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DOE OSTI2020

A hybrid porous model for full reactor core scale CFD investigation of a prismatic HTGR

Three-dimensional (3-D) Computational Fluid Dynamics (CFD) analysis of a whole nuclear reactor core is a tremendous challenge due to the large geometric volume and complex structures. Here, this research presents a hybrid porous (HP) model to simplify a prismatic High Temperature Gas-cooled Reactor (HTGR) core, so 3-D CFD investigation can be performed on a full reactor core scale. In the HP model, the prototypic small coolant channels in the nuclear fuel blocks are lumped together to form multiple equivalent large coolant channels, and then the porous medium flow model is applied to each of them. Therefore, heat transfer in fuel blocks is computed by a hybrid combination of solid energy and porous flow energy equations. The similarity between the HP model and prototypic model is achieved by deriving the porous flow permeability, inertial resistance factor, and artificial thermophysical properties. Compared with the widely used whole porous (WP) flow model, the HP model preserves more realistic geometric structures, and therefore more accurate physical processes. The General Atomics' Modular High Temperature Gas-cooled Reactor (MHTGR) design was chosen as a prototype to demonstrate the methodology. Simulations were performed using the prototypic CFD model and HP model at steady-state forced circulation, steady-state natural circulation, and transient conditions that correspond to normal operation, extended period of pressurized cool down, and short-term transients after reactor shutdown, respectively. The comparison shows good agreement between the HP model and prototypic model in the maximum fuel temperature, average solid temperature, and helium flow rate, which demonstrates the potential applicability of the HP model for a full reactor core scale simulation in the future. As a benefit, the HP model reduces the mesh quantity by a factor of 50 from a prototypic model. Correspondingly, the computation time was reduced by a factor of at least 30.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

Multiphysics Co-Optimization Design and Analysis of Double-Side Cooled Silicon Carbide-Based Power Module: Preprint

With the rapid growth of Electric Vehicles (EVs) and Hybrid Electric Vehicles (HEVs), much more rigorous design targets have been set for automotive power electronics, including high power density, high reliability, and low cost. Novel power module and inverter technologies based on wide bandgap (WEG) semiconductors have been developed to meet these design targets, while providing optimal power semiconductor operating temperature and promising thermomechanical performance. Compared with conventional cooling techniques which are normally applied only on one side of power module, double-side cooling approach is now believed to be the solution to enable high power density and low thermal resistance of WEG semiconductor-based power electronics. In this work, we develop a three-phase power module that is double-sided cooled using dielectric fluid jet impingement. In each phase, four silicon carbide (SiC) power semiconductors are bonded to copper busbars without electrical insulation layers. A finite element analysis (FEA) model is created for thermal and thermomechanical analysis. Based on FEA modeling results, we select particular dimensions for a parametric study to optimize thermal and mechanical performance. Using a multi-objective genetic algorithm (MOGA)-based optimization method, we have minimized the maximum junction temperature and thermal stresses within the power module. The multiphysics co-optimization approach has enabled an efficient design process of power modules with greatly reduced computational cost, as compared to conventional processes that rely on exhaustive numerical simulations and iterations.

ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2024

Hybrid magnon-phonon localization enhances function near ferroic glassy states

Ferroic materials on the verge of forming ferroic glasses exhibit heightened functionality that is often attributed to competing long- and short-range correlations. However, the physics underlying these enhancements is not well understood. The Ni 45 Co 5 Mn 36.6 In 13.4 Heusler alloy is on the edge of forming both spin and strain glasses and exhibits magnetic field–induced shape memory and large magnetocaloric effects, making it a candidate for multicaloric cooling applications. We show using neutron scattering that localized magnon-phonon hybrid modes, which are inherently spread across reciprocal space, act as a bridge between phonons and magnons and result in substantial magnetic field–induced shifts in the phonons, triple the caloric response, and alter phase stability. We attribute these modes to the localization of phonons and magnons by antiphase boundaries coupled to magnetic domains. Because the interplay between short- and long-range correlations is common near ferroic glassy states, our work provides general insights on how glassiness enhances function.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Exciton polaron formation and hot-carrier relaxation in rigid Dion–Jacobson-type two-dimensional perovskites

