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At least 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Physics-constrained, low-dimensional models for magnetohydrodynamics: First-principles and data-driven approaches

Plasmas are highly nonlinear and multiscale, motivating a hierarchy of models to understand and describe their behavior. However, there is a scarcity of plasma models of lower fidelity than magnetohydrodynamics (MHD), although these reduced models hold promise for understanding key physical mechanisms, efficient computation, and real-time optimization and control. Galerkin models, obtained by projection of the MHD equations onto a truncated modal basis, and data-driven models, obtained by modern machine learning and system identification, can furnish this gap in the lower levels of the model hierarchy. This work develops a reduced-order modeling framework for compressible plasmas, leveraging decades of progress in projection-based and data-driven modeling of fluids. We begin by formalizing projection-based model reduction for nonlinear MHD systems. To avoid separate modal decompositions for the magnetic, velocity, and pressure fields, we introduce an energy inner product to synthesize all of the fields into a dimensionally consistent, reduced-order basis. Next, we obtain an analytic model by Galerkin projection of the Hall-MHD equations onto these modes. We illustrate how global conservation laws constrain the model parameters, revealing symmetries that can be enforced in data-driven models, directly connecting these models to the underlying physics. We demonstrate the effectiveness of this approach on data from high-fidelity numerical simulations of a three-dimensional spheromak experiment. Finally, this manuscript builds a bridge to the extensive Galerkin literature in fluid mechanics and facilitates future principled development of projection-based and data-driven models for plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Parallel-in-Time Solution of Scalar Nonlinear Conservation Laws

Here, we consider the parallel-in-time solution of scalar nonlinear conservation laws in one spatial dimension. The equations are discretized in space with a conservative finite-volume method using weighted essentially nonoscillatory (WENO) reconstructions, and in time with high-order explicit Runge–Kutta methods. The solution of the global, discretized space-time problem is sought via a nonlinear iteration that uses a novel linearization strategy in cases of nondifferentiable equations. Under certain choices of discretization and algorithmic parameters, the nonlinear iteration coincides with Newton’s method, although, more generally, it is a preconditioned residual correction scheme. At each nonlinear iteration, the linearized problem takes the form of a certain discretization of a linear conservation law over the space-time domain in question. An approximate parallel-in-time solution of the linearized problem is computed with a single multigrid reduction-in-time (MGRIT) iteration; however, any other effective parallel-in-time method could be used in its place. The MGRIT iteration employs a novel coarse-grid operator that is a modified conservative semi-Lagrangian discretization and generalizes those we have developed previously for nonconservative scalar linear hyperbolic problems. Numerical tests are performed for the inviscid Burgers and Buckley–Leverett equations. For many test problems, the solver converges in just a handful of iterations with a convergence rate independent of mesh resolution, including problems with (interacting) shocks and rarefactions.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

ACCRUE—An Integral Index for Measuring Experimental Relevance in Support of Neutronic Model Validation

A key challenge for the introduction of any design changes, e.g., advanced fuel concepts, first-of-a-kind nuclear reactor designs, etc., is the cost of the associated experiments, which are required by law to validate the use of computer models for the various stages, starting from conceptual design, to deployment, licensing, operation, and safety. To achieve that, a criterion is needed to decide on whether a given experiment, past or planned, is relevant to the application of interest. This allows the analyst to select the best experiments for the given application leading to the highest measures of confidence for the computer model predictions. The state-of-the-art methods rely on the concept of similarity or representativity, which is a linear Gaussian-based inner-product metric measuring the angle—as weighted by a prior model parameters covariance matrix—between two gradients, one representing the application and the other a single validation experiment. This manuscript emphasizes the concept of experimental relevance which extends the basic similarity index to account for the value accrued from past experiments and the associated experimental uncertainties, both currently missing from the extant similarity methods. Accounting for multiple experiments is key to the overall experimental cost reduction by prescreening for redundant information from multiple equally-relevant experiments as measured by the basic similarity index. Accounting for experimental uncertainties is also important as it allows one to select between two different experimental setups, thus providing for a quantitative basis for sensor selection and optimization. The proposed metric is denoted by ACCRUE, short for Accumulative Correlation Coefficient for Relevance of Uncertainties in Experimental validation. Using a number of criticality experiments for highly enriched fast metal systems and low enriched thermal compound systems with accident tolerant fuel concept, the manuscript will compare the performance of the ACCRUE and basic similarity indices for prioritizing the relevance of a group of experiments to the given application.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Wire-coil insert optimization for high-heat-load/flux synchrotron components

