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

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At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Thermal Insulation for a High Temperature Molten Salt Storage Tank in a CSP Plant: Preprint

A ternary molten chloride has been suggested as a high temperature (550-720 °C) sensible heat storage medium for a two-tank system. An effective thermal insulation is proposed to provide an opportunity for the fabrication of both the hot and cold storage tanks from lower cost metals, e.g. A240-347H, by maintaining the tank wall below 500 °C. To achieve this, the hot storage tank mainly comprises of inner shell (11.4 cm of a refractory brick as liner (KX-99 ®), 30 cm of insulation brick) and outer metal shell, where 5 cm of frozen layer of PCM800 (NaCl), and 5 cm of ceramic wool fill the annular space between the shells. Another layer of ceramic wool was introduced at the outer side of the metal shell to keep the temperature lower than 60 °C. ANSYS Fluent was used for the numerical study of the cool down behavior of the system during idle period when tank is quarter-filled. The heat transfer modes were considered as radiation and natural convection heat transfer from the hot molten salt at 720 °C, conduction through the solid layers and convection heat transfer from the outer shell to the environment at 15 °C. The results showed that the proposed insulation system including a frozen layer of PCM800 maintains the temperature at the metal wall lower than 500 °C, and lower than 60 °C at the outer side of the tank. Apart from the insulation property of the frozen layer of PCM800, it absorbs any leak of hot molten salt, acting as a barrier between salt and the metal shell. The thermal performance analysis provide an insight into the benefits of the multilayer insulation.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2023

Direct Numerical Simulation of Transitional and Turbulent Flows Over Multi-Scale Surface Roughness—Part II: The Effect of Roughness on the Performance of a High-Pressure Turbine Blade

Abstract Turbine blades generally present surface roughness introduced in the manufacturing process or caused by in-service degradation, which can have a significant impact on aero-thermal performance. A better understanding of the fundamental physical mechanisms arising from the interaction between the roughness and the turbine flow at engine-relevant conditions can provide insights for the design of blades with improved efficiency and longer operational life. To this end, a high-fidelity numerical framework combining a well-validated solver for direct numerical simulation and a second-order accurate immersed boundary method is employed to predict roughness-induced aero-thermal effects on an LS89 high-pressure turbine (HPT) blade at engine-relevant conditions. Different amplitudes and distributions of surface roughness are investigated and a reference smooth-blade simulation under the same flow conditions is conducted for comparison. Roughness of increasing amplitude progressively shifts the blade suction side boundary layer transition upstream, producing larger values of the turbulent kinetic energy and higher total wake losses. The on-surface data-capturing capabilities of the numerical framework provide direct measurements of the heat flux and the skin friction coefficient, hence offering quantitative information between the surface topology and engineering-relevant performance parameters. This work may provide a benchmark for future numerical studies of turbomachinery flows with roughness.

Engineering↗
DOE OSTI2021

Thermal management of a high temperature sodium sulphur battery stack

The sodium sulfur battery is an advanced secondary battery with high potential for grid-level storage due to their high energy density, low cost of the reactants, and high open-circuit voltage. However, as the operating temperature of the battery is high (about 300 °C), effective thermal management is required to prevent thermal runaway under high current density operation. Here, to develop efficient thermal management strategies, a detailed, thermo-electrochemical, non-isothermal, distributed dynamic model of a sodium-sulfur battery stack is developed. Models of three thermal management strategies are developed and analyzed in this work: active cooling, passive cooling, and hybrid cooling. The active cooling strategy uses air as the cooling medium whereas, the passive cooling strategy uses a phase change material. In the hybrid cooling strategy, both active and passive cooling strategies are used. Due to the high operating temperature of the sodium sulfur batteries, the rejected heat can be utilized effectively and consequently a high variability in the heat rejection rate may not be acceptable. Performance of these strategies is analyzed under high current density operation by evaluating the variability in the cell temperature during charge/discharge cycles, temperature difference between the cells based on their locations, and variability in the heat rejection rate. The phase change-based hybrid thermal management strategy with an embedded controller maintained the temperature variation within ±/- 2.8 °C. Considering the tradeoff between the capital cost for PCM, fan power requirement, and variability in the heat rejection rate, the optimal quantity of the PCM and the maximum air velocity for the maximum current density of 260 mA/cm 2 (0.55 C-rate) were found be 0.74 g/Wh and 3 m/s, respectively.

