects on plant morphology, lignin chemical structure, global gene expression, and phenolic metabolism were examined. The transgenic plants successfully overproduced scopoletin while exhibiting severe growth retardation, a phenotype not previously observed in Arabidopsis. Scopoletin accumulation was most pronounced in the secondary walls of tracheary elements and the compound middle lamella, with low levels in the fiber cell walls. Overexpression of F6'H1 also affected the metabolism of aromatics, including lignin precursors. Heteronuclear single-quantum coherence (HSQC) NMR spectroscopy revealed that scopoletin in cell walls was bound to lignin, leading to a reduction in lignin content and changes in its monomeric composition and molar mass distribution. Furthermore, the enzymatic saccharification efficiency of the transgenic cell walls was more than three times higher than that of the wild-type plants, even without pretreatment. Although addressing growth inhibition remains a priority, incorporating scopoletin into lignin demonstrates significant potential for improving woody biomass utilization.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Paper or Plastic? Multiscale Material Handling Properties of Two Model Municipal Solid Waste Streams

Purpose: Municipal Solid Waste (MSW) is a potentially valuable sustainable feedstock for fuel and chemical production due to its carbon-rich content and low cost. This study aims to assess the material handling properties of paperand plastic-rich MSW feedstocks to mitigate equipment failure and processing downtime. Methods: The material handling properties of crumbled MSW feedstocks were measured using apowder rheometer with mass flow hopper calculations to assess handling performance. Inverse gas chromatography was use to measure the surface energy differences between feedstocks. Electron microscopy and Raman spectroscopy was used to evaluate microscale features that may contribute to material handling differences. Results: Plastic and paper rich feedstocks crumbled to a nominal 2 mm particle size were observed to have similar flow and handling characteristics with reasonable hopper outlets. 2 mm plastic rich crumbles, with their higher bulk density, exhibited superior flow performance. By contrast, 4 mm material required significantly larger hopper outlets, indicating poor flowability. Paper rich and 4 mm plastic rich samples displayed broad particle size distributions, which contributed to particle interlocking, jamming, and other flow issues. Electron microscopy revealed that plastic rich samples were significantly smoother, enhancing their flowability compared to the rougher, paper rich materials. Conclusions: This study establishes critical material handling baselines for processing MSW as a viable feedstock for fuel and chemical production. The findings highlight the importance of optimizing particle size and feedstock composition to improve flowability and handling performance.

09 BIOMASS FUELS↗

DOE OSTI2021

Effects of residue removal and tillage on greenhouse gas emissions in continuous corn systems as simulated with RZWQM2

Agricultural production is a major source of carbon dioxide (CO 2 ) and nitrous oxide (N 2 O) globally. The effects of conservation practices on soil CO 2 and N 2 O emissions remain a high degree of uncertainty. In this study, soil CO 2 and N 2 O emissions under different residue and tillage practices in an irrigated, continuous corn system, were investigated using the Root Zone Water Quality Model (RZWQM2). Combinations of no/high stover removal (NR and HR, respectively) and no-till/conventional tillage (NT and CT, respectively) field experiments were tested over the four crop-years (Apr. 2011–Apr. 2015). The model was calibrated using the NRCT, and validated with other treatments. The simulation results showed that soil volumetric water content (VWC) in the NR treatments (i.e., NRCT and NRNT) was 1.3%–1.9% higher than that in the HR treatments (i.e., HRCT and HRNT) averaged across the four years. A higher amount of CO 2 and N 2 O emissions were simulated in the NRCT across the four years (annual average: 7034 kg C/ha/yr for CO 2 and 3.8 kg N/ha/yr for N 2 O), and lower emissions were in the HRNT (annual average: 6329 kg C/ha/yr and 3.7 kg N/ha/yr for N 2 O). A long-term simulation (2001–2015) suggested that the CO 2 and N 2 O emissions were closely correlated with the stover removal degree (SRD), tillage, VWC, soil temperature (ST), years in management (Y), and fertilizer application. Stover and tillage practices had cumulative effects on CO 2 emissions. The simulated annual CO 2 emissions in 1st year from NRCT, NRNT, and HRCT were 7.8%, 0.0%, and 7.7% higher than that from HRNT, respectively; then the emissions in 15th year were 63.6%, 47.7%, and 29.1% higher, respectively. Meanwhile, there were no cumulative effects on N 2 O emissions. Furthermore, the results also demonstrated that the RZWQM2 is a promising tool for evaluating the long-term effects of CO 2 and N 2 O emissions on different conservation practices.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Modeling and Optimization of a Rotating Packed Bed Contactor with a Tetraamine-Appended Metal−Organic Framework for CO 2 Capture