Many synchrotron components require high levels of internal-flow, forced-convection heat transfer to minimize surface temperatures, thermal gradients, and thermally induced stress on high-power beam-interacting surfaces. Wire-coil inserts, physically similar to a common spring, are mechanically fitted inside of component cooling passages to optimize heat transfer performance. They are routinely used in Advanced Photon Source (APS) front end and beamline high-heat-load/flux components to significantly enhance convection heat transfer-up to 400% compared to plain open passages. This has the additional benefit of greatly reducing coolant flow requirements for these components. Using several cooling passage sizes, five different wire sizes, and a range of pitch values, an experimental investigation conducted at the APS has determined the average heat transfer coefficient and resulting pressure loss as a function of water flow rate for 65 different wire-coil inserts. Data from this study have been non-dimensionalized and generalized to yield relationships that can be used to determine the heat transfer performance and resulting pressure loss for any given wire-coil insert that may be used at the APS. Through data reduction, the wire-coil insert characteristic dimensions have also been optimized to yield the highest heat transfer enhancement while minimizing the coolant flow requirements. These generalized expressions for wirecoil inserts will be presented, and they can be used by scientists and engineers during the component design process to evaluate achievable heat transfer performance and associated pressure loss, aiding in the establishment of optimized operating parameters and cooling passage flow distribution schemes.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

nEXO: neutrinoless double beta decay search beyond 10 28 year half-life sensitivity

The nEXO neutrinoless double beta (0νββ) decay experiment is designed to use a time projection chamber and 5000 kg of isotopically enriched liquid xenon to search for the decay in 136 Xe. Progress in the detector design, paired with higher fidelity in its simulation and an advanced data analysis, based on the one used for the final results of EXO-200, produce a sensitivity prediction that exceeds the half-life of 10 28 years. Specifically, improvements have been made in the understanding of production of scintillation photons and charge as well as of their transport and reconstruction in the detector. The more detailed knowledge of the detector construction has been paired with more assays for trace radioactivity in different materials. In particular, the use of custom electroformed copper is now incorporated in the design, leading to a substantial reduction in backgrounds from the intrinsic radioactivity of detector materials. Furthermore, a number of assumptions from previous sensitivity projections have gained further support from interim work validating the nEXO experiment concept. Together these improvements and updates suggest that the nEXO experiment will reach a half-life sensitivity of 1.35 × 10 28 yr at 90% confidence level in 10 years of data taking, covering the parameter space associated with the inverted neutrino mass ordering, along with a significant portion of the parameter space for the normal ordering scenario, for almost all nuclear matrix elements. Furthermore, the effects of backgrounds deviating from the nominal values used for the projections are also illustrated, concluding that the nEXO design is robust against a number of imperfections of the model.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Speed Variation Based Power Regulation Concept for Dynamic Wireless Charging

On-road wireless charging of electric vehicles (EVs) in-motion could potentially reduce range anxiety or battery size with wide-spread deployment. The planning and implementation of such systems are greatly complicated due to their susceptibility to load variation inherent to traffic flow. Here, this paper proposes a method for derisking the potential for traffic slowdowns by compensating for reduced vehicle speed and investigates how implementation may affect system performance. A load modeling case study is presented at 200kW for a mile of high-speed roadway employing speed-based power regulation with results indicating average power usage and maximum car hosting capability can be reduced by 20% and increased by 30% respectively. An 85kHz power electronics model is developed based on designs and prototypes for an 11kW, 190m airgap static system and a 200kW dynamic wireless track. The simulation is validated in the 11kW experimental prototype and modified for 200kW operation to compare with simulated performance. Sensitivity studies are performed in MATLAB/Simulink to evaluate how parameters influence system performance and confirm the capability to reduce output power and maintain efficiency at 11 and 200kW. The static 11kW experimental system operates at 93.6% efficiency and multiple options exist to reduce power while maintaining efficiency greater than 90%. The capability to dynamically modify power output from WPT coils, in an experimentally validated simulation, enables techniques to significantly mitigate load variability due to reductions in vehicle speed.

