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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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DOE OSTI2026

Single-Phase to Split-Phase Inverters with Advanced Grid Support Functions for Grid-Interactive Applications

This work presents a cost-effective single-phase to split-phase inverter with a reduced switch count, achieving grid interactive performance while maintaining operational efficiency. The proposed system integrates an Andronov-Hopf oscillator based secondary controller, which inherently embeds a nonlinear resistive droop architecture, ensuring rapid dynamic response. A Lyapunov energy function-based primary control enhances transient stability and regulation, while an internal model-based point of common coupling voltage estimation enables cost optimization without additional sensors. Equipped with advanced grid support functionalities, the inverter facilitates seamless distribution system operation with enhanced robustness. The effectiveness of the proposed architecture and control strategy is validated through MATLAB/Simulink and PLECS simulations, demonstrating its feasibility for high-performance grid-supportive applications.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Improved pore network models to simulate single-phase flow in porous media by coupling with lattice Boltzmann method

In this paper, different pore network models to simulate single-phase flow in porous media are built and their accuracy is evaluated. In addition to the conventional pore network model (CPNM) which consists of regular pore bodies and throat bonds, three improved pore network models (IPNMs) are developed allowing to better describing the real pore and throat geometry. The first improved pore network model (IPNM1) replaces the regular throat bond with a throat bond showing the real throat cross section. The second improvement (IPNM2) uses a series of sub-throat bonds with varying cross sections to better describe the real throat geometry, which is firstly proposed in this paper. The third model (IPNM3) extracts the real pore-throat-pore geometry without simplification. The conductance of fluid flow through these more realistic throat bonds is calculated by the lattice Boltzmann method (LBM). The accuracy and computational efficiency of the different pore network models are evaluated taking the LBM simulation over the whole porous medium as reference solution. The global permeability and detailed pressure distributions in the pores for the different pore network models are validated. The results show that the accuracy of the pore network model increases from CPNM to IPNM3, but at the expense of increasing computational cost. This study suggests that IPNM3 can replace a whole-domain LBM simulation with similar accuracy but much lower computational cost. As a first-order approximation the newly proposed IPNM2 is suggested as good compromise between accuracy and computational cost.

42 ENGINEERING↗
DOE OSTI2022

A Novel Hit-Based Method to Distinguish Tracks and Showers in ProtoDUNE Single Phase

Pandora is a pattern recognition software used in liquid argon time projection chamber (LArTPC) experiments such as MicroBooNE, DUNE, SBND, ICARUS, and ProtoDUNE Single Phase (SP). The output of a LArTPC can be considered a high-resolution 2D image and energy depositions, called hits, from particles in a LArTPC create complicated topologies that are broadly classified into tracks and showers. The event reconstruction is particularly challenging when there are multiple overlapping particles and in order to fully harness the imaging capabilities of thoseexperiments, Pandora needs to separate them. A hit-based approach to this problem is presented, which analyses small regions around each hit in events from DUNE Far Detector (FD) and from those regions it calculates local variables that are used subsequently in a machine learning approach. After this stage, it is given to each hit a probability to belong to a track or shower-like particle. Results will show the performance of separation between tracks and showers. This method is planned to be used for ProtoDUNE SP.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Thermal Performance of Triply Periodic Minimal Surface Lattice Structures in Single-Phase Dielectric Fluid Cooling of Power Electronics

Additive manufacturing has transformed thermal management by enabling the production of complex, optimized geometries that conventional manufacturing methods cannot achieve. This study investigates the single-phase convective heat transfer performance of gyroid triply periodic minimal surface (TPMS) lattice structures with functional porosity. TPMS structures provide high surface area to volume ratios and are amenable to 3D printing. A gyroid numerical model was created and validated against an existing experimental study with a similar feature size to the investigated geometries. The TPMS structure has a periodic width of 1.6 mm, a length of 10 mm, and a height of 4 mm, with a functional porosity ranging from 0.5 to 0.8, decreasing with distance from the heated surface. Three different flow configurations were examined for an inlet fluid temperature of 70 °C. The inlet velocities range from 0.01 to 1.2 m/s, corresponding to a Reynolds number range of 10–900 with a heat flux of 50 W/cm 2 applied at the base. AmpCool ® AC-110 dielectric fluid (Prandtl number 59.5) was used as the coolant. Thermal performance and friction characteristics were studied for the three flow orientations. The parallel flow configuration was identified as the most efficient for heat removal. A detailed analysis of the numerical results highlights the underlying physics behind the thermal performance differences among the flow configurations.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

