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DOE OSTI2023

Multi-Objective Optimization of a Bi-Metal High-Temperature Recuperator for Application in Concentrating Solar Power

Supercritical CO 2 closed Brayton cycles are a major candidate for future power cycle designs in concentrating solar power applications, with high-temperature recuperators playing an essential role in realizing their high thermal efficiency. Here, printed circuit heat exchangers (PCHEs) are often chosen for this role due to their thermal-hydraulic and mechanical performance at high temperatures and pressures, all while remaining compact. However, PCHEs can be costly because of the high-performance materials demanded in these applications, and the heat exchanger internal geometry is restricted by their manufacturing process. Additively manufactured heat exchangers can address both of these shortcomings. This work proposes a modular bi-metal high-temperature recuperator with integrated headers to be produced with additive manufacturing. Beginning with existing PCHE channel geometries, a 1D heat exchanger model is developed. Then, multi-objective optimization is used to maximize the heat transfer effectiveness of a lab-scale device while limiting its size. Two distinct channel geometries emerge from the optimization. Optimal designs achieve up to 88% effectiveness with negligible pressure drop. Deterioration of effectiveness due to axial conduction of heat in the heat exchanger walls is found to be a notable problem for lab-scale PCHEs, and the optimal designs obtained here minimize its detrimental effects. A sensitivity analysis reveals that the effectiveness of the recuperator is much less sensitive to variation in mass flowrate in off-design operation when axial conduction is significant, while increasing the length of the device easily increases effectiveness.

14 SOLAR ENERGY↗

DOE OSTI2026

Effects of Heat Treatment on Microstructure, Thermal Transport and Stability in SRF Niobium

Efficient heat transfer and thermal stability are critical for preventing thermal quench and ensuring the high performance and reliability of superconducting radiofrequency (SRF) cavities, especially under high RF fields. In this article, we investigate thermal conductivity and heat capacity of high-purity cold-worked niobium used in SRF applications, with a particular focus on the effects of high-temperature heat treatments. Our measurements reveal a pronounced sensitivity of thermal transport and thermodynamic properties to the underlying microstructure such as grain size and dislocation density. The results show the critical role of controlled heat treatment processes in optimizing the thermal performance of SRF niobium, providing valuable insights for improving cavity fabrication and processing.

36 MATERIALS SCIENCE↗

DOE OSTI2024

INL Poster - Juan Barrera Salazar

Generation IV nuclear reactors introduce several advantages and benefits in terms of safety and efficiency when compared with their predecessors from previous generation. This is due, among many things, to the use of innovative forms of fuel and coolant, different from the conventional ones used in the last decades. Given that these upcoming designs utilize emerging technologies, the related instrumentation is also in the process of being developed; therefore, it is necessary to establish the sensitivity requirements and the effects of uncertainty on different properties of the components and elements of the reactor designs. This report presents the results of simulations that quantify the impacts of the uncertainties of four thermophysical properties of the refrigerant salt (LiF-BeF2) for the Kairos Power benchmark model (g-FHR) for steady state making use of the Sobol’ method through polynomial chaos surrogate modeling. The properties of the salt to which uncertainty was evaluated were density, dynamic viscosity, thermal conductivity and heat capacity. This study was carried out using the Griffin/Pronghorn multiphysics model under the computational resources of the Idaho National Laboratory (INL) High Performance Computing (HPC). The results indicate a weak dependence of the uncertainty of thermal conductivity on the quantities of core pressure drop and core outlet temperature.