42 ENGINEERING↗
DOE OSTI2022

MECHANISTIC MULTIPHYSICS MODELING OF CLADDING RUPTURE IN NUCLEAR FUEL RODS DURING LOSS-OF-COOLANT ACCIDENT CONDITIONS

The Loss of Coolant Accident (LOCA) is a design basis accident that is included as part of the safety analysis of nuclear power plants. As the nuclear industry desires to increase the cycle length and discharge burnup of existing nuclear power plants they must demonstrate safe operation during a LOCA on high burnup fuel. During a LOCA transient on high burnup fuel rods, the rods may undergo a process known as fuel fragmentation, relocation, and dispersal (FFRD). To permit dispersal, the cladding encapsulating the fuel must rupture with an opening size large enough to allow the fragmented fuel particles to release. Current licensing tools used by industry and the United States Nuclear Regulatory Commission are limited in geometric fidelity and materials that can be analyzed. These simulation tools generally employ a quasi-two-dimensional (1.5D or Layered1D) or 2D-RZ axisymmetric geometric representations exclusively. While a valid approach under some instances, there are times when important physics have an asymmetric behavior in the fuel rod. Examples include fuel fragmentation, thermal-hydraulic boundary conditions, and cladding rupture, all of which are important for LOCA analysis. As industry pursues burnup extensions it must be demonstrated that fuel dispersal can be mitigated or eliminated. To do this, an understanding of the rupture opening after cladding failure is required. This work presents the development of a model for predicting the size and location of the rupture opening in failed fuel rods during LOCA conditions using advanced modeling and simulation tools. In order to supply the rupture model with appropriate boundary conditions, improvements to fuel fragmentation, axial relocation and oxidation modeling were required. First, the eXtended Finite Element Method (XFEM) is used to mechanistically predict the number of fuel fragments that form due to material strength randomization, criteria for strength randomization, mesh density, power ramping rates and irradiation effects. These predictions with associated uncertainty were compared to empirical correlations developed for UO2 verifying that they can be used with increased confidence in subsequent axial relocation analyses. Secondly, a new first-of-its-kind Layered2D computational framework was developed that provides the ability to apply azimuthally varying boundary conditions while providing discrete layers to track fuel movement during the LOCA. An existing fuel axial relocation model developed for Layered1D was extended to work within the Layered2D framework. A large sensitivity study was performed on the initial version of the model to identify modeling parameters of particular importance, with the emissivity used for radiation after blowdown being the primary source of uncertainty. Then, a simplistic approach to incorporate mechanical degradation of the cladding due to oxidation was also developed to investigate the impact of reduced cladding thickness on predictions of the time to failure of cladding tubes. It was found that the cladding will typically rupture prior to a reduction in thickness that is sufficient to impact the rupture behavior. A model was then developed for predicting cladding rupture that transfers the cladding surface temperatures, rod internal and external pressures, fast neutron fluence, and fast neutron flux from a more detailed Layered1D, Layered2D, or 2D-RZ analysis to a 3D cladding only analysis. Comparisons of the rupture model to a few experiments indicate reasonable predictions. The rupture model was then applied to two accident tolerant fuel concepts (FeCrAl and Cr-coated Zircaloy) where it predicted that both ATF concepts would have smaller rupture openings and delayed rupture times than the standard Zircaloy-4 cladding material under identical loading conditions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

H 2 O-assisted O 2 reduction by H 2 on Pt and PtAu bimetallic nanoparticles: Influences of composition and reactant coverages on kinetic regimes, rates, and selectivities

