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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 235 records · Page 13

Microsphere LiMn 0.6 Fe 0.4 PO 4 /C cathode with unique rod-like secondary architecture for high energy lithium ion batteries

LiMn x Fe 1-x PO 4 /C is considered a promising next-generation cathode material with significant commercial potential, inheriting the safety of LiFePO 4 while offering higher energy densities. However, the extremely low conductivity and the Jahn-Teller effect induced by Mn 3+ limit its practical capacity and rate performance. Effective modifications can be achieved through particle nanonization and uniform carbon coating. Here, in this work, we synthesized microspherical LiMn 0.6 Fe 0.4 PO 4 /C cathode materials using a hydrothermal method combined with spray drying carbon coating. The cathode material exhibits a microsphere structure composed of aggregated nanorods with a uniform 3 nm carbon coating, showing good dispersibility, small specific surface area and high tap density. In-situ diffraction analysis showed that expanding the single-phase solid solution region during (de)lithiation can reduce the energy barrier for electron transport, improve the kinetics of the (dis)charge process, and enhance both cycling and rate performance. The initial capacity at 0.1C can reach 155 mAh/g, and the capacity remains at 133.5 mAh/g with a retention rate of 97.1 % after 300 cycles. The synergistic effect of particle nanonization and uniform carbon coating endows the LiMn x Fe 1-x PO 4 /C material with excellent electrochemical performance.

25 ENERGY STORAGE↗

The Effect of Power Electronic Loads on Western Interconnection Stability

The prevalence of power electronics in the bulk power system is increasing rapidly in both the generation and consumption of electricity. This work focuses on the effect of changing load composition - specifically the transition from single phase air conditioner motors to power electronics backed air conditioners - on power system stability. Various transmission and generation contingency events for the Western Interconnection were simulated using Positive Sequence Load Flow software and planning models from the Western Electricity Coordinating Council. In general, an increased proportion of power electronic load leads to more instability. For some specific faults resulting in fault-induced delayed voltage recovery, transitioning to higher proportions of power electronic loads helps expedite system recovery. These results demonstrate that load composition should be examined in conjunction with generation composition when evaluating system stability.

FIDVR↗

Facile One-Pot Block Copolymer-Mediated Solvothermal Approach for Synthesis of High-Entropy Alloy with Enhanced OER Activity

Herein, we introduce a straightforward synthesis approach for highly active dendritic multimetallic high-entropy alloy (DMHEA@PtIrPdAgRu) nanoparticles with sufficient entropic mixing, featuring uniform distribution of five noble group metals (Pt, Ir, Pd, Ag, and Ru) via a block copolymer-mediated one-pot solvothermal reduction method for oxygen evolution reaction (OER). In this synthesis, N,N -dimethylformamide (DMF) is used as a reductant as well as solvent and core–shell-corona-type (poly(styrene)- block -poly(vinylpyridine)- block -poly(ethylene oxide)) (PS-PVP-PEO) block copolymer as a structure directing agent. The cooperative effect between the copolymer architecture and the reducing environment of DMF promoted a confined nucleation mechanism for forming a single-phase dendritic structure HEA with high compositional uniformity, thereby mitigating phase segregation, a common challenge in the synthesis of multimetallic nanoparticles. This prepared DMHEA@PtIrPdAgRu catalyst exhibits a low overpotential of 490 mV to attain a high current density of 100 mA cm –2 with a Tafel slope of 442 mV dec –1 for oxygen evolution. The superior OER performance is attributed to the synergistic cooperation among its active and coordinated metal centers as well as the incorporation of corrosion-resistant metal like platinum.

block copolymer↗

A robust alloy design (RAD) strategy for next-generation (IV) nuclear fission reactors

