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DOE OSTI2025

Advances in understanding vacuum break dynamics in liquid helium-cooled tubes for accelerator beamline applications

Understanding air propagation and condensation following a catastrophic vacuum break in particle accelerator beamlines cooled by liquid helium is essential for ensuring operational safety. This review summarizes experimental and theoretical work conducted in our cryogenics lab to address this issue. Systematic measurements were performed to study nitrogen gas propagation in uniform copper tubes cooled by both normal liquid helium (He I) and superfluid helium (He II). These experiments revealed a nearly exponential deceleration of the gas front, with stronger deceleration observed in He II-cooled tubes. To interpret these results, a one-dimensional (1D) theoretical model was developed, incorporating gas dynamics, heat transfer, and condensation mechanisms. The model successfully reproduced key experimental observations in the uniform tube system. However, recent experiments involving a bulky copper cavity designed to mimic the geometry of a superconducting radiofrequency (SRF) cavity revealed strong anisotropic flow patterns of nitrogen gas within the cavity, highlighting limitations in extrapolating results from simplified tube geometries to real accelerator beamlines. To address these complexities, we outline plans for systematic studies using tubes with multiple bulky cavities and the development of a two-dimensional (2D) model to simulate gas dynamics in these more intricate configurations. As a result, these efforts aim to provide a comprehensive understanding of vacuum breaks in particle accelerators and improve predictive capabilities for their operational safety.

Beamline tube↗

DOE OSTI2026

Dataset describing two reference models for full-spectral lighting and daylight simulations together with implementations for two software systems

A dataset of two spectral lighting simulation reference models - one office and one factory hall - is presented. It aims to demonstrate and support full-spectral daylight and electric lighting simulations and facilitate evaluation of non-visual effects of light. The dataset includes Rhino CAD geometry, comprehensive spectral material and light source data and window system BSDF data. Example implementations in the two software tools, Radiance and OWL, enable reproducible workflows and support adoption in other software. The dataset is openly available on Zenodo. The office model reproduces Room 518 at the University of Innsbruck, including a west-facing façade and interior furnishings. The factory hall model follows the proposed geometry in the European standard 15193 for building energy performance. Interior reflectances in the office were measured in-situ using a handheld spectrometer. Exterior spectra and factory hall materials matching specified reflectances were obtained from an online spectral materials database. Glazing transmittance was derived from IGDB data using LBNL Optics/WINDOW. BSDFs for venetian blinds at various tilt angles, and for a diffusing pane adapted from the Complex Glazing Database, were generated in WINDOW. Luminaires in both models are specified with photometric files (Eulumdat/IES) and lamp spectra (Fluorescent 840, 4000 K LED). The provided example implementations (Radiance, OWL) include prepared input data and scripts to run first spectral simulations; example results are also included. The dataset is prepared to support reuse by researchers, designers and software developers for method validation, software engineering and comparison, and development of spectral metrics and controls.

Geisler-Moroder, David↗

DOE OSTI2025

Influence of strain-rate on the response of elastomeric architected materials

Architected materials have shown substantial promise in impact mitigation and protective applications, and there has accordingly been great interest in better characterizing their response at elevated strain rates due to impact. There remains ambiguity regarding the contribution of inertial and material responses to strain rate sensitivity, and, in particular, when these effects begin to gain dominance in the impact response of an architected material. The response of soft polymer architected materials as a function of strain rate, in particular, has been little investigated. We characterize the experimental impact response of four soft polymer architected lattice geometries across varying strain rates in the intermediate strain rate regime (∼10 3 s −1 ) using split-Hopkinson pressure bar loading and high speed video characterization of the resulting deformation fields. In conclusion, our results highlight the interplay of influence between constituent material, lattice geometry, length scale, and strain rate in determining the onset of significant inertia effects.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2026

Examination of entrainment, combustibility, and heat transfer due to cell venting inside simplified battery energy storage enclosures