Hydrogen peroxide (H 2 O 2 ) can replace hazardous oxidants in industrial processes but is currently too expensive for many such applications. While direct synthesis of H 2 O 2 (H 2 + O 2 → H 2 O 2 ) may reduce costs in comparison to incumbent technology, current catalysts lack the requisite stability and selectivity. Here, we examine the direct synthesis of H 2 O 2 on bimetallic Pt 1 Au x (0 ≤ x ≤ 230) and Pt catalysts at steady-state in pure water and relate kinetic parameters for H 2 O 2 and H 2 O formation to possible active site structures informed by complementary characterization methods. X-ray photoelectron spectra show significant Pt surface enrichment compared to the bulk composition. Analysis of infrared spectra of mixed monolayers of 12 CO* and 13 CO* indicate that Pt and Au form substitutional surface alloys. The Pt 1 Au x nanoparticles with the greatest mole fractions of Au predominantly expose Pt monomers (i.e., isolated Pt atoms), yet Pt atoms exposed upon all these nanoparticles possess electronic structures distinct from bulk Pt. Despite these differences, rate measurements are consistent with product formation through proton-electron transfer pathways for all Pt 1 Au x catalysts. In situ XAS indicate that Pt remains metallic during H 2 O 2 synthesis. Under the most oxidizing conditions, selectivities toward H 2 O 2 increase strongly with the Au to Pt ratio from 2% for monometallic Pt to 85% for Pt 1 Au 170 . However, selectivities are similar among all catalysts within reducing conditions. Comparisons of apparent activation enthalpies for the formation of H 2 O 2 and H 2 O across these catalysts and the range of conditions suggest that Pt monomers within Au provide the greatest selectivities for H 2 O 2 formation, because these active sites present high barriers for O-O bond rupture. Further, selectivities decrease with increasing ratios of H 2 to O 2 pressures, because Pt atoms aggregate and form oligomers that readily dissociate dioxygen intermediates. The combined use of spectroscopy, kinetics, and concepts employed in reaching these conclusions take inspiration from the legacy of Prof. Michel Boudart, and specifically his elegant methods for interrogating bimetallic catalysts.

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

Multilevel and multifidelity uncertainty quantification for cardiovascular hemodynamics

Standard approaches for uncertainty quantification in cardiovascular modeling pose challenges due to the large number of uncertain inputs and the significant computational cost of realistic three-dimensional simulations. Here, we propose an efficient uncertainty quantification framework utilizing a multilevel multifidelity Monte Carlo (MLMF) estimator to improve the accuracy of hemodynamic quantities of interest while maintaining reasonable computational cost. This is achieved by leveraging three cardiovascular model fidelities, each with varying spatial resolution to rigorously quantify the variability in hemodynamic outputs. We employ two low-fidelity models (zero- and one-dimensional) to construct several different estimators. Our goal is to investigate and compare the efficiency of estimators built from combinations of these two low-fidelity model alternatives and our high-fidelity three-dimensional models. We demonstrate this framework on healthy and diseased models of aortic and coronary anatomy, including uncertainties in material property and boundary condition parameters. Our goal is to demonstrate that for this application it is possible to accelerate the convergence of the estimators by utilizing a MLMF paradigm. Therefore, we compare our approach to single fidelity Monte Carlo estimators and to a multilevel Monte Carlo approach based only on three-dimensional simulations, but leveraging multiple spatial resolutions. We demonstrate significant, on the order of 10 to 100 times, reduction in total computational cost with the MLMF estimators. We also examine the differing properties of the MLMF estimators in healthy versus diseased models, as well as global versus local quantities of interest. As expected, global quantities such as outlet pressure and flow show larger reductions than local quantities, such as those relating to wall shear stress, as the latter rely more heavily on the highest fidelity model evaluations. Similarly, healthy models show larger reductions than diseased models. In all cases, our workflow coupling Dakota’s MLMF estimators with the SimVascular cardiovascular modeling framework makes uncertainty quantification feasible for constrained computational budgets.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Controlling Mass Transport in Direct Carbon Dioxide Zero-Gap Electrolyzers via Cell Compression