Next-generation nuclear reactors demand structural materials capable of withstanding extreme conditions, including high temperatures, intense neutron flux, and corrosive environments. Multi-Principal Element Alloys (MPEAs) have emerged as promising candidates due to their exceptional radiation tolerance, thermal stability, and compositional flexibility. This study introduces a versatile and customizable Robust Alloy Design (RAD) strategy for systematically designing MPEAs for GEN-IV reactor fuel cladding. The RAD framework integrates nuclear-relevant selection criteria, empirical parameter assessments, and high-throughput CALPHAD simulations to efficiently narrow compositional space and identify stable alloys. A unified RAD score developed for the first time, combines key performance metrics, including fuel-clad chemical interaction (FCCI), neutron absorption cross-section (NAC), valence electron configuration (VEC), and melting point factor (MPF), into a flexible ranking system adaptable to reactor-specific priorities. Among 724 candidates, V555(5Al–5Cr–5Fe–85V) emerged as the top alloy, validated experimentally with a homogeneous single-phase BCC microstructure and superior mechanical properties (nano-indentation: 3.389 ± 0.258 GPa; Vickers hardness: 240 ± 6.7 HV), significantly outperforming Zircaloy-4 and V-4Cr-4Ti. Importantly, the RAD strategy is not limited to nuclear applications; its customizable weighting system enables scalability to other extreme environments. This adaptability positions RAD strategy as a versatile tool for advanced materials design across multiple industries.

Alloy design↗

Ambient pressure synthesis and characterization of layered honeycomb Li 2 PdO 3

Single-phase polycrystalline Li 2 PdO 3 has been synthesized at 640°C in oxygen for the first time under ambient pressure. X-ray and neutron diffraction analyses show that the sample possesses a monoclinic layered structure belonging to the C2/m space group. Rietveld refinements of neutron powder diffraction data indicate ~10% Li–Pd site exchange and DIFFaX modelling manifest ~2% stacking faults present within LiPd 2 layers. A band gap of ~2.23 eV was calculated for the golden Li 2 PdO 3 using absorbance measurements. Thermogravimetric analysis of the sample shows that Li 2 PdO 3 is stable up to 730°C under oxygen. Here a Curie tail is observed at low temperature magnetic measurements (T < 50K), yielding an effective moment of 0.038 μ B , possibly due to spin ½ impurities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Photophysical Properties and Phase Behavior of Ultrawide Photovoltaic Bandgap Cesium–Lead-Based Triple Halide Perovskites

Metal halide perovskite films in the top cell of triple-junction tandems require bandgaps around 2.0 eV to achieve current matching, assuming that the middle absorbing layer is the commonly used FAPbI 3 composition and the bottom cell has a bandgap around 1.1 eV. Unfortunately, mixed organic/inorganic metal halide perovskites that have the necessary Br content to reach a bandgap of 2.0 eV segregate into iodine-rich and bromine-rich phases under illumination, limiting their obtainable voltage. Previous reports have shown improved photostability using either Cs-based inorganic compositions or Cl incorporation on the X-site. Here, we investigate the inorganic triple halide compositional space CsPb­(I 1–x–y Br y Cl x ) 3 where bandgaps near 2.0 eV are expected based on the knowledge that CsPbI2Br has a bandgap of 1.90 eV. Incorporation of Cl occurs readily for x ≤ 0.07–0.10 within perovskites with a Br content of 0.3 ≤ y ≤ 0.42. When x >0.1, X-ray diffraction and photoluminescence (PL) measurements indicate that multiple compositional phases form. We hypothesize that the variable sizes of the three halide ions are not supported within the rigid Cs lattice, resulting in the formation of multiple compositional phases. The photoluminescence quantum yield of the single-phase compositional space–CsPb­(I 1–x–y Br y Cl x ) 3 where x ≤ 0.07was typically 0.001–0.004%, most likely as a result of a high defect density, including mobile iodine species. PL light-soaking measurements of many perovskite compositions with bandgaps in the range of 1.89–2.05 eV demonstrate that phase segregation occurs when initial bandgaps are above 1.95 eV regardless of halide content: indicating further iodide oxidation and corresponding migration under illumination. The conclusion is that further compositional or additive engineering is necessary for the development of inorganic triple halide compositions that accomplish the elusive goal of fabricating high-quality and photostable 2.0 eV films for use in multijunction tandems.

