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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 1,369 records · Page 76
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Investigation of thermal hydraulic behavior of the High Temperature Test Facility's lower plenum via large eddy simulation

A high-fidelity computational fluid dynamics (CFD) analysis was performed using the Large Eddy Simulation (LES) model for the lower plenum of the High–Temperature Test Facility (HTTF), a ¼ scale test facility of the modular high temperature gas-cooled reactor (MHTGR) managed by Oregon State University. In most next–generation nuclear reactors, thermal stress due to thermal striping is one of the risks to be curiously considered. This is also true for HTGRs, especially since the exhaust helium gas temperature is high. In order to evaluate these risks and performance, organizations in the United States led by the OECD NEA are conducting a thermal hydraulic code benchmark for HTGR, and the test facility used for this benchmark is HTTF. HTTF can perform experiments in both normal and accident situations and provide high-quality experimental data. However, it is difficult to provide sufficient data for benchmarking through experiments, and there is a problem with the reliability of CFD analysis results based on Reynolds–averaged Navier–Stokes to analyze thermal hydraulic behavior without verification. To solve this problem, high-fidelity 3-D CFD analysis was performed using the LES model for HTTF. It was also verified that the LES model can properly simulate this jet mixing phenomenon via a unit cell test that provides experimental information. As a result of CFD analysis, the lower the dependency of the sub-grid scale model, the closer to the actual analysis result. In the case of unit cell test CFD analysis and HTTF CFD analysis, the volume-averaged sub-grid scale model dependency was calculated to be 13.0% and 9.16%, respectively. As a result of HTTF analysis, quantitative data of the fluid inside the HTTF lower plenum was provided in this paper. As a result of qualitative analysis, the temperature was highest at the center of the lower plenum, while the temperature fluctuation was highest near the edge of the lower plenum wall. The power spectral density of temperature was analyzed via fast Fourier transform (FFT) for specific points on the center and side of the lower plenum. FFT results did not reveal specific frequency-dominant temperature fluctuations in the center part. It was confirmed that the temperature power spectral density (PSD) at the top increased from the center to the wake. The vortex was visualized using the well-known scalar Q-criterion, and as a result, the closer to the outlet duct, the greater the influence of the mainstream, so that the inflow jet vortex was dissipated and mixed at the top of the lower plenum. Additionally, FFT analysis was performed on the support structure near the corner of the lower plenum with large temperature fluctuations, and as a result, it was confirmed that the temperature fluctuation of the flow did not have a significant effect near the corner wall. In addition, the vortices generated from the lower plenum to the outlet duct were identified in this paper. It is considered that the quantitative and qualitative results presented in this paper will serve as reference data for the benchmark.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Magneto-structural studies of an unusual [Mn III Mn II Gd III (OR) 4 ] 4– partial cubane from 2,2'-bis- p- t Bu-calix[4]arene

Reaction of 2,2'-bis- p - t Bu-calix[4]arene (H 8 L) with MnCl 2 ·4H 2 O, GdCl 3 ·6H 2 O and 2,6-pyridinedimethanol (H 2 pdm) affords [Mn III Mn II Gd III (H 3 L)(pdmH)(pdm)(MeOH) 2 (dmf)]·3MeCN·dmf ( 3 ·3MeCN·dmf) upon vapour diffusion of MeCN into the basic dmf/MeOH mother liquor. 3 crystallises in the tetragonal space group P 4 1 2 1 2 with the asymmetric unit comprising the entire cluster. The highly unusual core contains a triangular arrangement of Mn III Mn II Gd III ions housed within a [Mn III Mn II Gd III (OR) 4 ] 4– partial cubane. Magnetic susceptibility and magnetisation data reveal best fit parameters J Mn(II)–Mn(III) = +0.415 cm –1 , J Mn(III)–Gd(III) = +0.221 cm –1 , J Mn(II)–Gd(III) = –0.258 cm –1 and D Mn(III) = –4.139 cm –1 . Theoretically derived magnetic exchange interactions, anisotropy parameters, and magneto-structural correlations for 3 are in excellent agreement with the experimental data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Excited electronic states of Na 2 and K 2 : The potential for long-lived “reservoir” states leading to collision induced population inversions