25 ENERGY STORAGE↗
DOE OSTI2020

Predicting mesoscale spectral thermal conductivity using advanced deterministic phonon transport techniques

We present a review, demonstration and simulation of phonon transport for the purposes of predicting materials performance at the mesoscale. We focus primarily on the development and implementation of a unified methodology to enable predictive heat transport. We report on the current state of the art as it pertains to deterministic phonon transport methodologies, discussing various topics concerning phonons. In application, we focus on the Self-Adjoint Angular Flux (SAAF) formulation of the Boltzmann transport equation for phonons, and develop the spatial, angular, and material property discretization required to accurately simulate the predictive physics of heat transport in dielectrics. We discuss thermal interfacial resistance and present our formulation of the diffuse mismatch model for simulating phonon interactions at internal boundaries. We have recently developed a deterministic, spectral phonon transport method for predicting effective thermal conductivity ($\kappa_{\textrm{eff}}$), using Bose-Einstein source terms coupled through an average material temperature. In this method, we introduce a closure term to the phonon transport system which acts as a redistribution function for the total energy of the system, and serves as a guide for the amount of non-equilibrium behavior occurring in the system. This method predicts thermal conductivity and equilibrium temperature distributions in homogeneous and heterogeneous materials using data generated by ab initio density functional theory methods. We employ polarization, density of states and full dispersion spectra to resolve thermal conductivity with numerous angular and spatial discretizations. Our implementation utilizes a Richardson iteration on a modified version of the phonon scattering source. The equations associated with this method are solved via a modification of traditional source iteration. We compare the performance of source iteration applied to an existing uncoupled, traditional SAAF method to our new method and comment on the iterative performance of each. We observe ballistic and diffusive phonon scattering as acoustic thickness of the domain changes, and are able to make comparisons between the accuracy and efficiency of both methods.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Minimal warm inflation

Slow-roll inflation is a successful paradigm. However we find that even a small coupling of the inflaton to other light fields can dramatically alter the dynamics and predictions of inflation. As an example, the inflaton can generically have an axion-like coupling to gauge bosons. Even relatively small couplings will automatically induce a thermal bath during inflation. The thermal friction from this bath can easily be stronger than Hubble friction, significantly altering the usual predictions of any particular inflaton potential. Thermal effects suppress the tensor-to-scalar ratio r significantly, and predict unique non-gaussianities. This axion-like coupling provides a minimal model of warm inflation which avoids the usual problem of thermal backreaction on the inflaton potential. As a specific example, we find that hybrid inflation with this axion-like coupling can easily fit the current cosmological data.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Approximate bounds and temperature dependence of adiabatic connection integrands for the uniform electron gas

Thermal density functional theory is commonly used in simulations of warm dense matter, a highly energetic phase characterized by substantial thermal effects and by correlated electrons demanding quantum mechanical treatment. Methods that account for temperature dependence, such as Mermin–Kohn–Sham finite-temperature density functional theory and free energy density functional theory, are now employed with more regularity and available in many standard code packages. However, approximations from zero-temperature density functional theory are still often used in temperature-dependent simulations using thermally weighted electronic densities as an input to exchange–correlation functional approximations, a practice known to miss temperature-dependent effects in the exchange–correlation free energy of these systems. Here, in this work, the temperature-dependent adiabatic connection is demonstrated and analyzed using a well-known parameterization of the uniform electron gas free energy. Useful tools based on this formalism for analyzing and constraining approximations of the exchange–correlation at zero temperature are leveraged for the finite-temperature case. Inspired by the Lieb–Oxford inequality, which provides a lower bound for the ground-state exchange–correlation energy, bounds for the exchange–correlation at finite temperatures are approximated for various degrees of electronic correlation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Simulation toolkit for digital material characterization of large image-based microstructures

In this paper, an efficient image-based simulation toolkit for material characterization is presented, which is scalable to work from personal computers to workstations. The effective thermal conductivity, elasticity, and permeability are evaluated employing a computational homogenization framework based on the Finite Element Method (FEM). Two complementary open-source packages are presented: one developed in Python, which can convert digital images into voxel meshes (pyTomoviewer); the other developed in Julia, that can run numerical simulations to compute effective material properties (chpack). Also, a CUDA C version of chpack is provided (chfem_gpu). They were designed to deal with large multi-phase models, so strategies were devised to minimize their memory footprint, while avoiding a high toll on execution time. The voxel-based approach significantly simplifies the FEM meshes and allows efficient matrix-free implementations. In that sense, to handle large linear systems of equations, the element-by-element (EBE) technique is adopted, in conjunction with a low-memory implementation of the Preconditioned Conjugate Gradient (PCG) method. Finally, the code was thoroughly tested on an artificial geometry made of a square array of cylinders, for which analytical solutions exist, as well as on a real micro-tomographic reconstruction of FiberForm TM , a carbon preform commonly used in thermal protection systems.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Size Effects in the Thermal Conductivity of Amorphous Polymers