Magnetic moments and spin structure in single-phase B20 Co 1+x Si 1-x (x = 0.043)

Neutron powder diffraction (NPD) and x-ray magnetic circular dichroism (XMCD) spectroscopy are employed to investigate the magnetism and spin structure in single-phase B20 Co 1.043 Si 0.957 . The magnetic contributions to the NPD data measured in zero fields are consistent with the helical order among the allowed spin structures derived from group theory. The magnitude of the magnetic moment is (0.3 ± 0.1) μ B /Co according to NPD, while the surface magnetization probed by XMCD at 3 kOe is (0.18–0.31) μ B /Co. Both values are substantially larger than the bulk magnetization of 0.11 μ B /Co determined from magnetometry at 70 kOe and 2 K. Finally, these experimental data indicate the formation of a helical spin phase and the associated conical states in high magnetic fields.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Xenon doping of Liquid Argon in ProtoDUNE Single Phase: first results

Doping Liquid Argon (LAr) with xenon is a known technique to shift the light emitted by argon (128 nm) to a longer wavelength to ease its detection. The largest Xenon doping test ever performed in a LArTPC was carried out in ProtoDUNE Single Phase (ProtoDUNE-SP) at the CERN Neutrino Platform. The response of such a large TPC (7701 of Liquid Argon and 4401 of fiducial mass) has been studied using the ProtoDUNE Photon Detection System (PDS) and a dedicated setup installed before the run. With the first, it was possible to study the light detected in the system as a function of the xenon concentration and to characterise the light collection efficiency with respect to the track position. With the second system it was possible to disentangle the LAr (128 nm) light from the xenon (178 nm) light using two dedicated X-ARAPUCA modules. The run was fully satisfactory, it was possible to measure directly the increase of the xenon light component during doping; furthermore most of the LAr light quenched by impurities was fully recovered even at small Xenon concentration (< 20 ppm in mass). A study of the collected scintillation light as a function of the track position showed an improvement of the detector response uniformity.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Challenging thermodynamics: combining immiscible elements in a single-phase nano-ceramic

Abstract The Hume-Rothery rules governing solid-state miscibility limit the compositional space for new inorganic material discovery. Here, we report a non-equilibrium, one-step, and scalable flame synthesis method to overcome thermodynamic limits and incorporate immiscible elements into single phase ceramic nanoshells. Starting from prototype examples including (NiMg)O, (NiAl)O x , and (NiZr)O x , we then extend this method to a broad range of Ni-containing ceramic solid solutions, and finally to general binary combinations of elements. Furthermore, we report an “encapsulated exsolution” phenomenon observed upon reducing the metastable porous (Ni 0.07 Al 0.93 )O x to create ultra-stable Ni nanoparticles embedded within the walls of porous Al 2 O 3 nanoshells. This nanoconfined structure demonstrated high sintering resistance during 640 h of catalysis of CO 2 reforming of methane, maintaining constant 96% CH 4 and CO 2 conversion at 800 °C and dramatically outperforming conventional catalysts. Our findings could greatly expand opportunities to develop novel inorganic energy, structural, and functional materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

A new class of single-phase multiferroics: Bismuth-based layered supercell oxide thin films—Current progress and future perspectives

Multiferroic materials, where ferroelectric and magnetic orders coexist, have ignited substantial research interest due to the achievable manipulation of magnetic orders using external electric fields, a feature that has garnered serious interest for memory storage applications. Nonetheless, naturally occurring single-phase multiferroic materials are scarce, thus constraining options for practical use. Over the last decade, bismuth-based layered supercell (LSC) oxides have emerged as novel candidates for multiferroics, catalyzing extensive investigations in this domain. Additionally, these LSC systems are known for their anisotropic structures and optical properties, making them promising for application in optics such as polarizers, beam splitters, and modulators. This thorough review explores the development and current advancements in multiferroic bismuth-based LSC materials. It covers the diverse nature of LSCs, detailing their microstructure, properties, and the mechanics of self-assembly formation. It also highlights the remarkable multifunctional characteristics of LSC-based nanocomposites, with a particular focus on their applications in electronics and optics. Moreover, this review examines the significant potential of LSCs in practical applications, particularly through their integration onto silicon and flexible substrates via heteroepitaxy and film transfer techniques. Finally, it offers insights into potential future research avenues and the broader implications of these versatile LSC materials.