The development of high-performance CO 2 electrolyzers is crucial for accelerating the sustainable production of fuels and chemicals integrated with renewable energy sources. Here, we introduce a methodology to actively control mass transport inside a realistic zero-gap membrane electrode assembly of a CO 2 electrolyzer by varying the gasket thickness, which consequently changes the cell compression. This allows control over the thickness and porosity of the gas diffusion electrodes, influencing the overall electrolyzer performance, as demonstrated using Ag-deposited electrodes. At low operating voltages (<2.9 V), both high- and low-compression electrolyzers exhibit similar faradaic efficiencies and partial current densities for CO formation. However, at high voltages, the low-compression electrolyzer with high electrode porosity demonstrates superior CO selectivity and activity with suppressed H 2 formation. These experimental results are validated by the computational membrane electrode assembly (MEA) model developed by using the measured in situ electrode thicknesses and electrode porosities. Additionally, liquid electrolyte saturation at the catalyst layer is found to play a dominant role in determining the mass transport, resulting in a decreased electrolyzer performance with low electrode porosity. Finally, the systematic investigation in this study improves the understanding of the transport dynamics in MEA-based devices and provides insights into optimizing device design parameters for industry-relevant CO 2 electrolysis.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2023

Improved Productivity with Multilaser Rotary Powder Bed Fusion Additive Manufacturing

Laser powder bed fusion (LPBF) enables the fabrication of intricate, geometrically complex structures with a sufficiently fine surface finish for many engineering applications with a diversity of available feedstock metals. However, the production rate of LPBF systems is not well suited for mass production in comparison to traditional manufacturing methods. LPBF systems measure their deposition rates in 100's of grams per hour, while other processes measure in kilograms per hour or even in the case of processes such as forming, stamping, and casting, 100's of kilograms per hour. To be widely adopted in industry for mass production, LPBF requires a new scalable architecture that enables many orders of magnitude improvement in deposition rate, while maintaining the geometry freedom of additive manufacturing. This article explores concepts that could achieve as much as four orders of magnitude increase in the production rate through the application of (1) rotary table kinematic arrangements; (2) a dramatic number of simultaneously operating lasers; (3) reductions of laser optic size; (4) improved scanning techniques; and (5) an optimization of toroidal build plate size. To theoretically demonstrate the possibilities of production improvements, a productivity analysis is proposed for synchronous reluctance motors with relevance to the electric vehicle industry, given the recent increase in the diversity of printable soft magnetic alloys. The analysis provides insights into the impact of the architecture and process parameters necessary to optimize rotary powder bed fusion for mass production.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Breakdown of the single-collision condition for soft x-ray high harmonic generation in noble gases

High harmonic generation (HHG) in atomic gases is generally assumed to originate from photoelectrons that are not perturbed by neighboring particles. In this paper, we study theoretically and experimentally the regime where this approximation breaks down. At high laser intensities, we experimentally find that producing soft x-rays beyond this single-collision condition leads to a strong reduction of the coherent HHG response and appearance of incoherent radiation. We generalize our results to phase-matched HHG with mid-infrared drivers, and determine that a minimum pulse energy is needed to simultaneously phase match the HHG process and keep photoelectrons unperturbed by surrounding particles. Therefore, while previous research showed that HHG efficiency is independent of the driving pulse energy if other experimental parameters are scaled accordingly, we find that this rule no longer applies for high photon energies. Our study thus provides important guidelines for the laser parameters needed for the generation of high flux soft x-ray high harmonics.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2026

Uncertainty Quantification and Sensitivity Analysis of Nuclear Construction Cost Reduction Pathways