Potential energy curves (PECs) for the spin-free (ΛS) and spin–orbit (Ω) states associated with the four lowest-lying dissociation channels of Na 2 and K 2 were calculated at the SA-CASSCF/SO-CASPT2/aug-cc-pwCVQZ-DK level. The PECs of Na 2 were consistent with the experimental data and with the FS-CCSD (2,0) calculations, reproducing the double-well and the “shelf” character for some of the potentials of the excited states. For K 2 , the PECs behaved in a similar way and the spectroscopic parameters for the ground and the excited states are in good agreement with the available experimental values. The dissociation energy of K 2 was predicted to be D e = 4454 cm −1 , within an agreement of 5 cm −1 with the experiments. For Na 2 , D e = 5789 cm −1 compared to the experimental value of 6022 cm −1 . The inclusion of spin–orbit coupling effects resulted in avoided crossings, which affect the PECs. Spin–orbit changes the predicted curves for some excited Ω states arising from ΛS states that overlap each other, affecting their associated vibrational frequencies and bond distances. Here, the current studies of the low-lying states in K 2 reveal a similar structure to those of Na 2 , which suggests the accessibility of long-lived energy storing reservoir states and possible population inversions in K 2 following prior experimental work on the reaction of halogen atoms with Na 3 to produce excited states of Na 2 .

Ab-initio methods↗
DOE OSTI2022

Elucidation of the physical factors that control activated transport of penetrants in chemically complex glass-forming liquids

Understanding the activated transport of penetrant or tracer atoms and molecules in condensed phases is a challenging problem in chemistry, materials science, physics, and biophysics. Many angstrom- and nanometer-scale features enter due to the highly variable shape, size, interaction, and conformational flexibility of the penetrant and matrix species, leading to a dramatic diversity of penetrant dynamics. Based on a minimalist model of a spherical penetrant in equilibrated dense matrices of hard spheres, a recent microscopic theory that relates hopping transport to local structure has predicted a novel correlation between penetrant diffusivity and the matrix thermodynamic dimensionless compressibility, S 0 ( T ) (which also quantifies the amplitude of long wavelength density fluctuations), as a consequence of a fundamental statistical mechanical relationship between structure and thermodynamics. Moreover, the penetrant activation barrier is predicted to have a factorized/multiplicative form, scaling as the product of an inverse power law of S 0 ( T ) and a linear/logarithmic function of the penetrant-to-matrix size ratio. This implies an enormous reduction in chemical complexity that is verified based solely on experimental data for diverse classes of chemically complex penetrants dissolved in molecular and polymeric liquids over a wide range of temperatures down to the kinetic glass transition. The predicted corollary that the penetrant diffusion constant decreases exponentially with inverse temperature raised to an exponent determined solely by how S 0 ( T ) decreases with cooling is also verified experimentally. Our findings are relevant to fundamental questions in glassy dynamics, self-averaging of angstrom-scale chemical features, and applications such as membrane separations, barrier coatings, drug delivery, and self-healing.

Science & Technology - Other Topics↗
DOE OSTI2022

Toward Robust Autotuning of Noisy Quantum dot Devices

The current autotuning approaches for quantum dot (QD) devices, while showing some success, lack an assessment of data reliability. This leads to unexpected failures when noisy or otherwise low-quality data is processed by an autonomous system. In this work, we propose a framework for robust autotuning of QD devices that combines a machine learning (ML) state classifier with a data quality control module. The data quality control module acts as a “gatekeeper” system, ensuring that only reliable data are processed by the state classifier. Lower data quality results in either device recalibration or termination. To train both ML systems, we enhance the QD simulation by incorporating synthetic noise typical of QD experiments. We confirm that the inclusion of synthetic noise in the training of the state classifier significantly improves the performance, resulting in an accuracy of 95.0(9)% when tested on experimental data. We then validate the functionality of the data quality control module by showing that the state classifier performance deteriorates with decreasing data quality, as expected. Our results establish a robust and flexible ML framework for autonomous tuning of noisy QD devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