Manipulating thermal conductivity through nanoengineering is of critical importance to advance technologies, such as soft robotics, artificial skin, wearable electronics, batteries, thermal insulation, and thermoelectrics. Here, by examining amorphous polymers, including polystyrene, polypropylene, polyethylene, and ethylene vinyl alcohol, using molecular dynamics simulations, we find that the thermal conductivities of amorphous polymers can be reduced below their amorphous limit by size effects. Size-dependent thermal transport in amorphous materials is decomposed into crystalline, crystalline-to-amorphous, and amorphous regimes. In the amorphous regime, the mean free path of propagating heat carriers can range from tens of nanometers to more than 100 nm, contributing 16%–36% of the total thermal conductivity. A two-channel model that combines no size effect (i.e., difusons and locons) and size effect (i.e., propagons) is proposed to account for size-dependent thermal conductivity. We also find that the presence of charged molecules in polymers can significantly affect the thermal conductivity and its size effects due to electrostatic interactions. Overall, this work provides insights into the thermal conductivity of amorphous polymers that will have a broad impact on the nano- and chemical engineering of polymers for various energy-related applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A non-volatile thermal switch for building energy savings

Compared with traditional static insulation, a thermally switchable building envelope could reduce annual heating and cooling loads by intermittently coupling to the outside environment when beneficial. Here, we demonstrate a voltage-actuated, contact/non-contact thermal switch that meets the unique challenges of this application. The switch is non-volatile, consuming electricity only briefly while switching and none to hold steady state. The switch ratio is 12, the off state has a low effective thermal conductivity of 0.045 W m -1 K -1 , comparable to fiberglass insulation, and the performance is stable over 1,000 switching cycles. Numerical simulations using real-world climate data show that combining this thermal switch with a thermal storage layer in a building envelope can yield annual energy savings of 9%-55% (heating) and 17%-76% (air conditioning), depending on the climate zone. The greatest benefits are realized when the exterior temperature crosses well above and below the desired interior temperature within a single 24 h period.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Dispersive interactions between standard and Dirac materials and the role of dimensionality

The van der Waals (vdW) interaction plays a prominent role between neutral objects at separations where short ranged chemical forces are negligible. This type of dispersive coupling is determined by the interplay between geometry and response properties of the materials making up the objects. Here, we investigate the vdW interaction between 1D, 2D, and 3D standard and Dirac materials within the Random Phase Approximation, which takes into account collective excitations originating from the electronic Coulomb potential. A comprehensive understanding of characteristic functionalities and scaling laws are obtained for systems with parabolic energy dispersion (standard materials) and crossing linear bands (Dirac materials). By comparing the quantum mechanical and thermal limits the onset of thermal fluctuations in the vdW interaction is discussed showing that thermal effects are significantly pronounced at smaller scales in reduced dimensions.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Reagent-Triggered Isomerization of Fluxional Cluster Catalyst via Dynamic Coupling

Metallic cluster catalysts have many thermodynamically accessible isomers with diverse active sites and low reaction barriers, and lately a strong hypothesis emerged that the many catalyst states collectively drive the catalysis. Furthermore, it remained a hypothesis that catalyst isomerization is actually kinetically feasible under the current reaction conditions. Using high-temperature dynamics simulations and sampling, a range of orientations, and vibrational energy distributions, we probe how thermal effects and molecular events affect cluster catalyst dynamics. We show that even such a delicate affair as the dissociation or scattering of a methane molecule on the heavy and thus slow Pt 13 cluster triggers substantial isomerization of the catalyst, far beyond thermal at 700 K. A kinetic coupling between the methane activity and cluster catalyst dynamics is observed. In return, the thermal dynamics of the cluster affects the methane reaction and scattering probabilities. Hence, molecular events at the surfaces of fluxional cluster catalysts should facilitate the population of an ensemble of catalyst states under the current reaction conditions, with implications for available active sites, reaction mechanisms, and apparent rates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Two-stage reflective self-seeding scheme for high-repetition-rate X-ray free-electron lasers