A potential contactor technology for sorbent-based CO 2 capture is the rotating packed bed that contains separate sections for continuous adsorption and desorption. A heat exchanger can be embedded to remove heat in the adsorption section and add heat in the desorption section. In this work, we develop a two-dimensional (2D) model of a rotating packed bed for use in CO 2 capture applications. Mass and energy balances for the model are developed based on a Ljungström-type air preheater, which accounts for the counter-current axial flow of gas phases in separate sections of the bed and the rotation of a solid sorbent, which cycles between adsorption and desorption sections. The sorbent used for this analysis is the tetraamine-appended metal−organic framework Mg 2 (dobpdc)(3−4− 3), chosen for its stability and affinity for CO 2 at low partial pressures, such as those from a natural gas power plant source. An optimization problem is solved that considers the trade-off between maximizing the productivity of the bed and minimizing energy consumption. Maximum productivity and minimum energy are found to be 8.53 kg/h/m 3 and 3.84 MJ/kg, respectively, when these objectives are optimized independently. It is observed that the flue gas pressure and bed rotational speed are the desired operating variables to vary for model-based design of experiments to reduce uncertainty in parameter estimation, as these two variables yielded the most information content based on the Fisher information matrix.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2020

Nonrenormalization and Operator Mixing via On-Shell Methods

Using on-shell methods, we present a new perturbative nonrenormalization theorem for operator mixing in massless four-dimensional quantum field theories. By examining how unitarity cuts of form factors encode anomalous dimensions, we show that longer operators are often restricted from renormalizing shorter operators at the first order where Feynman diagrams exist. The theorem applies quite generally and depends only on the field content of the operators involved. We apply our theorem to operators of dimension five through seven in the standard model effective field theory, including examples of nontrivial zeros in the anomalous-dimension matrix at one through four loops. The zeros at two and higher loops go beyond those previously explained using helicity selection rules. We also include explicit sample calculations at two loops.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

Adjoint sensitivity analysis and data assimilation for verification of dry storage cask contents

Dry cask storage is a method for interim storage of spent fuel assemblies which contain fissile isotopes of uranium and plutonium. These can present a proliferation concern and consequently there is a need for non-destructive testing methods to verify a dry cask's contents for proliferation protection. We present an application of adjoint sensitivity analysis and data assimilation to a multigroup diffusion model of dry cask storage. Adjoint sensitivity analysis allows the efficient calculation of sensitivities for use in data assimilation to calibrate imprecisely known parameter values and data consistency tests to detect diversion scenarios. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Seedling nitrogen uptake and rhizodeposition between mycorrhizal types