Electrical conductivity↗

Integrated design of aluminum-enriched high-entropy refractory B2 alloys with synergy of high strength and ductility

Refractory high-entropy alloys (RHEAs) are promising high-temperature structural materials. Their large compositional space poses great design challenges for phase control and high strength-ductility synergy. The present research pioneers using integrated high-throughput machine learning with Monte Carlo simulations supplemented by ab initio calculations to effectively navigate phase selection and mechanical property predictions, developing single-phase ordered B2 aluminum-enriched RHEAs (Al-RHEAs) demonstrating high strength and ductility. These Al-RHEAs achieve remarkable mechanical properties, including compressive yield strengths up to 1.7 gigapascals, fracture strains exceeding 50%, and notable high-temperature strength retention. They also demonstrate a tensile yield strength of 1.0 gigapascals with a ductility of 9%, albeit with B2 ordering. Furthermore, we identify valence electron count domains for alloy ductility and brittleness with the explanation from density functional theory and provide crucial insights into elemental influence on atomic ordering and mechanical performance. The work sets forth a strategic blueprint for high-throughput alloy design and reveals fundamental principles governing the mechanical properties of advanced structural alloys.

Science & Technology - Other Topics↗

Phase evolution during conventional and reactive flash sintering of (Mg,Ni,Co,Cu,Zn)O via in situ X-ray diffraction

Reactive flash sintering (RFS) enables the simultaneous synthesis and sintering of ceramics and has been shown to affect the reaction pathway of different materials. Herein, in situ synchrotron X-ray diffraction (XRD) is used to investigate the (Mg,Ni,Co,Cu,Zn)O entropy-stabilized oxide formation during: (i) conventional heating and (ii) RFS under current rate-controlled mode. The same reaction pathway is verified in both instances: the starting rock-salt (RS), spinel (Co 3 O 4 ), tenorite (CuO), and wurtzite (ZnO) phases transform into a single RS phase with a (1 1 1) to (2 0 0) intensity ratio of 0.67, consistent with a random distribution of the cations into the structure. Pt lattice peak shift from the XRD patterns is used as standard to monitor the sample surface temperature, revealing a strong endothermic reaction during the RS single-phase formation (Pt peaks shift toward higher angles while increasing sample temperature/current density). Furthermore, in RFS, the single-phase RS structure is formed in just 60 s at a furnace temperature of 600°C and a current rate of 220 mA mm -2 /min. Therefore, RFS greatly accelerates the synthesis of (Mg,Ni,Co,Cu,Zn)O, however, it does not play a role in the reaction pathway for this material formation.

36 MATERIALS SCIENCE↗

Assessing the Accuracy of Balanced Power System Models in the Presence of Voltage Unbalance

Traditional models of electric power systems represent distribution systems with unbalanced three-phase network models and transmission systems with balanced single-phase-equivalent network models. This distinction poses a challenge for coupled models of transmission and distribution systems, which are becoming more prevalent due to the growth of distributed energy resources connected to distribution systems. In order to maintain a balanced network representation, transmission system models typically assume that the voltage phasors at the interface to the distribution system are balanced. Inaccuracies resulting from this assumption during unbalanced operation can lead to erroneous values for line currents in the transmission system model. This paper empirically quantifies the accuracy of this balanced operating assumption during unbalanced operating conditions for both a simple two-bus system along with a more complex transmission and distribution co-simulation. This paper also characterizes the performance of different methods for translating the unbalanced voltage phasors into a balanced representation in order to give recommendations for modeling coupled transmission and distribution systems.

power distribution↗

Enhancing Properties with Distortion: A Comparative Study of Two Iron Phosphide Fe 2 P Polymorphs