Battery energy storage systems (ESS) assembled of modules containing lithium-ion batteries can pose fire and explosion hazards during thermal runaway because vented gases may accumulate, combust, or escape enclosures. Here, we propose a prototypical configuration composed of the main components of an ESS rack, where modules are represented as rectangles within an enclosure and vent gas is injected steadily through the top of a module. This idealized geometry allows for exploration of how rack-level characteristics can influence smaller single-cell or module-level scales. Through this geometry, we conduct numerical simulations to understand how variations in the vent velocity, temperature, and vertical location affect entrainment rates, fraction of uncombusted fuel, rich-gas coverage, and heat flux to other modules. At lower vent velocities and vertical positions, buoyancy drives enough entrainment and mixing to react with most of the vent gases on the converging plenum. As jet momentum increases and/or buoyancy decreases via higher vent position in the rack, vent gases can propagate into and burn in the divergence plenum. Heat flux to the impinged module scales strongly with vent momentum and temperature, while heat transfer to upper modules peaks when flames in the diverging plenum reach the surface and declines when combustion is suppressed.

Computational fluid dynamics↗

DOE OSTI2025

Experimental investigation of unsteady flow dynamics in therminol-66 using edge tone-induced oscillations

Recent research has demonstrated that flow oscillations induced by a wedge positioned opposite the jet outlet in edge tones can be effectively utilized for flow measurement purposes. This highlights the necessity for developing advanced instrumentation capable of precise flow measurements in experimental setups exposed to radiation and in challenging fluids such as molten salts. Here, this study contributes to the existing body of knowledge by conducting experiments using Therminol-66, an effective surrogate for FLiBe under appropriate temperature conditions for nuclear applications, across a broad range of Reynolds numbers from 17,700 to 555,000. Experiments were conducted with Therminol-66 at approximately 368.8 K under atmospheric pressure, with varying flow rates. A reliable correlation was established between the generated frequencies, corresponding flow rates, and device geometry parameters. The data were subjected to non-dimensional analysis to reveal the interrelationships among flow rate, fluid properties, device geometry, and their impact on the acoustic tones produced by the edge tone device. These findings contribute to the development of precise flow measurement instrumentation for use in challenging environments.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗

DOE OSTI2024

Toward a high-fidelity tritium transport modeling for retention and permeation experiments

We report Tritium Migration Analysis Program version 8 (TMAP8), the latest version of TMAP, was developed within the framework of the Multiphysics Object-Oriented Simulation Environment (MOOSE). Created at Idaho National Laboratory (INL), MOOSE is an open-source, dimension-agnostic, fully coupled, and fully implicit multiphysics platform featuring massively parallel computation capabilities. Using TMAP8, tritium transport in a divertor monoblock was analyzed to elucidate the effects of pulsed operation (up to fifty 1,600 s plasma discharge and cool-down cycles) on the tritium in-vessel inventory source term and ex-vessel release term (i.e., tritium retention and permeation) for safety analysis. With its built-in Message Passing Interface capability, TMAP8 can, in under 2 h, simulate tritium transport in three different layered materials (i.e., tungsten, copper, and copper-chromium-zirconium alloy) in 2D geometry, using a single device/computer with 10 cores. The MOOSE-based TMAP8 code can leverage other MOOSE tools developed under the Nuclear Energy Advanced Modeling and Simulation program to perform tritium and thermal transport in complex geometries and multiphysics environments. And via its massively parallel computation, MOOSE will enable the fusion pilot plant designers to conduct high-fidelity multiphysics modeling for the design of the divertor and blanket systems as well as for the safety analysis.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Conceptual design of ELM control coils for the TCABR tokamak