Materials Science↗
DOE OSTI2022

Xenon doping of liquid argon in ProtoDUNE single phase

The Deep Underground Neutrino Experiment (DUNE) will be the next generation long-baseline neutrino experiment. The far detector is designed as a complex of four LAr-TPC (Liquid Argon Time Projection Chamber) modules with 17 kt of liquid argon each. The development and validation of the first far detector technology is pursued through ProtoDUNE Single Phase (ProtoDUNE-SP), a 770 t LAr-TPC at CERN Neutrino Platform. Crucial in DUNE is the photon detection system that will ensure the trigger of non-beam events — proton decay, supernova neutrino burst and BSM searches — and will improve the timing and calorimetry for neutrino beam events. Doping liquid argon with xenon is a known technique to shift the light emitted by argon (128 nm) to a longer wavelength (178 nm) to ease its detection. The largest xenon doping test ever performed in a LAr-TPC was carried out in ProtoDUNE-SP. From February to May 2020, a gradually increasing amount of xenon was injected to also compensate for the light loss due to air contamination. The response of such a large TPC has been studied using the ProtoDUNE-SP Photon Detection System (PDS) and a dedicated setup installed before the run. With the first it was possible to study the light collection efficiency with respect to the track position, while with the second it was possible to distinguish the xenon light (178 nm) from the LAr light (128 nm). The light shifting mechanism proved to be highly efficient even at small xenon concentrations (<20 ppm in mass) furthermore it allowed recovering the light quenched by pollutants. The light collection improved far from the detection plane, enhancing the photon detector response uniformity along the drift direction and confirming a longer Rayleigh scattering length for 178 nm photons, with respect to 128 nm ones. The charge collection by the TPC was monitored proving that xenon up to 20 ppm does not impact its performance.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Verification benchmarks for single-phase flow in three-dimensional fractured porous media

Flow in fractured porous media occurs in the earth’s subsurface, in biological tissues, and in man-made materials. Fractures have a dominating influence on flow processes, and the last decade has seen an extensive development of models and numerical methods that explicitly account for their presence. To support these developments, four benchmark cases for single-phase flow in three-dimensional fractured porous media are presented. Furthermore, the cases are specifically designed to test the methods’ capabilities in handling various complexities common to the geometrical structures of fracture networks. Based on an open call for participation, results obtained with 17 numerical methods were collected. This paper presents the underlying mathematical model, an overview of the features of the participating numerical methods, and their performance in solving the benchmark cases.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Doping liquid argon with xenon in ProtoDUNE Single-Phase: effects on scintillation light

Doping of liquid argon TPCs (LArTPCs) with a small concentration of xenon is a technique for light-shifting and facilitates the detection of the liquid argon scintillation light. In this paper, we present the results of the first doping test ever performed in a kiloton-scale LArTPC. From February to May 2020, we carried out this special run in the single-phase DUNE Far Detector prototype (ProtoDUNE-SP) at CERN, featuring 720 t of total liquid argon mass with 410 t of fiducial mass. A 5.4 ppm nitrogen contamination was present during the xenon doping campaign. The goal of the run was to measure the light and charge response of the detector to the addition of xenon, up to a concentration of 18.8 ppm. The main purpose was to test the possibility for reduction of non-uniformities in light collection, caused by deployment of photon detectors only within the anode planes. Light collection was analysed as a function of the xenon concentration, by using the pre-existing photon detection system (PDS) of ProtoDUNE-SP and an additional smaller set-up installed specifically for this run. In this paper we first summarize our current understanding of the argon-xenon energy transfer process and the impact of the presence of nitrogen in argon with and without xenon dopant. We then describe the key elements of ProtoDUNE-SP and the injection method deployed. Two dedicated photon detectors were able to collect the light produced by xenon and the total light. The ratio of these components was measured to be about 0.65 as 18.8 ppm of xenon were injected. We performed studies of the collection efficiency as a function of the distance between tracks and light detectors, demonstrating enhanced uniformity of response for the anode-mounted PDS. We also show that xenon doping can substantially recover light losses due to contamination of the liquid argon by nitrogen.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Evaluating the grain-scale deformation behavior of a single-phase FCC high entropy alloy using synchrotron high energy diffraction microscopy