Iron phosphide (Fe 2 P) crystallizes in its own hexagonal crystal structure type (h-Fe 2 P). As found in meteorites, orthorhombic polymorph (o-Fe 2 P) was originally reported as a high-temperature and high-pressure phase. Recently, o-Fe 2 P was described as being stable at ambient pressure, yet no synthetic methods were developed for single-crystal growth or single-phase bulk powder synthesis. Here, we report a successful method for growing o-Fe 2 P single crystals and synthesizing phase-pure polycrystalline samples using tin-flux. In situ powder X-ray diffraction studies showed that the phase transition from o-Fe 2 P to h-Fe 2 P occurs at about 873 K, and below that temperature, the formation of the o-Fe 2 P phase is favored thermodynamically rather than kinetically. Systematic comparison of transport, magnetic, and electrocatalytic properties of both h-Fe 2 P and o-Fe 2 P phases showed a substantial impact of the crystal structure on properties. The orthorhombic structural distortion resulted in considerable changes in magnetic properties, with the o-Fe 2 P phase exhibiting a 60% lower Fe magnetic moment and a substantially higher ferromagnetic Curie temperature than h-Fe 2 P. Further, electrochemical measurements toward the hydrogen evolution reaction in acidic media showed that the o-Fe 2 P phase requires an 80 mV lower overpotential than the h-Fe 2 P phase to generate a current density of -10 mA/cm 2 , and their electronic structures suggest that the higher density of states at the Fermi energy is the origin of superior catalytic activity in o-Fe 2 P.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The effect of chemically preintercalated alkali ions on the structure of layered titanates and their electrochemistry in aqueous energy storage systems

We introduce a novel chemical preintercalation synthesis technique based on a hydrogen peroxide induced sol–gel process to obtain alkali ion containing ternary layered titanates (MTO, where M = Li, Na, K). Synthesis parameters leading to the formation of single-phase materials with homogeneous elemental distribution are reported for each of the preintercalated ions. Our analyses indicate that the interlayer spacing in the structure of the layered titanates increases with the increase of the radius of the hydrated preintercalated ion. Scanning and transmission electron microscopy imaging revealed morphological diversity: the LTO phase crystallized as nanoplates assembled in “peony-like” spherical agglomerates while NTO and KTO particles exhibited a one-dimensional nanobelt or wire-like morphology, with the KTO nanobelts being shorter and more aggregated than the NTO nanobelts. Structural refinement corroborated by electron diffraction and high-resolution transmission electron microscopy revealed that the structure of the LTO phase is built by stacking Ti–O layers containing a single straight layer of connected TiO 6 octahedra. The layers in NTO and KTO structures form differently and consist of double Ti–O layers with two titanium rows and ragged arrangement of units built by TiO6 octahedra. The NTO electrodes exhibited the highest electrochemical performance in cells with aqueous 1 M Na 2 SO 4 electrolyte, followed by the KTO electrodes and then LTO electrodes, and this trend is maintained at various scan rates. The established relationships between the structure and electrochemical performance reveal that, in addition to interlayer distance and chemistry of the interlayer region, the structure of the layers can play an important role in charge storage properties of layered oxide electrodes. The double Ti–O layers in the structure of NTO and KTO phases provide a larger number of redox centers which could contribute to the superior electrochemical performance as compared to the LTO electrodes. Our findings indicate that layered materials containing double transition metal oxide layers are promising candidates for exfoliation and assembly with electronically conductive layers with the aim to create 2D heterostructures with high electrochemical performance.