X-ray free-electron lasers (XFELs) open a new era of X-ray based research by generating extremely intense X-ray flashes. To further improve the spectrum brightness, a self-seeding FEL scheme has been developed and demonstrated experimentally. As the next step, new-generation FELs with high repetition rates are being designed, built and commissioned around the world. A high repetition rate would significantly speed up the scientific research; however, alongside this improvement comes new challenges surrounding thermal management of the self-seeding monochromator. Here, a new configuration for self-seeding FELs is proposed, operated under a high repetition rate which can strongly suppress the thermal effects on the monochromator and provides a narrow-bandwidth FEL pulse. Three-dimension time-dependent simulations have been performed to demonstrate this idea. Finally, with this proposed configuration, high-repetition-rate XFEL facilities are able to generate narrow-bandwidth X-ray pulses without obvious thermal concern on the monochromators.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2022

Three-dimensional microstructural characterization of FBR MOX fuel and the contribution of microstructural features to the thermal conductivity of the fuel

Combination of microstructural characterization, property measurements, and phase field modeling is used to investigate fast breeder reactor (FBR) mixed oxide (MOX) fuel irradiated to burnup of 13.7% fissions per initial metal atom (FIMA). Here, the fuel was characterized at different radial locations, which revealed that grey phase can be present in the central region if it nucleates on five metal precipitates (FMPs). In addition, in the mid-radial region FMPs do not diffuse out of the region once formed and the size of Pd–Te precipitates is dictated by the porosity present in the region. Thermal conductivity measurements were conducted as a function of radial location and the microstructure of the fuel was correlated with the observed trend. Reconstructions of the 3D solid and gaseous fission product structures in different regions of the fuel were used to simulate the effective thermal conductivity (ETC) of the respective regions and determine which microstructural feature has the strongest impact on thermal conductivity. Based on conducted assessment, FMPs and Pd-Te precipitates improve local conductivity of central and mid-radial regions even in the presence of grey phase, but defects are primary contributor to the degradation of thermal conductivity on the periphery of the fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

Thermal nature of confining strings

We investigate the quantum statistical properties of the confining string connecting a static fermion-antifermion pair in the massive Schwinger model. By analyzing the reduced density matrix of the subsystem located in between the fermion and antifermion, we demonstrate that as the interfermion separation approaches the string-breaking distance, the overlap between the microscopic density matrix and an effective thermal density matrix exhibits a pronounced, narrow peak, approaching unity at the onset of string breaking. This behavior reveals that the confining flux tube evolves toward a genuinely thermal state as the separation between the charges grows, even in the absence of an external heat bath. In other words, one cannot tell whether a reduced state of the subsystem arises from a surrounding heat bath or from entanglement with the rest of the system. The entanglement spectrum near the critical string-breaking distance exhibits a rapid transition from the dominance of a single state describing the confining electric string towards a strongly entangled state containing virtual fermion-antifermion pairs. Our findings establish a quantitative link between confinement, entanglement, and emergent thermality, and suggest that string breaking corresponds to a microscopic thermalization transition within the flux tube.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Code Benchmark of the HTTF Pressurized Conduction Cooldown Test Using SAM

The High Temperature Test Facility (HTTF) at Oregon State University is an integral system test facility to simulate postulated reactor transients of prismatic high-temperature gas-cooled reactors(HTGRs). A series of test campaigns was launched, providing abundant test data that could be used to benchmark reactor system analysis codes like the System Analysis Module (SAM). In this study, a SAM model of the facility is developed based on the two-dimensional (2D) ring model approach. All components including the ceramic matrix, graphite heaters, helium coolant channels, core barrel, upcomer, pressure vessel, and reactor cavity cooling system are modeled as concentric cylindrical rings. The model is used to simulate one of the benchmark problems-Pressurized Conduction Cooldown (PCC)-within the scope of the Organisation for Economic Co-operation and Development Nuclear Energy Agency International HTTF Benchmark. The simulations consist of two parts. In the first part, operating and boundary conditions as well as thermophysical properties of materials are specified for the benchmark problem. In this work, results from the first part will be used in code-to-code comparison. In the second part, the SAM model is used to simulate Test PG-27, which is the first PCC test carried out in the HTTF, with only two of the ten heater banks activated. The results in the second part are used for code-to-data comparison. Because the helium coolant flow rate is not measured in this facility, it is estimated using the input power and inlet/outlet coolant temperatures. Additionally, radial heat flow in the ceramic blocks is complicated by hundreds of cylindrical coolant channels and heater rods embedded in them. As such, it is necessary to deduce an effective thermal conductivity for the ceramic to analyze the core thermal behavior. SAM predictions of the helium coolant and ceramic temperatures are compared with test data measured in three equivalent sectors. Overall, the SAM results agree reasonably well with test data within the variation of data among the three sectors, which demonstrates SAM's capability in capturing transient effects in HTGR using the simplified 2D ring model.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