Tree mycorrhizal associations are associated with patterns in N cycling and soil organic matter (SOM) storage, however, we still lack a mechanistic understanding of what tree and fungal traits drive these patterns and how they will respond to global changes in soil N availability. To address this knowledge gap, we investigated how arbuscular mycorrhizal (AM)- and ectomycorrhizal (EcM)-associated seedlings alter rhizodeposition in response to increased inorganic N acquisition. Specifically, we conducted this greenhouse experiment in a sealed labeling chamber with an enriched 13Carbon atmosphere and 15Nitrogen enriched fertilizer over the course of five months from April 2021 - August 2021. To include the variability across tree species, we grew eight species of seedlings belonging to eight families that were either arbuscular (Acer rubrum, Nyssa sylvatica, Thuja occidentalis, and Prunus seritina) or ectomycorrhizal-associated (Quercus rubra, Tilia americana, Pinus strobus, and Betula lenta). We measured rhizodeposition (mg 13C), plant N uptake from fertilizer (mg N), net soil carbon, and the abundance of mycorrhizal fungi (ITS sequencing and qPCR). We also characterized fungal (ITS2) and bacterial (16S) soil communities.The data from this project are ".csv" files that can up downloaded into a folder, and then run in the associated R markdown scripts after changing the source folder location at the top of the script. These data include raw outputs and processed files (using the R markdown files) for seedling growth and biomass, 15N content, soil 13C content, raw reads and processed file versions for fungal and bacterial ASVS, and a final summary file used for modeling. R software is needed to run these data, and the packages needed are listed at the top of the R markdown file.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Adaptive Sampling for In Situ Cloud Probe (Final Report)

Clouds play a leading role in the Earth's global energy and solar radiation balance and hydrological cycle. Improving cloud models requires detailed information on the cloud microphysical properties, such as droplet size distribution and number density, liquid water content and cloud composition (droplets, ice particles), which can only be provided by aerial in situ measurements. However, for many atmospheric measurement instruments, the lack of flexibility in selecting the operational mode during operation can lead to uncertainties in sampling and measurement characteristics under continuously varying atmospheric conditions. This SBIR project is developing an advanced, compact optical imaging technology for in situ characterization of cloud hydrometeors. The development involves a deep modification of the existing Mesa Photonics’ Cloud Droplet Measurement System (CDMS) in order to implement real-time automatic adaptive sampling based on the acquired in situ data and environmental parameters. The new system, CDMS-2, implements two measurement modes: side-scatter imaging for smaller hydrometeors and direct bright-field-illumination imaging for larger hydrometeors in a significantly larger sample volume. The system measures the droplet size distribution (DSD) and number density with an added capability of discriminating between liquid water and ice hydrometeors (based on polarization-resolved side-scatter imaging). The instrument will implement automatic switching or alternating between the regular side-scatter imaging mode and sparse/large hydrometeor mode (based on the acquired data). Other adaptive sampling capabilities include variable sample volume and dynamic range (based on the measured DSD). The preferred deployment platforms are uncrewed aircraft systems (UAS) and tethered balloon/kite systems (TBS). The Phase I project achieved (or exceeded) the goals listed in the Work Plan. A CDMS-2 laboratory prototype implementing the polarization-resolved side-scatter imaging mode and direct bright-field-illumination imaging mode was designed and built. Additional capabilities included the variable illumination pulse energy and sample volume. The smallest detectable droplet diameter was improved to 3–4 μm (from the nominal 10 μm value specified for the original CDMS). Discrimination between water droplets and ice particles was experimentally demonstrated. The Phase I prototype was extensively tested and calibrated in the laboratory and also tested in the Pi Cloud Chamber at Michigan Technological University (MTU). The two intensive experimental campaigns at MTU provided unique opportunities of testing the CDMS-2 laboratory prototype under realistic warm and mixed-phase cloud conditions (stable for long periods of time), testing different sampling modes and intercomparing the CDMS-2 prototype to other co-located cloud characterization instruments. The Phase I project successfully demonstrated the feasibility of the proposed technology and identified the engineering challenges of designing a field deployable prototype instrument in Phase II. The Phase I study provides a solid basis for development, characterization and field-testing of the proposed advanced cloud probe with adaptive sampling in Phase II followed by commercialization of the technology in Phase III.