High construction costs have plagued recent nuclear projects and they hamper the widespread deployment of nuclear technology. The Nuclear Cost Reduction Tool is a plant economic framework that quantifies the impact that various plant design and construction attributes have on construction costs and cost overruns and shows the positive effects of learning over a series of deployments. However, a downside of the current model is that all model outputs and capabilities are deterministic. To provide a more comprehensive view, this study evaluated the impact of model parameter uncertainty through a sensitivity analysis applied to 18 model parameters. This approach quantified the impact of model uncertainty on the output variables of Net Overnight Capital Cost (Net OCC), Construction Duration (CD), and Levelized Cost of Electricity (LCOE). Monte Carlo analysis revealed uncertainty distributions for these variables, showing that absolute uncertainty decreases over a series of deployments. A local sensitivity analysis showed that even small parameter perturbations (5%) can have a significant impact on project execution, highlighting areas that could reduce costs by billions across an order book of plants. The results of this study have improved the understanding of the model and identified the most impactful model parameters and construction attributes.

Levelized Cost of Electricity↗
DOE OSTI2022

Coupled Cluster Downfolding Theory: towards universal many-body algorithms for dimensionality reduction of composite quantum systems in chemistry and materials science

Abstract The recently introduced coupled cluster (CC) downfolding techniques for reducing the dimensionality of quantum many-body problems recast the CC formalism in the form of the renormalization procedure allowing, for the construction of effective (or downfolded) Hamiltonians in small-dimensionality sub-space, usually identified with the so-called active space, of the entire Hilbert space. The resulting downfolded Hamiltonians integrate out the external (out-of-active-space) Fermionic degrees of freedom from the internal (in-the-active-space) parameters of the wave function, which can be determined as components of the eigenvectors of the downfolded Hamiltonians in the active space. This paper will discuss the extension of non-Hermitian (associated with standard CC formulations) and Hermitian (associated with the unitary CC approaches) downfolding formulations to composite quantum systems commonly encountered in materials science and chemistry. The non-Hermitian formulation can provide a platform for developing local CC approaches, while the Hermitian one can serve as an ideal foundation for developing various quantum computing applications based on the limited quantum resources. We also discuss the algorithm for extracting the semi-analytical form of the inter-electron interactions in the active spaces.

Bauman, Nicholas P.↗
DOE OSTI2021

Development and validation of a second-order thermal network model for residential buildings

Heating, Ventilation, and Air Conditioning (HVAC) systems can maintain the space air temperature of residential buildings, either directly by heating/cooling the air, or indirectly via heat transfer to and from the building structure that acts as a thermal mass. Hence, HVAC systems can help achieve load shifting, peak load reduction, and/or energy cost saving, thus enabling grid-interactive HVAC operation. A home thermal model that can accurately reflect the dynamics of the space air and interior wall surface temperatures, is therefore valuable. This paper develops such a model using the standard RC (resistance-capacitance) approach. The model contains a virtual envelope node and an internal space node and is thus second-order. A hybrid parameter identification scheme, made up of the least-squares and optimal search methods, is also developed. The proposed model and scheme were validated using data collected from a test home. It was found that a modest amount of training data was sufficient to yield reliable parameter estimates and accurate prediction. It was also found that when making 24-hour-ahead prediction of the space air temperature, both methods had comparable performances when the training data began in a transition season. However, when they began in an HVAC season, the optimal search method performed better. Furthermore, the least-squares method is recommended during a transition season due to its lower computational burden, while the optimal search method is recommended during an HVAC season due to its better estimation performance.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Finite-rate entrainment effects on nitrogen oxide (NO x ) emissions in staged combustors

Axially staged combustors offer the potential for achieving low NO x emissions from gas turbines at the elevated temperatures required to achieve at least 65% combined cycle efficiencies. While there is evidence that premixing between the main burner products and secondary stream reduces NO x , it is important to characterize the specific requirements needed to achieve low emissions at gas turbine conditions. This study examines the sensitivity of NO x to finite-rate, large-scale entrainment of the main and secondary streams under the simplifying assumption of infinitely-fast small-scale mixing. Essentially, this allows us to isolate the effects of limited large-scale entrainment rates by using a homogeneous/uniform condition for the entrained and reacting gases. We use a reduced-order reactor network model to examine a generic staged-combustor whose inputs are physical time scales that embody the finite-rate entrainment characteristics. With simulations conducted over a large parameter space at typical operating conditions (25 atm, 650 K air), the results show that, even when small-scale mixing is infinitely fast and the reaction zone is uniform, entrainment significantly affects NO x emissions due to its influence on the equivalence ratio — and thus the temperature and time — at which the entrained mixture ignites. Fuel-air staging is shown to be vital to NO x reduction in most practical cases where entrainment times exceed roughly 1 ms and the secondary stream finishes entraining before the main burner products. A constrained NO x minimization indicates that using the leanest possible main burner and re-routing as much air as possible to the secondary stage is key to low NO x with finite-rate entrainment; for example, less than 10 ppm NO x can be achieved if the secondary stage contains 20% of the total mass flow.