The efficiency of two-dimensional Dion–Jacobson-type materials relies on the complex interplay between electronic and lattice dynamics; however, questions remain about the functional role of exciton–phonon interactions. Here we establish the robust polaronic nature of the excitons in these materials at room temperature by combining ultrafast spectroscopy and electronic structure calculations. We show that polaronic distortion is associated with low-frequency (30–60 cm –1 ) lead iodide octahedral lattice motions. More importantly, we discover how targeted ligand modification of this two-dimensional perovskite structure manipulates exciton–phonon coupling, exciton polaron population and carrier cooling. At high excitation density, stronger exciton–phonon coupling increases the hot-carrier lifetime, forming a hot-phonon bottleneck. Furthermore, our study provides detailed insight into the exciton–phonon coupling and its role in carrier cooling in two-dimensional perovskites relevant for developing emerging hybrid semiconductor materials with tailored properties.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Transmissive concentrated photovoltaic module with cooling system

A spectrum splitting, transmissive concentrating photovoltaic (tCPV) module is proposed and designed for a hybrid photovoltaic-solar thermal (PV/T) system. The system may be able to fully utilize the full spectrum of incoming sunlight. By utilizing III-V triple junction solar cells with bandgaps of approximately 2.1 eV, 1.7 eV, and 1.4 eV in the module, ultraviolet (UV) and visible light (in-band light) are absorbed and converted to electricity, while infrared (IR) light (out-of-band light) passes through and is captured by a solar thermal receiver and stored as heat. The stored heat energy may be dispatched as electricity or process heat as needed. The tCPV module may have an overall power conversion efficiency exceeding 43.5% for above bandgap (in-band) light under a standard AM1.5D solar spectrum with an average concentration ratio of 400 suns. Passive and/or active cooling methods may be used to keep cells below 110° C. while transmitting >75% of out-of-band light to the thermal receiver, which may attain thermal energy capture at temperatures as high as 500° C. or more. A transparent active cooling system may improve the CPV module efficiency by about 1% (absolute) relative to a passive cooling system by reducing the maximum cell working temperature by about 16° C.

Escarra, Matthew David↗

DOE OSTI2022

Numerical modeling and parametric study of a dual purpose underground thermal battery

We report integrating thermal energy storage with building energy systems can enable flexible building electric demands at buildings to help mitigate the mismatch between electricity supply and demand. A novel building heating and cooling system that integrates a dual-source heat pump with hybrid thermal storage named dual-purpose underground thermal battery (DPUTB) has been developed for reshaping building electric demands. The proposed DPUTB integrated geothermal heat pump system is an original innovation that enables Grid-interactive Energy Efficient buildings. This paper focuses on the study of the novel DPUTB. The DPUTB works as both a thermal storage tank (an inner tank) and a ground heat exchanger (an outer tank separated from the inner tank by the insulation material). High fidelity and computationally effective models are needed to predict the performance of the novel DPUTB. This study has developed a simplified dynamic model for the DPUTB according to heat transfer and energy conservation principles and validated it by using experimental data obtained from testing a small-scale DPUTB apparatus. A parametric study was conducted to identify a design that can achieve the target thermal storage performance of load shift and energy efficiency. The parametric study results show that the inner tank shell thermal conductivity and the phase change material's melting point are the two most influencing factors on the performance of the DPUTB. One single full-size DPUTB with the identified design could provide 1-ton cooling (3.51 kW) with the supply temperature lower than 11 °C for 4 hours in summer after being fully charged in 8 hours. The inner tank filled with phase change material is for cooling thermal storage as a latent tank in the design. However, its capacity can be as high as 60 MJ as a sensible water tank for heating storage in winter. In the future study, the DPUTB model will be incorporated into the dual-source heat pump system for evaluating the overall system performance of demand side management in the long term.