An upgrade of the Tokamak à Chauffage Alfvén Brésilien (TCABR) is being designed to make it capable of creating a well controlled environment where the impact of resonant magnetic perturbation (RMP) fields on edge localised modes can be addressed over a wide range of (i) plasma shapes, (ii) divertor configurations, (iii) RMP coil geometries and (iv) perturbed magnetic field spectra. To this end, a unique set of in-vessel RMP coils is being designed and, in this work, their conceptual design is presented. This unique set of coils is composed of three toroidal arrays of coils on the low field side and three toroidal arrays of coils on the high field side. Each of these six toroidal arrays is composed of 18 coils thus allowing for the creation of RMP fields with toroidal mode numbers n ≤ 9 and with increased control of the poloidal mode number spectrum. To study dynamical effects of RMP fields of different toroidal mode numbers, all rotating simultaneously with different velocities, each of the 108 RMP coils will be powered independently by power supplies that can provide voltages of up to 4 kV and electric currents of up to 2 kA, with frequencies varying continuously from 0Hz up to 10kHz. A set of physical criteria were used to determine the optimal coil geometry and their respective number of turns to reduce the coil currents and voltages during operation with alternate current. Further, the conceptual design was carried out using both the vacuum approach (no plasma response) and the single-fluid response approach, which accounts for the response of a linear, single-fluid, visco-resistive plasma calculated using the M3D-C 1 code.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Computing material volume fractions on a superimposed mesh as applied to Monte Carlo particle transport simulations

Here, we present a newly implemented ray tracing algorithm in OpenMC for efficiently computing material volume fractions on superimposed meshes in complex geometries. By firing rays along each coordinate direction through the geometry, the approach accumulates track-length data in each mesh element, thereby determining the fractional composition of each material. Scaling studies on three different models—a random tetrahedra configuration, the Frascati Neutron Generator ITER dose rate benchmark, and a stellarator design—show excellent parallel performance, with nearly linear speedup on modern multi-threaded and distributed-memory systems. An analysis of the residual error relative to high-resolution reference solutions demonstrated that under optimal conditions it decreases as 1/R, where R is the number of rays fired, making it straightforward to achieve user-prescribed accuracy. This new functionality enables practical, mesh-based approaches for detailed nuclear analyses in production Monte Carlo workflows without resorting to expensive, fully conformal or unstructured meshing.

Monte Carlo↗

DOE OSTI2026

Preliminary neutronic and thermal analysis of Inertial Fusion Energy systems with a focus on thick liquid wall concepts

This paper provides an assessment of the neutronic behavior of Inertial Fusion Energy systems using the Serpent 2 Monte Carlo code. The study explores different types of reactor concepts, including dry-wall and thick liquid wall systems. In particular, it characterizes the tritium breeding and energy multiplication performance, as well as the effect of long-term irradiation on structural materials. For this purpose, the displacement per atom (DPA) and the gas production rate in structural materials are calculated. A simplified geometry with varying geometrical parameters is used as a representation for the different kinds of devices. Additionally, the case of the HYLIFE-II concept is used to assess modeling inaccuracies arising from certain approximations. A comparison between the simplified geometry and a realistic one is performed, thanks to Serpent’s capability to run transport calculations on unstructured meshes. The study then addresses the impact of these discrepancies on the temperature distribution in the first wall using the GeN-Foam code for conjugate heat transfer analysis. The results highlight the necessity to consider the heterogeneous nature of the liquid wall, as simplified models tend to underestimate radiation damage metrics and heat loads.

Conjugate heat transfer↗

DOE OSTI2026

Predicting roughness effects in additively manufactured coolant channels with helical enhancements

Additive manufacturing (AM) is a promising technique for fabrication of complex geometries such as those expected to be utilized in the blanket, first wall, and divertor. In the case of cooling, metallic AM may be exploited to embed geometric enhancements (ribs, rifling, etc.) to improve cooling performance. However, due to the roughness of these unfinished internal AM surfaces, prediction of thermal hydraulic performance in such channels is difficult. In this work, we consider a methodology for predicting pressure drop and heat transfer in AM channels containing helical enhancements (e.g. helical ribs, twisted tapes) that allows the incorporation of roughness data through conventional pipe flow correlations. This methodology is tested using experimental friction factor and heat transfer coefficient data from high-pressure helium coolant flow measurements in AM stainless steel tubes fabricated by laser powder bed fusion. Both a featureless AM tube and one containing helical ribs were considered alongside a conventionally manufactured smooth tube. The AM surface roughness is obtained by profilometry and used to predict an equivalent sand-grain roughness, with this equivalent roughness confirmed through AM featureless tube measurements. Under the proposed methodology, this roughness information is incorporated into predictions of friction factor and Nusselt number for the rifled tube. Furthermore, these predictions agree well with experimental data across a large range of Reynolds numbers, encouraging the use of this methodology for thermal hydraulic analysis of similar systems and design of future coolant channel geometries.