In situ temperature profile measurements with high-energy X-rays as a probe of optical floating zone crystal growth environment

The ability of optical floating zone (OFZ) furnaces to rapidly produce large single crystals of complex emerging materials has had a transformative effect on many scientific fields that require samples of this type. However, the crystal growth process within the OFZ furnace is not well understood owing to the challenges involved in monitoring the high-temperature crystal growth process. Novel beamline-compatible optical furnaces that approximate the inhomogeneous growth environment within an OFZ furnace have been fabricated and tested in high-energy synchrotron beamlines. In this paper, it is demonstrated that temperature profiles can be effectively extracted from powder diffraction data collected on polycrystalline ceramic rods heated at their tip. Furthermore, these measured temperature profiles can be accurately reproduced using a heat-transfer model that accounts for solid-state thermal conduction, partial sample lamp power absorption, convective air cooling and radiative cooling, allowing key thermal parameters such as thermal conductivity to be extracted from experimental data.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Fitting $\overline{ν}$ for Minor Pu Isotopes

After successful fitting of prompt ν for 235 U, 238 U, and 239 Pu(n,f) using CGMF, we have moved on to the minor plutonium isotopes. Minor isotopes pose a greater challenge both because there is less data available and we do not, by default, have parametrizations in CGMF already. Initially, we had planned to mitigate these challenges—and provide consistency within CGMF—by taking a stepped approach to the optimization. Continuing from the 239 Pu work, we would then fit 241Pu(n,f) $\overline{ν}$, where there is also a number of experimental measurements, keeping consistency between the parameters that are included in the calculation for 239 Pu and 241 Pu. With these parametrizations settled, we could consistently optimize 240 Pu(n,f) $\overline{ν}$. Following that step, we would move on to 242 Pu(n,f) (and increasing neutron number) and 238 Pu(n,f) (and decreasing neutron number). By including the fissioning systems in this manner, we should be able to minimize the unknown parameters in CGMF. We were also able to develop systematics for the CGMF input parameters along the Pu isotopic chain. However, after studies in the beginning of FY23, where we found reasonable agreement between CGMF and experimental prompt neutron multiplicities for 238−242 Pu, using a compound mass dependent parametrization from, and from discussions with I. Stetcu and P. Talou, we instead performed the evaluation of all five isotopes simultaneously. For all parameters in CGMF, they are either the same for each compound nucleus, or have a dependence on the compound mass. The details of these updates are given in. This report builds upon those details. In this short report, we first give an example of how we have updated CGMF to include 240 Pu(n,f) and 242 Pu(n,f), keeping consistency with the current 239 Pu and 241 Pu calculations, but without rigorous optimization (Sec. 2). Then, we will show in Section 3 what experimental data exist for the various isotopes to provide some insight into why 241 Pu and 239 Pu are used as anchor points. The evaluation is detailed in Section 4, and the comparison between CGMF calculations using the evaluated parameters and other prompt observables besides average neutron multiplicity are discussed in Section 2.2. Finally, we present conclusions and future work in Section 5.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2020