21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLAN↗

DOE OSTI2024

Thermal conductivity of 3D-printed block-copolymer-inspired structures

This study primarily focuses on examining the impact that geometric structure has on thermal conductivity of multi-phase constructs in different 3D-printed poly(lactic acid), PLA, samples. The investigated structures are inspired by morphologies formed by diblock copolymers: lamellae, hexagonally packed cylinders, and gyroid. This research also investigates how volume percentage and material combination influence the thermal conductivity of these structures. Further, the samples can be tailored to simulate various thermal management structures observed in practical applications, such as thermal interface materials in electronic devices. Thermal conductivity ratio is controlled using air, the least conductive material at 0.026 W/(m K), PLA at 0.136 W/(m K), and thermal paste at 5.11 W/(m K). Different models were tested against thermal conductivity measurements in order to capture the effect of material type (PLA-Air versus PLA-Thermal Paste), volume percentage, structure, and orientation. Simple, effective medium models were good predictions of thermal conductivity in lamellar structures, but it was necessary to develop models for conduction through cylindrical and gyroid structures. Finally, all results were normalized to find a universal model that is independent of structure and material. This approach provides a simple method to predict how to reduce or enhance transport properties and heat management capabilities of 3D printed objects.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Stochastic Thermo-Hydro Modeling and Neural Network Surrogate Development for Thermal Resource Assessment of the Galleries-to-Calories Geobattery

The Galleries-to-Calories Geobattery concept explores the use of abandoned coal mine workings for large-scale thermal energy transport and storage. The system involves injecting waste heat from a supercomputing facility into flooded mine galleries, where groundwater flow can store and transport thermal energy for potential recovery in downgradient district heating and cooling applications. To evaluate the feasibility and performance of the Geobattery under geological and operational uncertainty, we developed a suite of stochastic thermo-hydrological (TH) simulations using Monte Carlo sampling of key uncertain parameters (e.g., permeability, porosity, thermal conductivity, specific heat capacity) and operating conditions (e.g., injection rate, injection temperature). Results identified injection rate and temperature as the most influential parameters governing thermal front propagation, while the geometry of the room-and-pillar structure played a critical role in directing the extent and orientation of thermal advancement. Optimal combinations of material properties for maximizing heat recovery were also determined. To address the high computational cost of coupled-process stochastic modeling, we trained a neural network surrogate model on 24,000 physics-based realizations, achieving an R² > 0.99 and MAE < 0.1 for temperature predictions at monitoring locations. This surrogate enabled an additional 100,000 realizations for global sensitivity analysis and probabilistic thermal resource assessment. The integrated stochastic physics–surrogate modeling framework offers a computationally efficient tool for quantifying uncertainty, identifying key drivers, and informing early-stage design decisions for Geobattery systems.

15 - GEOTHERMAL ENERGY↗

DOE OSTI2022

Verification of a specialized hydrodynamic simulation code for modeling deflagration and detonation of high explosives

A specialized hydrodynamic simulation code has been developed and verified for the simulation of one-dimensional unsteady problems involving the detonation and deflagration of high explosives. To model all the relevant physical processes in these problems, a code is required to simulate compressible hydrodynamics, unsteady thermal conduction, and chemical reactions with complex rate laws. Several verification exercises are presented which test the implementation of these capabilities. The code also requires models for physics processes such as equations of state and conductivity for pure materials and mixtures as well as rate laws for chemical reactions. Additional verification tests are required to ensure that these models are implemented correctly. Though this code is limited in the types of problems it can simulate, its computationally efficient formulation allows it to be used in calibration studies for reactive burn models for high explosives. Furthermore, this study demonstrates how a series of verification tests can be used to ensure that the various physics processes needed to simulate complex phenomenon can be tested to ensure that they are correctly implemented.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Thermal boundary conductance between high thermal conductivity boron arsenide and silicon

Thermal boundary conductance (TBC) is important for heat dissipation in light-emitting diodes (LEDs). In this study, we predicted the TBC between the high thermal conductivity boron arsenide (BAs) and silicon (Si) by nonequilibrium molecular dynamics (MD) simulations. From the thermal conductivity accumulation function with respect to phonon frequency, the dominant phonon frequencies for heat conduction in BAs are extremely different from those in Si. However, our nonequilibrium MD simulations indicated that the TBC of the BAs/Si interface was still high compared to most other interfaces, even though there was a major frequency mismatch in the thermal conductivity accumulation function between BAs and Si. The primary reason for the high TBC is the overlap of phonon density of states between BAs and Si in the frequency range of 5–8 THz. The range of predicted TBC of the BAs/Si interface was between 200 and 300 MW/m2 K in the temperature range of 300–700 K, and the values of the TBC were not sensitive to the temperature. We also found that the TBCs in Si/BAs and Si/Ge interfaces were close to each other considering the simulation uncertainty. This work indicates BAs as an excellent material for heat dissipation across the interfaces.