25 ENERGY STORAGE↗

SILCC – VII. Gas kinematics and multiphase outflows of the simulated ISM at high gas surface densities

ABSTRACT We present magnetohydrodynamic (MHD) simulations of the star-forming multiphase interstellar medium (ISM) in stratified galactic patches with gas surface densities Σgas = 10, 30, 50, and 100 $\mathrm{M_\odot \, pc^{-2}}$. The silcc project simulation framework accounts for non-equilibrium thermal and chemical processes in the warm and cold ISM. The sink-based star formation and feedback model includes stellar winds, hydrogen-ionizing UV radiation, core-collapse supernovae, and cosmic ray (CR) injection and diffusion. The simulations follow the observed relation between Σgas and the star formation rate surface density ΣSFR. CRs qualitatively change the outflow phase structure. Without CRs, the outflows transition from a two-phase (warm and hot at 1 kpc) to a single-phase (hot at 2 kpc) structure. With CRs, the outflow always has three phases (cold, warm, and hot), dominated in mass by the warm phase. The impact of CRs on mass loading decreases for higher Σgas and the mass loading factors of the CR-supported outflows are of order unity independent of ΣSFR. Similar to observations, vertical velocity dispersions of the warm ionized medium (WIM) and the cold neutral medium (CNM) correlate with the star formation rate as $\sigma _\mathrm{z} \propto \Sigma _\mathrm{SFR}^a$, with a ∼ 0.20. In the absence of stellar feedback, we find no correlation. The velocity dispersion of the WIM is a factor ∼2.2 higher than that of the CNM, in agreement with local observations. For $\Sigma _\mathrm{SFR} \gtrsim 1.5 \times 10^{-2}\, \mathrm{M}_\odot \, \mathrm{yr}^{-1}\, \mathrm{kpc}^{-2}$ the WIM motions become supersonic.

Astronomy & Astrophysics↗

Improved Water Sound Synthesis using Coupled Bubbles

We introduce a practical framework for synthesizing bubble-based water sounds that captures the rich inter-bubble coupling effects responsible for low-frequency acoustic emissions from bubble clouds. We propose coupled-bubble oscillator models with regularized singularities, and techniques to reduce the computational cost of time stepping with dense, time-varying mass matrices. Airborne acoustic emissions are estimated using finite-difference time-domain (FDTD) methods. We propose a simple, analytical surface-acceleration model, and a sample-and-hold GPU wavesolver that is simple and faster than prior CPU wavesolvers. Sound synthesis results are demonstrated using bubbly flows from incompressible, two-phase simulations, as well as procedurally generated examples using single-phase FLIP fluid animations. Our results demonstrate sound simulations with hundreds of thousands of bubbles, and perceptually significant frequency transformations with fuller low-frequency content.

Computer Science↗

Misalignment Tolerant Three-phase Wireless Fast Charging System for Electric Vehicles

This project proposes improving the technology level of the three-phase wireless charging technology developed at Oak Ridge National Laboratory (ORNL). Successful commercialization of wireless charging systems require that they meet strict safety standards for electromagnetic field emissions and interoperability with other wireless charging technology. ORNL has previously demonstrated a 50kW three-phase wireless power transfer system with 95% efficiency. This prototype system weighed less than 50% of similar high-power wireless charging system while simultaneously exhibiting better safety characteristics. Due to better material utilization, the reduction in mass is expected to translate into similar cost reduction for the magnetic coupler. Additionally, the smaller footprint of the system can ease vehicle integration difficulties that would be encountered using other technology. Furthermore, the three-phase design can be made to operate with existing single-phase coupler design more easily and without intentional physical misalignment which would otherwise pose safety issues.This project developed ORNL’s WPT technology to satisfy the specifications and requirements for electric vehicle (EV) charging. The result of the project will be a prototype and reference design for a high-power wireless charging system—including magnetics, power electronics, and controls—serving as a baseline for product development.