We report although the deformation behavior of high-entropy alloys (HEAs) has been extensively studied at the macroscale, many important properties have yet to be explored for these alloys at the microscale, thus hampering accurate prediction of damage and failure processes. Synchrotron high-energy diffraction microscopy (HEDM) and fast-Fourier transform-based crystal plasticity modeling was conducted to investigate the three-dimensional (3D) grain-resolved micromechanical response for approximately 1,900 constituent grains within a single-phase FCC HEA up to 1% applied strain. The evolution of grain-resolved elastic strains, lattice reorientations, and maximum resolved shear stresses (mRSS) were evaluated to quantify elastic, yield, and fully plastic behavior. Overall, the initial critical resolved shear stress (CRSS), determined via in situ HEDM and companion modeling, was found to be > 20% higher than estimated using the classical polycrystalline Taylor factor (M = 3.06). However, a descriptive parameter based on the average grain-resolved Taylor factor ($\overline{M}$) was found to show excellent agreement with plastic yielding behavior observed within HEDM datasets. Noticeable deviations in HEDM lattice reorientations compared to both EVP-FFT simulations and classical predictions for FCC polycrystals were discovered, highlighting the complexity in correlating local lattice reorientations, Taylor, and Schmid factors with plastic response for this material at the grain-scale. Therefore, it is anticipated that the overall trends and parameter identification of 3D grain-resolved properties in this study can serve as an important foundation for continued mesoscale investigation on both well-established and newly developed Cantor-like HEAs.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Tailoring grain growth and solid solution strengthening of single-phase CrCoNi medium-entropy alloys by solute selection

In the present study, we selected solutes to be added to the CrCoNi medium-entropy alloy (MEA) based on the mismatch of self-diffusion activation energy (SDQ) between the alloying elements and constituent elements of the matrix, and then investigated their grain growth behavior and mechanical properties. Mo and Al were selected as the solutes for investigation primarily because they have higher and lower SDQ, respectively, than those of the matrix elements; a secondary factor was their higher and lower shear modulus. Their concentrations were fixed at 3 at.% each because previous work had shown these compositions to be single-phase solid solutions with the face-centered cubic structure. Three alloys were produced by arc melting, casting, homogenizing, cold rolling and annealing at various temperatures and times to produce samples with different grain sizes. They were (a) the base alloy CrCoNi, (b) the base alloy plus 3 at.% Mo, and (c) the base alloy plus 3 at.% Al. The activation energies for grain growth of the CrCoNi, CrCoNi-3Mo and CrCoNi-3Al MEAs were found to be ~251, ~368 and ~219 kJ/mol, respectively, consistent with the notion that elements with higher SDQ (in this study Mo) retard grain growth (likely by a solute-drag effect), whereas those with lower values (Al) accelerate grain growth. The room-temperature tensile properties show that Mo increases the yield strength by ~40% but Al addition has a smaller strengthening effect consistent with their relative shear moduli. The yield strength as a function of grain size for the three singlephase MEAs follows the classical Hall-Petch relationship with much higher slopes (> 600 MPa μm -0.5 ) than traditional solid solutions. Furthermore, this work shows that the grain growth kinetics and solid solution strengthening of the CrCoNi MEA can be tuned by selecting solute elements that have appropriate diffusion and physical properties.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Development of a Single-Phase, Transient, Subchannel Code, within the MOOSE Multi-Physics Computational Framework