Wei, Zhiyong (ORCID:000000018686451X)↗

DOE OSTI2025

Development of a conduction-based model for analyzing frozen startup of alkali-metal heat pipes

One key area of interest in heat pipe modeling/simulation is to analyze the startup behavior of the liquid-metal heat pipes (LMHPs) from a frozen state. This so-called ‘frozen startup’ process involves a complex set of nonlinear mass and heat transport phenomena, including phase transitions from solid to liquid and vapor, multiphase interactions, microporous wick flow, and compressible vapor dynamics. The complexity of these processes makes it challenging to simulate LMHP’s frozen startup using conventional numerical methods or commercial computational fluid dynamics (CFD) software. This paper presents a simplified conduction-based modeling approach that can provide practical insights into the entire LMHP frozen startup process, while alleviating the challenges of modeling its complex physics. The theoretical foundation and physical assumptions of the proposed model are based solely on heat-conduction equation, allowing for a more tractable simulation without sacrificing essential physical accuracy. The proposed model was implemented in a commercial CFD software, and its prediction was compared with the experimental data obtained from sodium heat-pipe startup experiments. The comparison highlights the proposed model's ability to capture the transient thermal behavior of LMHP during frozen startup. This study not only validates the conduction-based frozen startup modeling method but also shows its potential as a practical and efficient tool for understanding the startup performance of the LMHP systems.

Microreactor↗

DOE OSTI2021

Progress on Computational Modeling of Water-Based NSTF (FY2021)

This report documents the FY21 progress and achievements made in the computational analyses of the water-based NSTF. Both system-level and high-fidelity Computational Fluid Dynamics (CFD) analyses were performed to gain a complete understanding of the complex flow and heat transfer phenomena in natural convection systems. The progress on the waterbased NSTF experimental testing is summarized in a companion report (ANL-ART-230). As a continuation of progress from previous years, in FY21 the RELAP5 model of the NSTF was first updated to include a representative heated cavity that incorporated convection and conduction means of heat transfer. Two different cavity models were developed, one that models the radiation heat exchange among all surfaces in one enclosure (Cavity Model 1), and another that employs multiple radiation enclosures with each considering the surfaces at one axial level (Cavity Model 2). This updated RELAP5 deck was benchmarked with single-phase test data to tune form loss coefficients of the elbows and tees, along with heat transfer coefficients within the cavity and off the external insulation panels. This tuned model was then found to accurately predict fluid temperatures within 2.5% and both system and riser flow rates within 6% during single-phase, steady-state simulations. For transient simulations, there is a slight over prediction of the flow rate, fluid temperatures, and heater temperatures during the heat-up period, which indicate that the transient heat loss may be underestimated. Following, the capabilities of RELAP5-3D were examined, which feature a conduction enclosure model that is not present in the current version of RELAP5-MOD3.3 used for all previous NSTF simulations. As an initial comparison of the two codes, single-phase simulations were run that used similar input decks. The results indicate that the single-phase flow predicted by the two codes was very similar, however RELAP5-3D appears to predict a higher system flow during the two-phase transient when compared to the flow rates predicted by RELAP5-MOD3.3. Furthermore, RELAP5-3D run did not capture the density wave oscillations or geysering phenomena, which are large oscillation flow instabilities observed in the experimental facility. To further the prediction capabilities for capturing two-phase instabilities, Options 55, 57, 58, 61, which are implemented by default in RELAP5-MOD3.3 but not in RELAP5-3D, were investigated. When enabling Option 61, RELAP5-3D agrees well with MOD3.3 in predicting the total system flow, while other options have negligible effect on the predicted total system flow by RELAP5-3D. However, none of these options enables RELAP5-3D to produce the same flow instabilities. For future steps, efforts are currently underway to investigate RELAP5-3D’s different behavior in predicting low-pressure two-phase instabilities. STAR-CCM+ was used to perform CFD analysis of the water-based test facility and provide simulation results for comparisons to experimental data. Efforts first focused on describing the characteristics of flow within the heated cavity. A study was performed on whether possible leakage flow between the two sides of the cavity could substantially impact and explain the results. An additional second assumption was examined which defined adiabatic side walls, so physical insulation structures were added to the models to allow conduction across this outer insulation. The results suggest that potential porosity of the insulation could be a major factor in the temperature distribution within the cavity and should be considered in any studies where it is desirable to know the cavity wall temperatures to higher accuracy.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