25 ENERGY STORAGE↗

DOE OSTI2025

Drift-cyclotron loss-cone instability in 3-D simulations of a sloshing-ion simple mirror

The kinetic stability of collisionless, sloshing beam-ion (45° pitch angle) plasma is studied in a three-dimensional (3-D) simple magnetic mirror, mimicking the Wisconsin high-temperature superconductor axisymmetric mirror experiment. The collisional Fokker–Planck code CQL3D-m provides a slowing-down beam-ion distribution to initialize the kinetic-ion/fluid-electron code Hybrid-VPIC, which then simulates free plasma decay without external heating or fuelling. Over 1 – 10 μs, drift-cyclotron loss-cone (DCLC) modes grow and saturate in amplitude. The DCLC scatters ions to a marginally stable distribution with gas-dynamic rather than classical-mirror confinement. Sloshing ions can trap cool (low-energy) ions in an electrostatic potential well to stabilize DCLC, but DCLC itself does not scatter sloshing beam-ions into the said well. Instead, cool ions must come from external sources such as charge-exchange collisions with a low-density neutral population. Manually adding cool ∼1keV ions improves beam-ion confinement several-fold in Hybrid-VPIC simulations, which qualitatively corroborates prior measurements from real mirror devices with sloshing ions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Integral and Separate Effects Test Facilities To Support Water Cooled Small Modular Reactors: A Review

This study reviews previous experimental facilities and test programs relevant to water-cooled reactor system design and analysis to meet regulatory compliances. This study aims to find the best solution for designing the required experiments, obtaining necessary test data, and verifying the developed computer code/models to support the new reactor design and development while minimizing cost and time while leveraging experiences from previous facilities to minimize. Nuclear reactor licensing requires supportive design, analysis, and experimental results to ensure the safety of the full-scale prototype reactor in regular operation, as well as during postulated accident scenarios. These reactor design analyses are generally performed using system codes and other associated simulation tools that require assessment, verification and validation using an appropriate experimental dataset. Experimental facilities used for reactor system safety analysis and system code assessments are categorized into integral effects test (IET) and separate effects test (SET) facilities. Further, these IET and SET experiments and studies use geometrically scaled systems to reproduce the prototype system behavior at a reasonable cost, albeit with some scaling-related distortions. The design challenge of these model facilities is to identify and minimize scaling distortions while reproducing the most important operational phenomena in steady-state operation and in postulated accident scenarios. Lessons learned from previous experimental facilities, models, and correlations can support the development of new multipurpose, scaled, hybrid, integrated, and modular experimental facilities for advanced light water-cooled small modular reactors (SMRs). Successful operation of these facilities can significantly reduce upfront reactor development and demonstration costs and time to deployment.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2024

Investigation of precooling unit design options in hydrogen refueling station for heavy-duty fuel-cell electric vehicles

Precooling gaseous hydrogen fuel to a cold temperature before refueling a heavy-duty (HD) hydrogen fuel cell electric vehicle (HFCEV) is essential to avoid overheating the vehicle tank, as well as achieving a high state of charge (SOC). Because a large volume of hydrogen is dispensed during each fill, the need for a shorter fill time amplifies the need to precool each load for refueling a HFCEV. Thus, the design and operation of a precooling unit (PCU), as well as the associated capital and operating costs, plays a pivotal role in any plans for heavy-duty hydrogen refueling stations. Here, in this paper, we present a thermodynamic and technoeconomic analysis of a PCU in a gaseous hydrogen refueling station (HRS) for HD HFCEVs. By employing Argonne National Laboratory's hydrogen station cost optimization and performance evaluation (H2SCOPE) model, the refueling of 50 kg of hydrogen on-board type IV tank at ambient temperatures of 15–45 °C and varying fill rates is simulated. The required degree of precooling temperature to obtain either 100% or the maximum possible SOC is obtained from the simulation. Additionally, the simulation results demonstrate that the average flow rate of hydrogen is approximately 40% lower than the maximum flow rate during a typical fill; which motivates further evaluation of the instantaneous hydrogen mass flow rate profile and suggests the scope of improving precooling unit design. Accordingly, a hybrid strategy of precooling hydrogen has been proposed to address the cooling load by sizing the refrigeration unit for the average flow rate of hydrogen, while supplementing the above average peak hydrogen flow cooling load through thermal buffering. The combined technique enables the downsizing of the original PCU capacity by 25–40% and demonstrates a potential cost reduction of the PCU by approximately 30%, which translates to an installed cost reduction of ∼$125,000 per dispenser.