47 OTHER INSTRUMENTATION↗

DOE OSTI2026

Distribution System Plan Template and Guide for Electric Utilities for Adaptation by States and Utilities [Slides]

LBNL researchers developed a template and companion guide for structuring distribution system plans. The template covers 10 key sections in utility distribution system plans and underlying topics: -Executive Summary -Planning Objectives -Current Distribution System -Planning Approach -Asst Management, Reliability and Resilience -O&M Expenses -Capacity Expansion Planning -Solution Identification -Cost-effectiveness -Implementation For each section in the template, the companion guide provides: a description of the topics covered and their importance; the type of content to include in the plan; an example utility approach; and references to other utility plans that serve as models for the topic.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2022

Recent MOOSE Update Slides for a DOE CI visit

This is an updated slide deck for which much of the content has been previously cleared. This slide deck incorporates recent NRIC Virtual Test Bed work with several updates on modeling and simulation of benchmark advanced reactor problems. Note that none of the models or results contained within these slides is proprietary. Many of these have been openly published on the Virtual Test Bed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

Smart culture medium optimization for recombinant protein production: Experimental, modeling, and AI/ML-driven strategies

Recombinant protein production (RPP) is central to biotechnology, where recombinant proteins are used as either end products or catalysts in the synthesis of chemicals, fuels, and materials. Among the major cost drivers, culture medium plays a pivotal role in determining protein yield and quality. This review presents a comprehensive perspective on the critical stages of “smart” culture medium optimization: planning, screening, modeling, optimization, and validation. In the planning stage, we examine the nutritional and energetic roles of medium components, including carbon, nitrogen, amino acids, salts, and trace metals, and their impacts on culture parameters such as pH, oxidative state, and osmolality. We highlight the variability in trace metal content due to water sources, culture vessels, and raw materials, which can substantially influence RPP. The screening stage covers Design of Experiments (DoE) approaches, assessing their theoretical basis, implementation, and limitations. For modeling, we describe methods that integrate experimental data to develop predictive models for smart medium formulation. Model-based optimization strategies can then be employed to select optimal media compositions for a given application. The validation stage aims to evaluate model predictions and provide feedback for model training and refinement. Finally, we survey mechanistic and artificial intelligence/machine learning (AI/ML)-driven models as integrated, transformational tools for predictive modeling of bioprocess conditions, nutrient availability, cellular metabolism, and protein quality, with the goal of optimizing culture media to enhance protein yields while reducing costs and environmental impact. We conclude by addressing the challenges of translating laboratory-scale medium optimization to industrial-scale settings and exploring future AI/ML-driven approaches that may overcome current bottlenecks and accelerate medium design for RPP. Overall, this review provides a unified framework for advancing smart medium design in RPP.

Artificial Intelligence/Machine Learning (AI/ML)↗

DOE OSTI2025

Dynamic and static corrosion of chromium-alumina refractory in simulated nuclear waste glass

Monofrax® K-3, a chromium–alumina refractory, is widely used in nuclear waste glass melters due to its high durability. However, aggressive vitrification conditions still lead to corrosion that limits melter lifespan. Here, this study investigates two key corrosion modes, subsurface and melt-line corrosion, under static and dynamic conditions, using a custom setup enabling precise control of melt velocity and temperature. Experimental results, interpreted using diffusion-limited dissolution models, show that (i) subsurface corrosion increases by approximately 10% per mm/s increase in melt velocity, while melt-line corrosion remains virtually unaffected, (ii) corrosion rate dependence on temperature is inversely proportional to melt viscosity, and (iii) glass composition affects both corrosion modes similarly, based on Cr 2 O 3 , Al 2 O 3 , and alkali contents. The experimental data also allowed the determination of diffusion coefficients of major dissolving species, which were found to be consistent between the melt-line and subsurface corrosion models, indicating their suitability for future CFD studies.