Additive manufacturing↗

DOE OSTI2026

Optical diagnostic design for measuring the radiation front with a mid-leg pumped divertor on DIII-D

The design of an optical diagnostic system to localize the radiation front in a mid-leg pumped divertor configuration on DIII-D is presented. Divertor detachment is a key mechanism for handling power exhaust in tokamaks, and mid-leg pumping offers a promising approach to radiatively dissipate power while maintaining acceptable core performance. To predict the location of the radiation front and design a spectroscopic diagnostic to measure its position, a database of SOLPS-ITER simulations across a range of input powers and gas puffing rates representative of DIII-D operation was employed. These simulations provide self-consistent plasma backgrounds for a Cherab-Raysect synthetic diagnostic framework, which incorporates detailed tokamak geometry and physically accurate ray-tracing. Synthetic simulations of optical sightlines and viewing cone geometry were used to calculate line-integrated emission from the plasma, particularly of the C III 465 nm line, to serve as a proxy for the T e ≈ 7 − 10 eV temperature region associated with the onset and evolution of divertor detachment. Neutral deuterium emission is also evaluated for comparison. The synthetic diagnostic is used to assess the performance of existing DIII-D optical systems, including filterscopes and the Multichord Divertor Spectrometer, and to optimize line-of-sight placement within mechanical and installation constraints. The results provide quantitative guidance for diagnostic implementation on DIII-D and demonstrate the advantage of integrated synthetic diagnostics for divertor design studies and future advanced divertor concepts.

Cherab↗

DOE OSTI2025

Molecular insights into Yb(III) speciation in sulfate-bearing hydrothermal fluids from X-ray absorption spectra informed by ab initio molecular dynamics

Rare earth elements (REEs) are critical for advanced technologies, yet in hydrothermal aqueous solutions the molecular level details of their interaction with ligands that control their geochemical transport and deposition remain poorly understood. Here, this study elucidates the coordination behavior of Yb 3+ in sulfate-rich hydrothermal fluids using in situ extended X-ray absorption fine structure (EXAFS) spectroscopy and ab initio molecular dynamics (AIMD) simulations. By integrating multi-angle EXAFS with AIMD-derived constraints, we precisely resolve Yb 3+ coordination structures and ligand interactions under hydrothermal conditions. At room temperature, Yb 3+ is coordinated by five water molecules and two sulfate ligands (coordination number, CN = 8), forming a distorted square antiprism geometry. Increasing temperature induces progressive dehydration, reducing the hydration shell and favoring stronger sulfate complexation. At 200°C, sulfate ligands reorganize around Yb 3+ , shifting its geometry to a capped octahedron (CN = 7). At 300 °C, sulfate binding dominates, leading to structural reorganization that parallels the onset of sulfate mineral precipitation, consistent with the retrograde solubility of REE sulfates. These findings provide direct molecular-scale evidence that sulfate acts as both a transport and deposition ligand, critically influencing REE mobility in geochemical environments. Our results can also help to refine thermodynamic models of REE speciation in high-temperature hydrothermal fluids and improve our understanding of REE ore formation processes in nature.

AIMD↗

DOE OSTI2026

3D seismic imaging of a fracture damage zone controlling reservoir compartmentalization at the Raft River EGS using multi-azimuth walkaway VSP