25 ENERGY STORAGE↗

DOE OSTI2024

A Hybrid Heavy Duty Diesel Power System for Off-Road Applications—Concept Validation

A multiyear power system R&D program was completed with the objective of developing an off-road hybrid heavy duty diesel engine with front end accessory drive-integrated energy storage. This system was validated to deliver 10.5–25.6% reduction in fuel consumption over current Tier 4 Final-based 18L diesel engines, over various off-road machine application cycles. The power system consisted of a downsized heavy-duty diesel 13L engine containing advanced combustion technologies, capable of elevated peak cylinder pressures and thermal efficiencies, thermal barrier coatings, exhaust waste heat recovery via SuperTurbo™ turbocompounding, and hybrid energy assisting and recovery through both mechanical and electrical systems. Following the concept definition, design, and analysis phases of the program, the final phase focused on building and validating the performance and efficiency in laboratory tests. While aspects of the system such as start/stop and reduced off-road cooling package energy losses were only analytically evaluated, the main 13L concept engine with full hybrid system was successfully built and tested in steady-state and in transient certification and real-world application cycles. Extensive simulations in Caterpillar's DYNASTY™ software environment utilized the validation test data to assess performance more fully and confidently over varied cycles and strategies. An average fuel consumption reduction of 17.9% was realized, and the majority (~13%) of the benefit stemmed from the core concept 13L engine. In conclusion, a total cost of ownership analysis provides context to commercial viability and where adoption focus should be placed.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2021

Design and engineering challenges of a multi-energy hard x-ray camera for long-pulse profile measurements at WEST tokamak

The WEST tokamak has recently been prepared for long pulse operation with a water-cooled full first wall. Heating is provided by radiofrequency systems, including Lower Hybrid Current Drive (LHCD). The Princeton Plasma Physics Laboratory has developed a multi-energy hard x-ray camera for profile measurements at WEST. The camera is based on a new generation of 2D pixel array detectors that allow the energy threshold to be independently set for each pixel. The diagnostic will provide spatial, temporal and energy resolved measurements of the hard x-ray emission from the full plasma cross-section, investigating several physical quantities such as the electron temperature from continuum emission, the fast electron tail density produced by radiofrequency current drive and runaway electrons, as well as characteristic tungsten x-rays due to beam-target emission at the edge. Overall, this work describes the engineering challenges that the WEST long pulse scenario poses for this diagnostic and how the design addresses and solves them. Vacuum, thermal stress and heat transfer calculations are presented and discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Impact of Insulation Strategies of Cross-Laminated Timber Assemblies on Energy Use, Peak Demand, and Carbon Emissions

Cross-Laminated Timber (CLT) panels have many structural benefits but do not have much thermal resistance. We have developed a solution to insulate CLT structures that uses high-performance insulation panels that provide R-values up to R40/inch. The CLT panels are made of layers of wood laminates (three, five, seven or more). The solution replaces some of the wood laminates in the CLT production with the insulation panels in a staggered fashion so that the wood laminates maintain contact throughout the panel, ensuring the CLT panel’s structural integrity. The insulated CLT panels have factory-installed water-resistive barriers reducing the installation time by eliminating installing insulation and water-resistive barriers on site. Per simulations, the CLT/insulation panel achieved code-required insulation levels with commonly available insulation materials. The significance of the thermal mass of CLT/insulation hybrid building envelopes was quantified by comparing the whole building energy performance and peak demand of traditional low mass and CLT wall assemblies resulting in up to 7% reduction in peak demand for cooling in Knoxville, TN, in a multifamily building. Buildings contribute over 40 percent of carbon emissions. The proposed CLT/insulation hybrid building envelope addresses both operational and embodied carbon by having high thermal resistances due to the embedded insulation sections and eliminating the use of high embodied carbon materials such as steel and concrete. The carbon benefit is estimated.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2026