The Langdon effect in laser plasmas: Absorption and conduction

A plasma heated by inverse bremsstrahlung absorption of laser light develops a non-Maxwellian electron distribution function, called the Langdon effect [A. B. Langdon, Phys. Rev. Lett. 44, 575 (1980)]. These non-Maxwellian distributions are sufficiently long-lived to impact the absorption processes itself as well as the transport of heat by electrons. The theory of the Langdon effect in a homogeneous plasma is reviewed to clarify some aspects of Langdon's derivation as well as to confirm that the widely used super-Gaussian approximation works fairly well to describe the shape of the distribution function and reduction of the absorption rate. The Langdon effect on thermal conduction in an inhomogeneous plasma is developed by considering perturbations in a homogeneous absorbing plasma, which develops a heat flux due to both temperature and density gradients. A practical theory of the heat flux is developed by fitting the results of Vlasov–Fokker–Planck simulations, which avoids several approximations that compromised the usefulness of past theoretical predictions, most critically, the effect of electron–electron collisions on the fluxes. The present fits parameterize the coefficients of the temperature gradient (thermal conductivity) and the density gradient for a plasma of any ionization state and for any laser intensity where the theory of the Langdon effect remains locally valid. It is expected that this generalized theory of heat flow in an absorbing plasma will improve the predictive capability of radiation-hydrodynamics simulations of laser-produced plasmas, especially those formed in inertial confinement fusion experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Thermal conductivity of (Ge 2 Sb 2 Te 5 ) 1–x Cx phase change films

Germanium–antimony–telluride has emerged as a nonvolatile phase change memory material due to the large resistivity contrast between amorphous and crystalline states, rapid crystallization, and cyclic endurance. Improving thermal phase stability, however, has necessitated further alloying with optional addition of a quaternary species (e.g., C). In this work, the thermal transport implications of this additional species are investigated using frequency-domain thermoreflectance in combination with structural characterization derived from x-ray diffraction and Raman spectroscopy. Specifically, the room temperature thermal conductivity and heat capacity of (Ge 2 Sb 2 Te 5 ) 1–x C x are reported as a function of carbon concentration (x ≤ 0:12) and anneal temperature (T ≤ 350 °C) with results assessed in reference to the measured phase, structure, and electronic resistivity. Phase stability imparted by the carbon comes with comparatively low thermal penalty as materials exhibiting similar levels of crystallinity have comparable thermal conductivity despite the addition of carbon. The additional thermal stability provided by the carbon does, however, necessitate higher anneal temperatures to achieve similar levels of structural order.

42 ENGINEERING↗

DOE OSTI2020

Spin Seebeck effect in $\mathrm{Cu_2 OSeO_3}$: Test of bulk magnon spin current theory

In this work, we report measurements of the low-temperature (T ≤ 15K) longitudinal spin Seebeck coefficient (S LSSE ) in bulk single crystals of the helimagnetic insulator Cu 2 OSeO 3 with Pt contacts. Simultaneous measurement of both S LSSE and the magnon thermal conductivity (κ m ) demonstrates their correlation and allows for quantitative and favorable comparison to bulk magnon spin current theory.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Thermal and Well Flow Performance of Closed-Loop Geothermal in the Wattenberg Area: Preprint