Accurate imaging of steeply dipping fracture zones in crystalline enhanced geothermal systems (EGS) is critical for constraining permeability architecture and guiding stimulation design. However, such structures remain poorly resolved by conventional surface seismic methods. We present a fully three-dimensional (3D) elastic-waveform inversion-migration workflow applied to multi-azimuth walkaway vertical seismic profiling (VSP) data acquired in a deviated borehole at the Raft River EGS. The workflow integrates first-arrival traveltime tomography, multi-scale elastic waveform inversion (EWI), and elastic least-squares reverse-time migration (ELSRTM) to recover high-resolution compressional-and shear-wave velocity models and to image structural discontinuities in the crystalline basement. The results reveal a laterally continuous low-velocity anomaly, with shear-wave velocity reductions of 25-30%, consistent with fractureinduced mechanical weakening. Two steeply dipping discontinuities bound a 50-80 m wide fracture damage zone. Independent constraints from microseismic clustering and geochemical compartmentalization corroborate the geometry and structural significance of this feature. Synthetic modeling further confirms that structures of this scale are resolvable (~30 m). These findings indicate that the Narrows structure is a distributed fracture damage zone rather than a discrete fault plane. By resolving fracture-zone geometry at the tens-of-meters scale using a single borehole, this workflow provides a practical and transferable approach for improving structural characterization, reducing uncertainty in permeability architecture, and supporting reservoir modeling and stimulation design in fractured crystalline EGS reservoirs.

58 GEOSCIENCES↗

DOE OSTI2024

Value of abstraction in performance assessment – When is a higher level of detail necessary?

In this study, different approaches in performance assessment (PA) of the long-term safety of a repository for radioactive waste were examined. This investigation was carried out as part of the DECOVALEX-2023 project, an international collaborative effort for research and model comparison. One specific task of the DECOVALEX-2023 project was the Salt Performance Assessment Modelling task (Salt PA), which aimed at comparing various models and methods employed in the performance assessment of deep geological repositories in salt. In the context of the Salt PA task, three distinct teams from SNL (United States), Quintessa Ltd (United Kingdom), and GRS (Germany) examined the consequences of employing different levels of abstractions when modelling the repository's geometry and implementing various features and processes, using the example of a simple hypothetical repository structure in domal salt. Each team applied their own tools: PFLOTRAN (SNL), QPAC (Quintessa) and LOPOS (GRS). These differ essentially regarding numerical concept and degree of detail in the representation of the underlying physical processes. The discussion focused on when simplifications can be appropriately applied and what consequences result from them. Furthermore, it was explored when and if a higher level of fidelity in geometry or physical processes is required.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2025

Influences of shock imprinting on mix in a 3D-printed porous media

Mixing of materials in porous media can cause a significant impact on fusion yield as previously demonstrated by the National Ignition Facility (NIF) MARBLE Campaign. Initially, the reactants are separated, with deuterium in the lattice struts and a tritium gas fill in the voids. Lattice parameters such as the strut thickness and relative pitch, provide a control for the mix parameters in the experiment. Los Alamos National Laboratory’s (LANL) BOSQUE project looks to better understand how the mix of the reactants and shell materials impact the fusion burn and resultant yield on various laser platforms. xRAGE’s Eulerian hydrodynamics and adaptive mesh refinement (AMR) provide the unique ability to study the impacts of multiscale features of complex lattice structures. This modeling provides the ability to measure shock front variations as the wave progress’ through a given media. Initial conditions of the lattice are essential to accurately model mix and burn measured by experiment. By varying the initial orientation and densities of these lattice regions the early time dynamics of how the shock is launched into the system is changed and advocates for the study of resulting effects. In this work, we will study the sensitivities of shock effects in varying 3D printed geometric systems and how these shocks alter the structure and mix in the lattice. We will discuss both preliminary experimental results and simulations to help plan and constrain future experiments where we will study the impact of different lattice geometries and lattice bulk densities. This work concludes with the relative impacts of lattice geometries on shock speeds at different bulk densities and the resultant mix widths due to those shock interactions. We see agreement with theory at the higher end of our bulk density study, however, as we approach lower bulk density systems the dynamics of these interactions begin to change.