12 - MGMT OF RADIOACTIVE AND NON-RADIOACTIVE WASTE↗

DOE OSTI2023

Organic carbon enables the biotic engineering of beneficial soil structure in Profundihumic and Haplic Ferralsols

We investigated how organic matter may, directly and indirectly, modify the porosity of Ferralsols, that is, deeply weathered soils of the tropics and subtropics. Although empirical and anecdotal evidence suggests that organic matter accumulation may increase porosity, a mechanistic understanding of the processes underlying this beneficial effect is lacking, especially so for Ferralsols. To achieve our end, we leveraged the fact that the Profundihumic qualifier of Ferralsols (PF) is distinguished from Haplic Ferralsols (HF) by both a much larger average carbon content in the first 1 m of soil depth (19 kg C m -3 in PF vs. 10 kg C m -3 in HF) and a significantly lower bulk density (1.05 ± 0.08 kg L -1 in PF vs. 1.21 ± 0.05 kg L -1 in HF). Through exhaustive modelling of carbon – bulk density relationships, we demonstrate that the lower bulk density of PF cannot be satisfactorily explained by a simple dilution effect. Rather, we found that bulk density correlated with carbon content when combined with carbon: nitrogen ratio (r 2 = 0.51), black carbon content (r 2 = 0.75), and Δ 14 C (r 2 =0.81). Total pore space was greater in PF (61± 3%) than in HF (55 ± 2%), but x-ray computed tomography revealed that pore space inside soil aggregates of 4–5 mm diameter does not vary between the studied Ferralsols. We further observed nearly twice as many roots and burrows in PF compared with HF. We thus infer that the mechanism responsible for the increase in porosity is most likely an enhancement of resource availability (e.g., energy, carbon, and nutrients) for the organisms (earthworms, ants, termites, etc.) that physically displace soil particles and promote soil aggregation. As a result of increased resource availability, soil organisms can create especially the mesoscale structural soil features necessary for unrestricted water flow and rapid gas exchange. In conclusion, this insight paves the way for the development of land management technologies to optimize the physical shape and capacity of the soil bioreactor.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Numerical investigations to identify environmental factors for field-scale reactive transport of pathogens at riverbank filtration sites

While induced bank filtration is a proven method for facilitating sustainable drinking water production, it is at risk from surface water contaminations (e.g., pathogens). Induced bank filtration and pathogen transport in groundwater have been studied extensively. However, long-term studies that consider real-world conditions are missing. These conditions include seasonal changes to environmental conditions and waterworks operations. Therefore, to analyze the effect of seasonal changes on the transport of human pathogenic viruses and their indicators in induced bank filtration, concentrations of adenoviruses and pathogen indicators were monitored over 16 months at an active bank filtration plant at the Rhine River, in Düsseldorf (Germany). Based on this data, a 2D groundwater model was created in PFLOTRAN that simulated flow, heat transport, conservative transport of chloride and the resulting electrical conductivity, reactive transport of oxygen and nitrate, and colloid-based transport of coliforms, somatic coliphages, and adenoviruses. The results show that reduced travel time was the key factor determining periods with a low removal of coliforms and somatic coliphages in the aquifer. Travel time was controlled by river level variations during rainy seasons, and the waterworks extraction rates during dry seasons. Further, for adenovirus transport, travel distance in the subsurface appeared to be the key factor, while travel time had no significant impact. Coliform removal increased when the colmation layer permeability decreased, while coliphage and adenovirus removal was unaffected by the colmation layer permeability. Seasonal changes in temperature and oxygen content did not significantly impact the removal of coliphages and adenoviruses in groundwater. Denitrifying conditions correlated with a lowered coliform removal, but the modelling could not establish a connection between denitrifying conditions and coliform removal. Our study showed that removal of pathogens and pathogen indicators at induced bank filtration plants varies greatly in time and space (e.g., for coliforms from 1 to 4 log-levels at 20m travel distance), and that adenovirus transport differs considerably from transport of coliforms and somatic coliphages.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Biomass Feedstock Flow Modeling at Exascale