From atomistic models to machine learning: Predictive design of nanocarbons under extreme conditions

The formation of technologically valuable nanocarbon structures under extreme conditions, such as those produced during high-explosive detonations, remains poorly understood but holds significant potential for the development of controlled synthesis pathways. While detonation shockwaves provide the high-pressure, high-temperature environment required for nanodiamond formation, subsequent cooling and decompression dictate whether the diamond phase is preserved or transformed into other nanocarbon structures. Here, in this study, we employ GPU-accelerated reactive molecular dynamics (ReaxFF) simulations to investigate the graphitization and structural remodeling of detonation nanodiamond under nonlinear quench and pressure-release trajectories. We further investigate how the initial nanodiamond morphology; cuboctahedral, octahedral, or hexagonal prism influences the resulting transformation products. Evolution of nanostructure, allotrope (via simulated x-ray diffraction), carbon hybridization, and ring statistics are tracked during a two-stage quench from 5000 K to 60 GPa. Rapid cooling combined with slow decompression optimizes cubic diamond retention, whereas slow cooling with rapid pressure release promotes surface-to-core graphitization, producing concentric sp 2 -hybridized layers and hollowed inner shells. Octahedral nanodiamonds evolve into carbon nano-onions, initially forming bucky diamonds that progressively transform into fully sp 2 -hybridized structures, while hexagonal prisms preferentially form parallel-stacked graphite layers resembling carbon dots. Transient hexagonal diamond (lonsdaleite) emerges as an interfacial phase, suggesting potential reversibility in the shock-induced graphite-to-diamond transformation pathway transformation route. To extend predictive capabilities, we trained machine learning (ML) regressors on over 10 5 node-hours of molecular dynamics (MD) trajectories. A multilayer perceptron (MLP) model reliably predicts the number of graphitized layers from temperature–pressure trajectories with a coefficient of determination (R 2 ) exceeding 0.90. This high predictive fidelity enables efficient, high-throughput mapping of the synthesis parameter space for optimized graphitization outcomes. Collectively, morphological control combined with optimized quench–decompression conditions promote the selective synthesis of nanocarbon allotropes. This work establishes a data-driven framework for the rational, a priori design of carbon nanomaterials for applications in energy storage, sensing, and biomedicine.

Detonation nanodiamond remodeling↗

DOE OSTI2025

Expanded Accident Scenarios and Frequency Characteristics for a Fast Spectrum Molten Salt Reactor in an Integrated Energy System

Integration of advanced nuclear reactors to industrial processes in an integrated energy system (IES) has many potential advantages. The coupling of nuclear power to varied industrial processes introduces additional accident scenarios unique to the specific systems included in the IES. Similarly, noise in one system of the IES could potentially create negative effects in the other systems. Because of the limited amount of comparable nuclear IES operating experience, there is added value in scoping the inherent behavior of these systems in response to these transients. Here, this paper investigates the safety-related behavior of an open-source IES dynamic model of a fast spectrum molten salt reactor (MSR) powering a regenerative Rankine cycle for electricity production and a hybrid sulfur (HyS) cycle for hydrogen production. The simulations include a loss of cooling water to the Rankine cycle, a loss of sulfur in the HyS cycle, and the frequency characteristics of the entire IES across six orders of magnitude of frequency. The results show safe behavior in response to the two accident scenarios, wherein a disruption in heat transfer leads to increased salt temperatures and a decrease in reactor power. The frequency analysis shows that at higher frequencies, temperature changes propagating through an IES are increasingly damped to the point of negligibility.