2 Photon Polymerization↗

DOE OSTI2024

Low-cost fin-tube heat exchanger design for building thermal energy storage using phase change material

Heat transfer in phase change materials (PCMs) is complex because the melting and freezing fronts change as functions of stored or released heat. In prior attempts to optimize heat exchangers (HXs) in one or two dimensions, complex geometry has often been used to maximize the melt and freeze front area. This complex geometry is difficult and hence expensive to construct. This paper proposes a multiple-scale 3D finite element modeling approach to design fin-tube HXs for low-cost latent thermal energy storage applications. Further, the optimal fin and tube designs were determined at three scales (unit-scale, medium-scale, and large-scale) by modeling the melt and freeze front in three dimensions and using measured bulk thermal properties. The finite element model was validated by comparing it with the experimental data for a referenced design of a similar type. The results indicate that commercially available organic PCMs with low conductivity (<0.3 W/m·K) can have charge and discharge times appropriate for building thermal energy storage (i.e., 4–5 h) with fin-tube HX designs at costs <$26/kWh, even when the temperature difference (5.56°C) between the heat transfer fluid and the PCM phase change temperature is small. However, as the HX increases in length, the temperature reduction along the tube limits some larger-scale designs.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

Numerical assessment of triply periodic minimal surfaces for direct air capture of carbon dioxide

Direct air capture (DAC) systems often consist of packing material wetted by a capture fluid that reacts with CO 2 in the airstream. The efficiency of the contactor is determined by a complex relationship of fluid dynamics, heat and mass transfer, contactor geometry, and chemical properties. The efficiency of the contactor must be balanced with other factors, primarily pressure drop through the system. Triply periodic minimal surfaces (TPMS) are a class of differential surfaces that have been explored in multiple engineering applications and have been shown to exhibit excellent performance when used in heat exchangers. Their tortuous path provides a high surface-to-volume ratio and favorable trade-off between contact area and pressure drop. In this work, a gyroid-type TPMS contactor was evaluated using computational fluid dynamics for a variety of geometric parameters to explore the potential benefit of TPMS shapes for DAC applications. A thin-film model was employed to model the flow and distribution of the capture solvent, allowing efficient simulations of TPMS structures at scale by eliminating the need for a computationally intensive interface capturing method. A liquid-gas mass transfer model was implemented in the commercial software STAR-CCM+ and used to predict the CO 2 capture efficiency and study the trade-off between capture performance and pressure drop through analysis of capture rates, mass transfer coefficients, and other relevant variables. TPMS contactors with a variety of geometric parameters and two capture solvent options were investigated to determine the effect of design choices on the operational performance of DAC systems. In conclusion, results showed that while contactor geometry is the dominant factor in efficiency and pressure drop, the physiochemical properties of the solvent are an important secondary influence on the contactor performance.

CFD↗

DOE OSTI2025

Deep learning model for fast, science-based forecasting of fluid migration along faults in geologic carbon storage scenarios

Effective long-term geologic storage depends on robust site selection and credible, science-based forecasting of subsurface behavior to ensure storage integrity. For this work, we develop a deep learning–based reduced-order model (ROM) to quantify potential carbon dioxide (CO₂) and brine migration through geological faults. The ROM combines a Transformer model for binary classification and a Stacked Ensemble for regression, trained on a comprehensive dataset generated from 1400 physics-based reservoir simulations. Key geologic and operational parameters—including fault geometry, reservoir structure, and injection conditions—were systematically varied to capture a wide range of fluid migration scenarios. The ROM accurately predicts the onset of migration, cumulative migration volumes of both CO₂ and brine, and associated migration rates, as compared to an independent set of validation simulations, while significantly reducing computational cost compared to traditional simulation methods. Model performance was evaluated across diverse fault configurations, revealing that shallow reservoir geometry and fault angle are among the most influential factors governing migration behavior. Sensitivity analysis using SHapley Additive exPlanations (SHAP) provided interpretability, revealing distinct patterns in how geological and operational features drive transient versus cumulative migration outcomes. The ROM’s ability to rapidly simulate fault migration scenarios enables efficient sensitivity analyses, scenario evaluations, and decision support for site selection and monitoring design. This approach enhances the safety, scalability, and long-term operational performance of geologic carbon storage (GCS) systems by providing a robust, interpretable tool for predicting subsurface fluid migration and assessing fault-related migration potential.

42 ENGINEERING↗