Variable biomass feedstock handling in hoppers and screw conveyors can cause upstream failures and disrupt downstream conversion operations. Understanding how particle size, shape, and moisture content affect feedstock flowability is important for efficient biorefinery operation. We present the use of our open-source discrete element method (DEM) solver for predicting flows in large scale hoppers and assess its performance on state-of-the-art high performance computing platforms that use heterogenous computing architectures.

bioenergy↗

DOE OSTI2023

Mesh and model requirements for capturing deep-stall aerodynamics in low-Mach-number flows

Here, this work presents a comprehensive computational fluid dynamics investigation of the effects of grid resolution and turbulence-model choice for capturing the unsteady three-dimensional aerodynamic performance of NACA 0012 and 0021 airfoils, with specific focus on the deep-stall regime. At high angles of attack (α), wind turbine blades routinely experience vortex-induced vibrations, which can cause significant structural damages. Accurate predictions of post-stall aerodynamics can identify the frequencies at which such vibrations maybe triggered. In this context, the NACA 0012 airfoil simulations are conducted at a chord-based Reynolds number, Re c =2×10 6 , with the k-ω Shear-Stress Transport Reynolds-Averaged Navier-Stokes (RANS) and Improved Delayed Detached Eddy Simulation (IDDES) hybrid RANS-Large Eddy Simulation turbulence models. The effect of mesh resolution both in the wall-normal and spanwise directions is investigated. Only the IDDES model with a minimum spanwise resolution of 24 cells per chord length correctly predicts the aerodynamic forces. Spectral analysis shows the peak primary shedding frequency at α=30°, which signifies the end of the stall region. In the post-stall regime, both lift and drag frequencies drop asymptotically with increasing α. The Strouhal number, based on normalised chord length, remains nearly constant in this region. Based on this study, NACA 0021 airfoil runs are performed with IDDES for Re c =2.7×10 5 and 2.0×10 6 on the finest wall-normal mesh and three spanwise grids. Simulations conducted on the finer spanwise grids demonstrate grid independence and show good agreement with experiments. The effect of varying Rec on the airfoil frequency statistics is investigated. Additionally, comparison studies are presented to investigate the impact of airfoil thickness on the frequency content at Re c =2.0×10 6 . The results from the study provide guidance on the choice of mesh resolution with the IDDES model to accurately capture aerodynamic quantities for complex industrial applications.

17 WIND ENERGY↗

DOE OSTI2024

Multi-physics modeling of tungsten collector probe samples during the WEST C4 He campaign

Abstract We describe the results of a multi-scale, multi-physics modeling assessment of SOLPS-ITER, hPIC2, RustBCA and Xolotl, in which five single-crystal tungsten (W) samples were placed in a reciprocating collector probe and exposed to helium (He) plasma in the WEST fusion device. In our models, we considered a pure (100 %) He plasma, as well as one with oxygen (O) present (95% He 5% O) corresponding to the impurity concentration estimated during the C4 He campaign in WEST. Our SOLPS simulations approximately match experimental reciprocating Langmuir probe plasma measurements of plasma density and temperature. Using these plasma parameters as input, hPIC2 and RustBCA predict that the presence of oxygen impurities lead to a 15%–20% decrease in ion and heat fluxes to the surface, and an order of magnitude higher sputtering yields (compared with a pure He plasma). Xolotl predictions for the response of tungsten to plasma surface interactions (PSIs) agree with experimental LAMS analysis, and indicate large near-surface He concentrations, which quickly decay with depth. Our model also shows an increasing role of erosion—in removing the near-surface He—with time. Overall, slightly higher retention is predicted for tungsten exposed to a pure He plasma, with the largest differences in the near-surface gas content caused by the large oxygen-induced erosion. This highlights the important role that impurities play in PSI. Therefore, future work will focus on providing a fully self-consistent description of oxygen (and oxides, etc.) in our models, through multi-species implementation in GITR and inclusion of oxygen and tungsten oxide formation in Xolotl.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