33 ADVANCED PROPULSION SYSTEMS↗

Misalignment Tolerant Three-phase Wireless Fast Charging System for Electric Vehicles

This project proposes improving the technology level of the three-phase wireless charging technology developed at Oak Ridge National Laboratory (ORNL). Successful commercialization of wireless charging systems require that they meet strict safety standards for electromagnetic field emissions and interoperability with other wireless charging technology. ORNL has previously demonstrated a 50kW three-phase wireless power transfer system with 95% efficiency. This prototype system weighed less than 50% of similar high-power wireless charging system while simultaneously exhibiting better safety characteristics. Due to better material utilization, the reduction in mass is expected to translate into similar cost reduction for the magnetic coupler. Additionally, the smaller footprint of the system can ease vehicle integration difficulties that would be encountered using other technology. Furthermore, the three-phase design can be made to operate with existing single-phase coupler design more easily and without intentional physical misalignment which would otherwise pose safety issues. This project developed ORNL’s WPT technology to satisfy the specifications and requirements for electric vehicle (EV) charging. The result of the project will be a prototype and reference design for a high-power wireless charging system—including magnetics, power electronics, and controls—serving as a baseline for product development.

33 ADVANCED PROPULSION SYSTEMS↗

The influence of the processing parameters on the reactive flash sintering of ZrO 2 -CeO 2

Reactive flash sintering (RFS) is a method that was recently developed to produce dense single-phase bulk ceramic parts through solid-state reactions in a single-step that only takes a few minutes. The influence of the RFS parameters on the phase purity of a simple mixed oxide, (Zr 0.8 ,Ce 0.2 )O 2 , was investigated. Parameters such as furnace temperature, furnace atmosphere, electric current density, and alternating current (AC) or direct current (DC) were examined. It was found that (Zr 0.8 ,Ce 0.2 )O 2 pellets with high densities, above 90% of its theoretical density, can be produced by RFS in a few minutes when RFS occurs under oxidizing atmospheres, AC fields with current densities of 100 mA·mm –2 , and at a furnace temperature of 1200°C. Reducing conditions such as Ar-H 2 atmosphere and DC fields, low furnace temperatures, and low current densities resulted in phase impurities and poor reactions between the ZrO 2 and the CeO 2 powders. These results show that RFS is a useful method to produce mixed oxides, but it is very sensitive to the processing parameters. This is the first time that the influence of most of the RFS processing parameters has been studied systematically. Thus, the present work aims to provide guidelines on selecting the right processing parameters when exploring RFS.

36 MATERIALS SCIENCE↗

Crystallographic Study of Product Phases of Carbothermic Reduction and Nitridation of Hafnium Dioxide

Details of the carbothermic reduction/nitridation to synthesize hafnium nitride (HfN) and hafnium carbide (HfC) are scarce in the literature. Therefore, this current study was carried out to evaluate two pathways for synthesizing these two refractory materials: direct nitridation and carbothermic reduction/nitridation. Two mixtures of hafnium dioxide and carbon with C/HfO 2 molar ratios of 2.15 and 3.1 were nitridized directly using flowing nitrogen gas at elevated temperatures (1300–1700 °C). The 3.1 C/HfO 2 molar ratio mixture was also carbothermically reduced under flowing argon gas to synthesize HfC, which was converted into HfN by introducing a nitridation step under both N 2(g ) and N 2(g) -10% H 2(g) . X-ray diffraction results showed the formation of HfN at 1300 and 1400 °C and HfC 1–y N y at ≥1400 °C under direct nitridation of samples using a C/HfO 2 molar ratio of 2.15. These phase analysis data together with lower lattice strain and greater crystallite sizes of HfC 1–y N y that formed at higher temperatures suggested that the HfC 1–y N y phase is preferred over HfN at those temperatures. Carbothermic reduction of 3.1 C/HfO 2 molar ratio samples under an inert atmosphere produced single-phased HfC with no significant levels of dissolved oxygen. In conclusion, carbothermic reduction nitridation made two phases of different carbon levels (HfC 1–y N y and HfC 1–y 'N y ', where y' < y), while direct nitridation produced a single HfC 1–y N y phase under both N 2 and N 2 -10% H 2 cover gas environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