Dynamic System Scaling Applied to Zr-4 Cladding under RIA Conditions

The research and development lifecycle for new fuel designs currently has an ideal 20-25 year timeline. Efforts are currrently underway to accelerate fuel design and development using high performance fuel modeling codes and reduced scale experiments with new instrumentation techniques. However current tools available require a full scale prototype to be designed and tested for fuel qualification. The thermal-hydraulics community has leveraged scaling methodologies to use reduced scale integral effect test facilities (Westinghouse AP600/1000, NuScale Power Module) in lieu of building full scale prototypes for reactor design certification. Dynamic System Scaling (DSS) is a recent development to scaling methodologies that enable the tracking and quantification of dynamic scaling distortions experienced throughout a transient. Recent TREAT experiments performed reactivity initiated accident (RIA) pulses on UO2 fuel rodlets in Zr-4 cladding and were accompanied by BISON predictions for the cladding temperature. DSS is applied to pyrometer data of outer cladding temperatures and two BISON predictions after peak cladding temperature has been reached. One BISON case uses a constant gap conductance value between the fuel and cladding and the other using a conventional gap conductance model. Results from the DSS analysis show that there is good agreement between both BISON predictions and the experimental data and that there is not a significant distortion seen between using either gap conductance model.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Machine Learning-based Prediction of Departure from Nucleate Boiling Power for the PSBT Benchmark

Machine Learning (ML) has seen an exponential growth in its applications due to its advanced data driven prediction capabilities. The study presents a data-driven approach as a preliminary attempt to predict the power at which departure from nucleate boiling (DNB) occurs in pressurized water reactors (PWRs) by constructing an advanced ML algorithm that takes outlet pressure, inlet temperature and inlet mass flux as the input features. DNB is a critical heat flux (CHF) phenomenon seen in PWRs. The experimental data from the PWR subchannel and bundle tests (PSBT) benchmark is first used to train an artificial neural network (ANN) to predict the DNB power, which produces a root mean square error (RMSE) of 6.89 kW/m when tested on a blind subset of the PSBT data. Since the PSBT dataset is relatively small to train an accurate ANN, a data augmentation methodology based on generative adversarial networks (GANs) is used to expand the training dataset. By assuming that the real data follows a certain distribution, GANs try to learn that underlying distribution to generate similar synthetic data to augment the database and to improve the predictive capabilities of the ANN. The data generated from GANs are validated using 1-nearest neighbor and kernel maximum mean discrepancy. To further ensure data from GAN is similar to PSBT, the data is tested and filtered out using the sub-channel thermal-hydraulic code CTF. The results indicate that with the addition of 120 data points from GAN the RMSE reduces to 4.84 kW/m showing promising results for future developments.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

Machine learning-enhanced hybrid modeling approach for better identification of a building thermal network model and improved prediction

The gray-box modeling approach, which uses a semi-physical thermal network model, has been widely used in building prediction applications, such as model predictive control (MPC). However, unmeasured disturbances, such as occupants, lighting, and in/exfiltration loads, make it challenging to apply this approach to practical buildings. In this word, we propose a hybrid modeling approach that integrates the gray-box model with a model for unmeasured disturbance. After reviewing several system identification approaches, we systematically designed the unmeasured disturbance model with a model selection process based on statistical tests to make it robust. We generated data based on the building model calibrated by real operational data and then trained the hybrid model for two different weather conditions. The hybrid model approach demonstrates an RMSE reduction of approximately 0.2–0.9 °C and 0.3–2 °C on 1-day ahead temperature prediction compared to the Conventional approach for mild (Berkeley, CA) and cold (Chicago, IL) climates, respectively. In addition, this approach was applied to experimental data obtained from the laboratory building to be used for the MPC application, showing superior prediction performances.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

MOOSE-based Tritium Migration Analysis Program, Version 8 (TMAP8) for advanced open-source tritium transport and fuel cycle modeling