03 NATURAL GAS↗
DOE OSTI2023

Performance analysis of single-phase immersion cooling system of data center using FC-40 dielectric fluid

Immersion cooling technologies have become an emerging cooling method for data center cooling. The studies available in open literature dealt with immersion cooling performance of data servers using mineral oil, EC-100, and Opticool 872552, but the studies focusing on the performance of FC-40 dielectric fluid is not available. Therefore, this study aimed to develop a single-phase liquid immersion cooling system using FC-40 dielectric fluid for a 1U (44.45 mm height) data server. The present study experimentally investigated the influence of different design and operating parameters, including the inlet/outlet port configuration (T and Z configurations), the bypass effect, the flowrate (1–3 LPM), the heating load (200–600 W), the inlet fluid temperature (15–35 °C), the presence of suction fan with various arrangements, and different heat sink bases (solid base, vapor chamber and heat pipe base). The results showed that the T-configuration could provide a 12.6% and 0.5–2.8 °C reduction in thermal resistance and case temperature compared to the Z-configuration, respectively. Additionally, the heat sink with heat pipe and vapor chamber base offered a minimum case temperature of 56.7 °C and 55.2 °C against the 60 °C experienced in the heat sink with flat plate base, respectively.

42 ENGINEERING↗
DOE OSTI2026

Quantitative Analysis of the Semiconductor–Electrolyte Interface Using Cyclic Voltammetry Measurements

Small changes in the chemical potential at a semiconductor interface can result in dramatic changes to the space-charge layer that underpins applications in the electronic and photovoltaic industries as well as in photoelectrochemical cells for fuel production. There has hence been great interest in techniques that directly probe the space-charge layer, yet many fail at the semiconductor–electrolyte interface due to the potential drop in the electric double-layer region of the electrolyte. This article demonstrates that photovoltages, obtained from straightforward cyclic voltammetry measurements, provide an experimental and quantitative approach for characterizing the semiconductor–electrolyte interface. Key parameters accessible through this approach include the flat-band potential ( E fb ), the fraction of the total potential that drops across the space-charge layer (γ sc ) and the electric double layer, as well as the surface recombination lifetime (τ s ). Here, we report photovoltage measurements for p -type Si(111) photoelectrodes in contact with electrolytes containing redox-active species with a range of known reduction potentials that exceed the 1.1 eV bandgap. In tetrabutylammonium [NBu 4 ] + electrolyte, the flat-band potential determined for hydrogen-terminated ( p -Si–H), methyl-terminated ( p -Si–CH 3 ), and chemically oxidized ( p -Si–cSiO x ) surfaces were −0.02, −0.31, and 0.30 V vs Fc +/0 , respectively, agreeing well with expected shifts arising from surface dipole modifications. The quantitative analysis also reveals that 67% of the applied bias drops across the space-charge layer for p -Si–H, 73% for p -Si–CH 3 , and only 44% for p -Si–cSiO x . The remaining potential drop is attributed to the interfacial surface layer, which consists of a molecular dipole or oxide overlayer, and the Helmholtz layer within the electrolyte. When the larger [NBu 4 ] + electrolyte was replaced with Li + , the flat-band position showed minimal changes, but the fraction of the potential drop across the space-charge layer increased significantly, consistent with the small cation altering the structure of the electric double layer.

electrolytes↗