Closed-loop geothermal systems provide an alternative to resource-constrained hydrothermal systems and stimulation-intensive enhanced geothermal systems. In this work, we apply the slender-body theory (SBT) model, to simulate the well flow and heat transfer performance of U-loop well designs drilled in the Wattenberg area of the Denver-Julesburg Basin. Three U-loop well patterns are investigated including a single, double, and multi-lateral design. The subsurface within area is characterized by deep, hot (> 200degreesC) igneous/metamorphic basement rock underlying multiple sedimentary formations. The lateral section(s) of the U-loop lies within a target depth of 6 km where temperatures are estimated to approach 300degreesC. As a base case, conduction-only heat transfer is investigated through simulations with the SBT model within U-loops with open-hole laterals that exchange heat directly with the hot dry rock using water as a working fluid. The utilization of supercritical CO2 as a heat transfer fluid is also considered. For each scenario, the system performance in terms of annual heat production and temperature profile over a 20-year project lifetime are assessed. Also, the levelized costs of heat and electricity (LCOH and LCOE) are determined using a top-down technoeconomic analysis model. The results show that the performance and cost optimized U-loop design is one having an injection-production well spacing of 1,000 meters with ten 50-meter-spaced laterals that traverse a subsurface system with a temperature gradient of 60degreesC/km. By injecting 20 degreesC-water at a rate of 60 kg/s through this loop, an average heat production of 19 MWth can be achieved, resulting in an LCOE and LCOH of $136/MWh and $1.53/GJ, respectively, over a 20-year project life.

closed-loop geothermal↗

DOE OSTI2025

Extreme heat vulnerability of manufactured housing in arid urban environments

This article explores the role of land cover in relation to housing type and tenure in shaping exposure to extreme urban heat, focusing on residents of mobile and manufactured housing (MH). We hypothesize that MH residents will experience greater exposure to extreme heat than those living in other housing types due to lower levels of proximate vegetation. This hypothesis is based on the unique property relations and tenure regimes that characterize MH, which may disincentivize investments in planting and maintaining trees and vegetation in arid environments. To test this hypothesis, we compare the amount of vegetation on properties across housing types, within-type tenure arrangements and between three urbanized areas in Arizona with different levels of exposure to extreme heat. To conduct this comparison, we combine multispectral land cover data for 1.7 million parcels with tax assessor data and building footprints to measure land cover at a high resolution. We find that MH units have significantly less vegetation than single-family residential properties, and that MH units in MH parks have less vegetation than those on individual lots. We conclude that municipalities should promote (e.g. through incentives or other policy interventions) the planting of more vegetation around MH units where there is a risk of extreme heat exposure. Future research can expand this analysis with a closer examination of how municipal ordinances and policies affect land cover by housing type and tenure.

heat↗

DOE OSTI2025

Thermal and Well Flow Performance of Closed-Loop Geothermal in the Wattenberg Area

Closed-loop geothermal systems provide an alternative to resource-constrained hydrothermal systems and stimulation-intensive enhanced geothermal systems. In this work, we apply the slender-body theory (SBT) model, to simulate the well flow and heat transfer performance of U-loop well designs in the Wattenberg area of the Denver-Julesburg Basin. Three U-loop well patterns are investigated, including a single-, double-, and multi-lateral design. The subsurface within the area of interest is characterized by deep, hot (> 200 degrees C) igneous/metamorphic basement rock underlying multiple sedimentary formations. The lateral section(s) of the U-loop lie(s) within a target depth of 6 km, where temperatures are estimated to approach 300 degrees C. As a base case, conduction-only heat transfer is investigated through simulations with the SBT model within U-loops with open-hole laterals that exchange heat directly with the hot, dry rock using water as a working fluid. The utilization of supercritical CO2 as a heat transfer fluid is also considered. For each scenario, the system performance in terms of annual heat production and temperature profile over a 20-year project lifetime are assessed. Also, the levelized costs of heat and electricity (LCOH and LCOE) are determined using a top-down techno-economic analysis model. The results show that the performance- and cost-optimized U-loop design is one having an injection-production well spacing of 1,000 meters with ten 50-meter-spaced laterals that traverse a subsurface system with a temperature gradient of 60 degrees C/km. By injecting 20 degrees C-water at a rate of 60 kg/s through this loop, an average heat production of 19 MWth (i.e., 2.2 MWe net plant output) can be achieved, resulting in an LCOE and LCOH of $136/MWhe and $1.53/GJ, respectively, over a 20-year project life.