Tritium management is critical for the safety, sustainability, and economics of fusion energy systems, and advanced and reliable modeling tools help accelerate the development of tritium technologies. This paper presents the Tritium Migration Analysis Program, Version 8 (TMAP8), an open-source, MOOSE-based application developed to provide state-of-the-art tritium transport and fuel cycle modeling capabilities. TMAP8 aims to expand the capabilities of previous versions (i.e., TMAP4 and TMAP7) by leveraging modern computational techniques, ensuring high software quality assurance standards (key to building trust), and enabling multispecies, multiscale, and multiphysics simulations for integrated tritium transport modeling in complex geometries. This paper outlines TMAP8’s scope and rigorous development practices, emphasizing its transparency, accessibility, modularity, and reliability. We present the current suite of verification and validation cases based on those from TMAP4, demonstrating TMAP8’s accuracy and reliability against analytical solutions and experimental data. Additionally, the paper showcases TMAP8’s integrated fuel cycle modeling capabilities, highlighting its applicability at various scales and levels. The TMAP8 code and documentation are openly available, promoting collaborative development and widespread adoption within the fusion community. Future work will soon expand TMAP8’s verification and validation suite to include those from TMAP7 and other recent experimental studies for validation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Multiscale, mechanistic modeling of irradiation-enhanced silver diffusion in TRISO particles

Tristructural isotropic (TRISO) particles are under consideration for use in several proposed advanced nuclear reactor concepts. The silicon carbide (SiC) layer in TRISO acts as a barrier to prevent the release of the fission products. However, despite remarkable retention, silver (Ag) release has been observed from intact particles, which requires investigation since the Ag isotope ( 110m Ag) has a long half-life. Previous work focused on developing a multiscale, mechanistic model for Ag diffusion accounting for temperature and microstructure effect and has been successfully validated. In this work, we expand the previous model to account for irradiation-enhanced Ag diffusivity in SiC and improve its accuracy over a wider grain size and temperature ranges relevant for advanced reactor conditions. A temperature, grain size, and flux dependent diffusivity is therefore derived using the mesoscale code MARMOT and implemented in the fuel performance code BISON. The irradiation-enhanced Ag diffusivity in SiC is compared against experimental data and validated using BISON against Ag release measurements from the Advanced Gas Reactor Fuel Development and Qualification Program (AGR-1 and AGR-2). Herein, we quantify the impact of SiC grain size, irradiation, and temperature on Ag release. In agreement with previous studies, we find accounting for SiC grain size improves agreement between BISON predictions and experimental observations for most cases. In conclusion, we also find that accounting for irradiation improves agreement for cases where Ag release was underestimated, but the impact was less significant than accounting for microstructure.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

In-beam γ-ray spectroscopy of 32 Mg via direct reactions

Background: The nucleus 32 Mg (N=20 and Z=12) plays a central role in the so-called “island of inversion,” where in the ground states sd-shell neutrons are promoted to the fp-shell orbitals across the shell gap, resulting in the disappearance of the canonical neutron magic number N=20. Purpose: The primary goals of this work are to extend the level scheme of 32Mg, provide spin-parity assignments to excited states, and discuss the microscopic structure of each state through comparisons with theoretical calculations. Method: In-beam γ-ray spectroscopy of 32 Mg was performed using two direct-reaction probes: one-neutron (two-proton) knockout reactions on 33 Mg ( 34 Si). Final-state exclusive cross sections and parallel momentum distributions were extracted from the experimental data and compared with eikonal-based reaction model calculations combined with shell-model overlap functions. Results: Owing to the remarkable selectivity of the one-neutron and two-proton knockout reactions, a significantly updated level scheme for 32 Mg, which exhibits negative-parity intruder and positive-parity normal states, was constructed. The experimental results were confronted with four different nuclear structure models. Conclusions: In some of these models, different aspects of 32 Mg and the transition into the island of inversion are well described. However, unexplained discrepancies remain, and, even with the help of these state-of-the-art theoretical approaches, the structure of this key nucleus is not yet fully captured.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Spectroscopic quadrupole moments in 124 $\mathrm{Xe}$