Subchannel codes have been widely used for thermal-hydraulics analyses in nuclear reactors. This paper details the development of a novel subchannel code within the Idaho National Laboratory’s (INL) Multi-physics Object Oriented Simulation Environment (MOOSE). MOOSE is a parallel computational framework targeted at the solution of systems of coupled, nonlinear partial differential equations, that often arise in the simulation of nuclear processes. As such, it includes codes/modules able to solve the multiple linear and nonlinear physics that describe a nuclear reactor, under normal operation conditions or accidents. This includes thermal-hydraulics, fuel performance, and neutronics codes, between others. A MOOSE-based subchannel code is a new addition to the fleet of INL-developed codes, based on the MOOSE framework. In this work, we present the derivation of the subchannel equations for a single-phase fluid, we proceed with the description of the algorithm that is used to solve these equations and describe how this algorithm was implemented within MOOSE. We also present how this code can be coupled to the BISON fuel performance code. Next, we verify the friction model and the turbulent mixing model. We calibrate the turbulent modeling parameters for momentum mixing and enthalpy mixing, C T , β. We validate the code using experimental results and last demonstrate the coupling capabilities using a simple example.

42 ENGINEERING↗
DOE OSTI2022

Single-Phase Dielectric Fluid Thermal Management for Power-Dense Automotive Power Electronics

This paper describes the design and performance of a dielectric fluid cooling concept for automotive power electronics. The concept combines a low-thermal-resistance package (which eliminates metalized ceramic substrates) with a high-performance convective cooling strategy (slot jets impinging on finned surfaces). Modeling was first used to design the cooling system to maximize thermal performance and minimize pumping power. Additionally, a prototype was then fabricated, and experiments were conducted to validate the model predictions using three fluids at various fluid flow rates (16.7 cm 3 /s [1 L/min] to 68.3 cm 3 /s [4.1 L/min]) and inlet temperatures (30C and 70C). The final design was compact (120-cm 3 total volume, including heat exchanger and conceptual power modules) and cooled 12 devices (e.g., silicon carbide). The validated model was then used to predict the junction-to-fluid thermal resistance and pumping power for various conditions, including 40C fluid temperature. The results predict thermal resistance values as low as 19 mm 2 K/W are possible using the dielectric fluid cooling approach. The dielectric fluid cooling system is predicted to provide thermal resistance and pumping power values that are approximately 56% and 90% lower, respectively, compared to an automotive power electronics cooling system.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2020

A novel stress-induced martensitic transformation in a single-phase refractory high-entropy alloy

High-entropy alloys (HEAs) provide a new perspective to design metastable alloys with the stress-induced martensitic transformation (SIMT) for overcoming the strength-ductility trade-off. Here, we report a novel SIMT, orthorhombic to hexagonal close-packed martensite, in a single orthorhombic refractory HEA (Ti 16 Zr 35 Hf 35 Ta 14 RHEA), showing a good yield strength-ductility matching. The analysis of the elastic distortion energy (ΔE els ) of Ti 16 Zr 35 Hf 35 Ta 14 and several other RHEAs reveals that severe lattice distortion is a key factor which causes this SIMT. Combined the “d-electron alloy design” approach with the ΔE els , the phase configuration and SIMT path in RHEAs can be well predicted. Our work brings new insights between the lattice distortion and SIMT of RHEAs, benefiting the metastable alloy development.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Electric‐Field‐Driven Reversal of Ferromagnetism in (110)‐Oriented, Single Phase, Multiferroic Co‐Substituted BiFeO 3 Thin Films

Abstract While multiferroic materials are attractive systems for the promise of ultra‐low‐power‐consumption computational technologies, electric‐field‐induced magnetization reversal is a key challenge for realizing devices at scale. Though significant research efforts have been working toward the realization of a material which couples ferroelectricity and ferromagnetism, there are few, even composite, systems which are practical for device scale applications at room temperature. Co‐substituted multiferroic BiFe 0.9 Co 0.1 O 3 is a promising candidate system, due to coupled ferroelectricity and weak ferromagnetism at room temperature. Here, it is theoretically indicated that the ferroic orders in this material are statically coupled, where an in‐plane 109° ferroelectric switching event can result in the reversal of this out‐of‐plane component of magnetization, and the electric field‐induced magnetization reversal is experimentally observed. Such an in‐plane poling configuration is particularly desirable for device applications.

Chemistry↗