closed-loop geothermal↗

DOE OSTI2024

Reversed-direction 2-point modelling applied to divertor conditions in DIII-D *

Abstract A predictive form of the extended 2-point model known as the ‘reverse 2-point model’, Rev2PM, is applied to a range of detachment levels in the open lower divertor of DIII-D, showing that the experimentally measured electron temperature ( T e ) and pressure ( p e ) at the divertor entrance can be calculated within 50% from target measurements, if and only if a posteriori corrections for convective heat flux are included in the model. Unlike the standard 2-point model, the Rev2PM calculates upstream scrape-off layer (SOL) quantities (such as separatrix T e and p e ) from target conditions (such as T e and parallel heat flux), with volumetric power and momentum losses depending solely on target T e . The Rev2PM is tested against a database of DIII-D inter-ELM divertor Thomson scattering measurements, built from a series of 6 MW, 1.3 MA, LSN H-mode discharges with varied main ion density, drift direction, and nitrogen puffing rate. Measured target T e ranged from 0.4–25 eV over this database, and upstream T e ranged from 5–60 eV. Poor agreement is found between upstream measurements and Rev2PM calculations that assume purely conductive parallel heat transport. However, introducing a posteriori corrections to account for convective heat transport brings the Rev2PM calculations within 50% of the measured upstream values across the dataset. These corrections imply that up to 99% of the parallel heat flux is carried by convection in detached conditions in the DIII-D open lower divertor, though further work is required to assess any potential dependencies on device size or divertor closure.

2-point model↗

DOE OSTI2023

Collection, release, and detection of analytes with polymer composite sampling materials

A unique fiber core sampler composition, related systems, and techniques for designing, making, and using the same are described. The sampler is used to interface with existing field instrumentation, such as Ion Mobility Spectrometer (IMS) equipment. Desired sampler characteristics include its: stiffness/flexibility; thermal mass and conductivity; specific heat; trace substance collection/release dependability, sensitivity and repeatability; thickness; reusability; durability; stability for thermal cleaning; and the like. In one form the sampler has a glass fiber core with a thickness less than 0.3 millimeter that is coated with a polymer including one or more of: polymeric organofluorine, polyimide, polyamide, PolyBenzlmidazole (PBI), PolyDiMethylSiloxane (PDMS), sulfonated tetrafluoroethylene (PFSA) and Poly(2,6-diphenyl-p-phenylene Oxide) (PPPO). Multiple polymer coatings with the same or different polymer types may be included, core/substrate surface functionalization utilized, and/or the core/substrate may be at partially filled with thermally conductive particles.

Addleman, Raymond S.↗

DOE OSTI2020

Pool boiling critical heat flux studies of accident tolerant fuel cladding materials

Pool boiling experiments have been performed at atmospheric pressure on potential accident tolerant fuel (ATF) cladding materials (Zirlo®, Cr coated Zirlo®, FeCrAl coated Zirlo®, and monolithic SiC) to evaluate the Critical Heat Flux (CHF) points. Corrosion resistant coatings of Cr and FeCrAl alloy were deposited on flat Zirlo® samples using cold spray technology. The as-prepared samples after uniform surface polishing were subjected to autoclave tests at 360 °C water and 18.6 MPa for 360 h to simulate prototypic corrosion of the ATF cladding materials in LWR normal operation. Surface characteristics potentially influencing CHF such as surface morphology, roughness, static contact angle, and surface chemistry were characterized using a suite of characterization methods including scanning electron microscopy, 3D optical profilometry, optical contact angle measurements, and x-ray photoelectron spectroscopy (XPS). Thermo-physical properties of the samples such as density, thermal conductivity, and heat capacity were measured by differential scanning calorimetry and laser flash thermal diffusivity measurement. FeCrAl coatings showed CHF values comparable to bare Zirlo® samples, while slightly lower CHF values were observed for Cr coated samples and bulk SiC flats (produced by chemical vapor deposition, CVD). As-deposited Cr coatings showed 67% higher CHF than the as-polished Cr coatings due to its higher surface roughness level. The autoclave testing for the prepared samples generally increased the CHF except for the surface polished Cr coatings. Similar CHF values of bare Zirlo®, FeCrAl coating, and CVD SiC samples were observed after autoclave test but there were negligible change CHF of Cr coatings. XPS studies indicated that the formation or deposition of a few monolayers of hydrophobic carbonaceous species on surface can affect CHF values. The trends in CHF data are discussed in terms of evolution of the surface characteristics of the ATF materials.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