The Xe isotopic chain with four valence protons above the Z=50 shell closure is an ideal laboratory for the study of the evolution of nuclear deformation. At the N=82 shell closure, 136 Xe presents all characteristics of a doubly closed shell nucleus with a spherical shape. In the very neutron-deficient isotopes close to N=50, the α-decay chain of Xe was investigated to probe the radioactive decay properties near the drip-line and the magicity of 100 Sn. Additionally, the Xe isotopes present higher order symmetries in the nuclear deformation such as the octupole degree of freedom near N=60 and N=90 or O(6) symmetry in stable isotopes. The relevance of the O(6) symmetry has been investigated by measuring the spectroscopic quadrupole moment of the first excited states in 124 Xe. In the O(6) symmetry limit, the spectroscopic quadrupole moment of collective states is expected to be null. A stable 124 Xe beam with energies of 4.03A MeV and 4.11 A MeV was used to bombard a nat W target at the GANIL facility. Excited states were populated via the safe Coulomb excitation reaction. The collision of the heavy ions with a large Z at low energy make this reaction sensitive to the diagonal E2 matrix element of the excited states. The recoils were detected in the VAMOS++ magnetic spectrometer and the γ rays in the AGATA tracking array. The least squares fitting code gosia was used for the analysis to extract both E2 and M1 transitional and E2 diagonal matrix elements. The rotational ground state band was populated up to the 8$^{+}_{1}$ state as well as the 2$^{+}_{2}$ and 4$^{+}_{2}$ states. Using high precision spectroscopic data to constrain the gosia fit, the spectroscopic quadrupole moments of the 2$^{+}_{1}$, 4$^{+}_{1}$, and 6$^{+}_{1}$ states were determined for the first time. The spectroscopic quadrupole moments were found to be negative, large, and constant in the ground state band underlining the prolate axially deformed ground state band of 124 Xe. Here, the present experimental data confirm that the O(6) symmetry is substantially broken in 124 Xe .

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Computationally Guided and Experimentally Validated Design of Custom Chelators for Critical Mineral Recovery

Selective, high throughput separation of target critical metals from complex environments such as fly ash leachates and mining process streams presents a significant challenge for economical production. Custom chelators and sorbents are an attractive technology for selective metal extraction, however it can be difficult to predict their performance, and significant experimental efforts are often required to develop chelating technologies. Here, we present a computational strategy focused on modelling chelator-metal binding interactions and benchmark these results versus experimental data. A computational pipeline combining forcefield, semiempirical, and meta-GGA methods with a thermodynamic framework optimized for error cancellation has been developed to predict binding energies of chelator complexes towards critical mineral recovery applications. This approach, originally validated on [2.2.2] cryptates binding mono- and divalent cations, demonstrated robust predictive capabilities with an R2 of 0.850 against experimental aqueous binding energies. The workflow includes metadynamics for exploring high-dimensional potential energy surfaces and a cluster-continuum model for accurate yet computationally efficient solvation modeling. Error cancellation between solvation energies of free and chelator-coordinated ions enables faster convergence, even with finite cluster sizes. Initial studies on the cryptates revealed consistent metal-ligand coordination patterns, with systematic variations influenced by ion size and charge, highlighting key structural features linked to binding selectivity. Further studies of a proprietary chelator have resulted in identification of previously unreported selectivity towards economically significant metals, which in-house experiments have confirmed, demonstrating the feasibility of this approach. By applying this methodology to new chelators targeting critical minerals such as lithium, cobalt, nickel and other strategic metals, we aim to accelerate the discovery of next-generation chelators for efficient recovery, recycling, and separation processes. This computational framework serves as the backbone of a high-throughput design pipeline tailored for sustainable resource utilization and may be applied to a wide range of systems to meet experimental needs.

computational materials↗
DOE OSTI2025

Avenues for a number density interpretation of dihadron fragmentation functions

In this letter, we reassess the underlying physics of the number sum rule for dihadron fragmentation functions. We will argue that, currently, there are no settled constraints on what constitutes a valid number density interpretation for multihadron fragmentation functions. Imposing overly restrictive criteria might lead to misinterpretating the data. Most importantly, and on the basis of phenomenological analyses, the slightly varying definitions used in previous work are not excluded from possessing legitimate number density interpretations (up to the usual issues with ultraviolet divergences and renormalization), so long as they are paired with appropriate factorization theorems. We advocate for further theoretical analyses to be challenged with experimental data, available at JLab or at the future EIC.