Dunkle, Nicholas [Univ. of Tennessee, Knoxville, T↗

DOE OSTI2020

A Hybrid Stochastic-Interval Operation Strategy for Multi-Energy Microgrids

Increasing deployment of distributed energy resources intensifies interactions among electric, gas, heating, and cooling systems. Inherent uncertainties ranging from internal parameters to external inputs also impose significant challenges on system operation. A coordinated scheduling method is, therefore, desired for facilitating efficient operation of multi-energy microgrids under multiple uncertainties. In this paper, a deterministic coordinated scheduling model is developed first with detailed modeling of system dynamics and device parameters to fully characterize complex interactions among multi-energy carriers. Then, a hybrid stochastic-interval method is proposed to account for heterogeneous uncertainties in decisions of operational strategies. Specifically, performance and efficiency uncertainties of distributed energy resources, and injection uncertainty of renewable sources and multienergy demands are characterized by interval-based uncertain operation regions and probability distributions, respectively. A scenario-based two-stage algorithm is developed to solve the problem so that multiple uncertainties are preserved in the entire decision-making process. Moreover, adjustable operational strategies are determined to hedge uncertainty by considering operators’ risk preferences. The validity of the proposed method is verified by comprehensive case studies on a test system.

hybrid stochastic-interval approach↗

DOE OSTI2024

Influence of printing parameters on the mechanical behavior of 3D-printed SS316L parts manufactured using laser hot wire directed energy deposition

Hybrid manufacturing combines the simultaneous benefits of additive manufacturing (complex geometries, part consolidation, and mass customization) with the advantages of subtractive manufacturing (superior surface finish and enhanced dimensional accuracies) by integrating a suite of complementary traditional processes into a base platform of additive manufacturing. The use of hybrid technology has grown in recent years given its capabilities on repairing metallic structures, producing parts with conformal cooling features, and manufacturing functionally graded products. These kinds of capabilities are of great interest to the medical implant, energy, automotive, maritime, and aerospace industry sectors, among many other fields. This work investigated the mechanical properties of stainless steel (SS) 316L as a function of different tool paths strategies using an integrated 5-axis CNC hybrid Mazak system with a laser hot wire deposition system (LHWDS). This study includes the evaluation of different printing parameters and their impact on the quality of the printed bead as well as the incorporation of a structure–property material relationship based on the mechanical performance of the manufactured coupons.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Hybrid Solar Heat Generation Modelling and Cases: Preprint

Renewable thermal energy systems (RTES) harness renewable energy sources to provide services for space heating and cooling, district heating, domestic hot water, and industrial process heat (IPH). The use of low-pressure steam generated by the combustion of fossil fuels is common today to provide process heat for industrial facilities. Solar IPH (SIPH) technologies could economically replace the steam or heat needs at many industrial sites by providing high-temperature pressurized hot water, a heat transfer fluid (HTF) such as synthetic-oil, or direct steam (Kurup and Turchi, 2015). RTES could be hybridized with technology options or combined with the existing heat supply (e.g. fuels), to give options for targeted IPH application and the reduction of fuel consumption. This work has tested hybrid system modelling approaches. Initial results show when a natural gas (NG) burner that feeds an IPH application of 300°C, has both air and NG streams pre-heated with a solar field/RTES exit temperature of 180°C (via an HTF), a 13% NG offset is possible. NG offsets reach up to 26%, when the RTES exit temperatures are at 300°C for a given annual capacity factor of 24%. This can be even higher with addition of thermal energy storage (TES).

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

Ultra-narrow-linewidth hybrid-integrated self-injection locked laser at 780 nm

Narrow-linewidth lasers are essential across a wide range of applications, including classical and quantum sensing, trapped ion systems, position/navigation/timing systems, optical clocks, and microwave frequency synthesizers. In the visible and near-visible spectrum, low-noise lasers are particularly important for laser trapping and cooling techniques, which are vital for trapped ion quantum computing, sensing, and atomic clocks. In this context, our work showcases a hybrid-integrated narrow-linewidth laser that operates at 780 nm, achieving a self-heterodyne linewidth of 105 Hz. To validate the experimental results, we performed a numerical analysis that combines insights from a many-body theory applied to the gain region with a travelling-wave model to capture the laser dynamics. Our investigation further delves into how the linewidth of the self-injection locked lasers is influenced by the parameters of micro-ring resonators, aiming to assess the potential for achieving Hz-level integrated laser linewidths at 780 nm. This work not only demonstrates the technical feasibility of Hz-level narrow-linewidth lasers but also lays the groundwork for future explorations in the field.

Prokoshin, Artem (ORCID:0009000699760238)↗