Two-dimensional simulations of internal gravity waves in a $\mathrm{5M_⊙}$ zero-age-main-sequence model

Main-sequence intermediate-mass stars present a radiative envelope that supports internal gravity waves (IGWs). Excited at the boundary with the convective core, IGWs propagate towards the stellar surface and are suspected to impact physical processes such as rotation and chemical mixing. Using the fully compressible time-implicit code MUSIC, we study IGWs in two-dimensional simulations of a zero-age-main-sequence 5 solar mass star model up to 91 percent of the stellar radius with different luminosity and radiative diffusivity enhancements. Our results show that low-frequency waves excited by core convection are strongly impacted by radiative effects as they propagate. This impact depends on the radial profile of radiative diffusivity which increases by almost 5 orders of magnitude between the centre of the star and the top of the simulation domain. In the upper layers of the simulation domain, we observe an increase of the temperature. Our study suggests that this is due to heat added in these layers by IGWs damped by radiative diffusion. We show that non-linear effects linked to large amplitude IGWs may be relevant just above the convective core. Both these effects are intensified by the artificial enhancement of the luminosity and radiative diffusivity, with enhancement factors up to 10 4 times the realistic values. Our results also highlight that direct comparison between numerical simulations with enhanced luminosity and observations must be made with caution. Finally, our work suggests that thermal effects linked to the damping of IGWs could have a non-negligible impact on stellar structure.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

CFD modeling of crystallization fouling with CO 2 desorption incorporated for a falling-film evaporator in thermal desalination

Seawater flowing around horizontal tubes in falling-film evaporators is a common configuration for thermal desalination. Heat is transferred from in-tube steam condensation to the shell-side seawater by conduction through the tube wall and scaling layer, and conduction and convection to the evaporating liquid film. CO 2 is simultaneously released from seawater and mixed with the produced vapor. Fouling coupled with CO 2 desorption has deleterious impacts on both evaporation and condensation. The evaluation of spatiotemporal dependent crystallization fouling and CO 2 desorption is vital to selecting optimal operating conditions. Here, in this work, a CO 2 desorption model is integrated into CFD modeling for predictions of coupled heat and mass transfer, to understand and predict scale formation and CO 2 desorption with local and transient profiles of temperature, carbonate species concentrations, pH, and total alkalinity. The porosity of the scale layer is experimentally determined as 67.7% and invoked in the calculation of effective thermal conductivity. The simulation results reveal that high steam temperatures increase seawater total alkalinity and accelerate scale formation. The scale thickness on the bottom tube reaches 0.30 μm and 5.24 μm for steam temperatures of 60 °C and 80 °C, respectively. High salinity leads to a large CO 2 desorption rates. The CO 2 desorption rate increases 43% when the seawater salinity increases from 35 to 55 g/kg. The effects of operating conditions on carbonate speciation and pH have been compared and analyzed. This model can serve as a comprehensive tool for the design of thermal desalination systems and optimal operation.

42 ENGINEERING↗
DOE OSTI2025

2024 Stor4Build Annual Meeting: Exploring Challenges and Opportunities in Thermal Energy Storage for Buildings

In late August 2024, Stor4Build brought nearly 80 stakeholders from the thermal energy storage industry to Oak Ridge National Laboratory (ORNL), including researchers, startups, electric utilities, nonprofits, implementers, state energy efficiency offices, and original equipment manufacturers. During the two-day Stor4Build Annual Meeting, participants engaged in vital discussions about the current challenges and opportunities for scaling thermal energy storage solutions in buildings. The event featured panel discussions led by leading technology experts and industry practitioners, as well as updates on Stor4Build–funded projects from national laboratories, highlighting advancements in the thermal energy storage field crucial to achieving the consortium’s mission.

25 ENERGY STORAGE↗