First principle↗
DOE OSTI2024

Capillary-Enhanced Two-Phase Micro-Cooler Using Copper-Inverse-Opal Wick with Silicon Microchannel Manifold for High-Heat-Flux Cooling Application

In this work, we demonstrate a two-phase capillary-fed boiling micro-cooler that consists of a ~ 25-..mu..m-thick copper inverse opal (CIO) porous wicking structure for high-heat-flux boiling and a silicon 3D-manifold for distributed liquid delivery and vapor extraction across a 0.5 cm x 0.5 cm heated area. At low inlet water mass flow rates of 1.5 to 1.9 g(min)-1, the micro-cooler displays nearly two-phase boiling with exit vapor quality ~ 1 and a high critical heat flux (CHF) of 253 to 320 W cm-2 with low superheat of ~ 10 degrees C resulting in a thermal resistance of boiling ~ 0.025 cm2 degrees C W-1 or heat transfer coefficient of 0.4 MW m-2 degrees C-1. For higher flow rates of 5, 10, and 15 g(min)-1, the micro-cooler exhibits a hybrid single-phase and two-phase cooling regime where the contribution of the sensible heat (single-phase) cooling is linearly added to that of the two-phase cooling. For the highest flow rate of 15 g(min)-1, the CHF is increased to ~ 500 W cm-2 resulting in an overall thermal resistance of ~ 0.18 cm2 degrees C W-1. However, the two-phase heat transfer effectiveness, which estimates the utilization level of the inlet mass flow rate for two-phase boiling, is reduced to ~ 0.11. To achieve the best cooling system performances, the micro-cooler must operate entirely within the two-phase boiling regime (exit vapor quality or two-phase heat transfer effectiveness ~ 1). Ideally, the "coolant" should be delivered near its saturation temperature (~ 100 degrees C for water), which provides significant advantages for the energy-efficient operation of data centers and power electronics. We present detailed analysis with Infrared and high speed camera images at various inlet flow rates and heat fluxes to understand complex heat transfer in the micro-cooler. Furthermore, a conjugate thermofluidic simulation model, which incorporates the physics of capillary-fed boiling in a porous copper layer, agrees well with the experimental data.

capillary-enhanced boiling↗
DOE OSTI2021

Engineering Thermal Transport across Layered Graphene–MoS 2 Superlattices

Layering two-dimensional van der Waals materials provides a high degree of control over atomic placement, which could enable tailoring of vibrational spectra and heat flow at the sub-nanometer scale. In this work, using spatially resolved ultrafast thermoreflectance and spectroscopy, we uncover the design rules governing cross-plane heat transport in superlattices assembled from monolayers of graphene (G) and MoS 2 (M). Using a combinatorial experimental approach, we probe nine different stacking sequences, G, GG, MG, GGG, GMG, GGMG, GMGG, GMMG, and GMGMG, and identify the effects of vibrational mismatch, interlayer adhesion, and junction asymmetry on thermal transport. Pure G sequences display evidence of quasi-ballistic transport, whereas adding even a single M layer strongly disrupts heat conduction. The experimental data are described well by molecular dynamics simulations, which include thermal expansion, accounting for the effect of finite temperature on the interlayer spacing. The simulations show that an increase of ~2.4% in the layer separation of GMGMG, relative to its value at 300 K, can lead to a doubling of the thermal resistance. Using these design rules, we experimentally demonstrate a five-layer GMGMG superlattice “thermal metamaterial” with an ultralow effective cross-plane thermal conductivity comparable to that of air.

2D materials↗