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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 829 records · Page 46

Heat Transport Hysteresis Generated Through Frequency Switching of a Time-Dependent Temperature Gradient

A stochastic energetics framework is applied to examine how periodically shifting the frequency of a time-dependent oscillating temperature gradient affects heat transport in a nanoscale molecular model. We specifically examine the effects that frequency switching, i.e., instantaneously changing the oscillation frequency of the temperature gradient, has on the shape of the heat transport hysteresis curves generated by a particle connected to two thermal baths, each with a temperature that is oscillating in time. Analytical expressions are derived for the energy fluxes in/out of the system and the baths, with excellent agreement observed between the analytical expressions and the results from nonequilibrium molecular dynamics simulations. We find that the shape of the heat transport hysteresis curves can be significantly altered by shifting the frequency between fast and slow oscillation regimes. We also observe the emergence of features in the hysteresis curves such as pinched loops and complex multi-loop patterns due to the frequency shifting. The presented results have implications in the design of thermal neuromorphic devices such as thermal memristors and thermal memcapacitors.

36 MATERIALS SCIENCE↗

Controlling topology through targeted composite symmetry manipulation in magnetic systems

The possibility of selecting magnetic space groups by orienting the magnetization direction or tuning magnetic orders offers a vast playground for engineering symmetry-protected topological phases in magnetic materials. In this work, we study how selective tuning of symmetry and magnetism can influence and control the resulting topology in a two-dimensional magnetic system, and we illustrate such a procedure in the ferromagnetic monolayer MnPSe 3 . Density functional theory calculations reveal a symmetry-protected accidental semimetallic (SM) phase for out-of-plane magnetization, which becomes an insulator when the magnetization is tilted in-plane, reaching band-gap values close to 100 meV. We identify an order-2 composite antiunitary symmetry and threefold rotational symmetry that induce the band crossing, and we classify the possible topological phases using symmetry analysis, which we support with tight-binding and k · p models. Breaking of inversion symmetry opens a gap in the SM phase, giving rise to a Chern insulator. We demonstrate this explicitly in the isostructural Janus compound Mn 2 ⁢P 2 ⁢S 3 ⁢Se 3 , which naturally exhibits Rashba spin-orbit coupling that breaks inversion symmetry. Our results map out the phase space of topological properties of ferromagnetic transition-metal phosphorus trichalcogenides, and they demonstrate the potential of the magnetization-dependent metal-to-insulator transition as a spin switch in integrated two-dimensional electronics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Electrode Erosion and Prefire Studies Towards Fusion Scale Pulsed Power

This study presents a comprehensive investigation of electrode erosion and discharge behavior in spark gap switches over long switching cycle lifetimes. Brass, copper–tungsten (CuW), and stainless steel electrodes are tested under controlled conditions to quantify material degradation, debris accumulation, and changes in breakdown voltage. High-resolution imaging and statistical analysis of spark channel locations and gap breakdown voltages reveal how surface evolution influences long-term performance and reliability. These results provide essential data for lifetime modeling and inform design strategies for pulsed power systems in emerging applications such as private sector fusion energy and large-scale facilities like Sandia’s Z Machine and proposed ZX upgrades, where high repetition reliability and predictable behavior are critical.

electrical breakdown↗

A fast and large bandwidth superconducting variable coupler

Variable microwave-frequency couplers are highly useful components in classical communication systems and likely will play an important role in quantum communication applications. Conventional semiconductor-based microwave couplers have been used with superconducting quantum circuits, enabling, for example, the in situ measurements of multiple devices via a common readout chain. However, the semiconducting elements are lossy and furthermore dissipate energy when switched, making them unsuitable for cryogenic applications requiring rapid, repeated switching. Superconducting Josephson junction-based couplers can be designed for dissipation-free operation with fast switching and are easily integrated with superconducting quantum circuits. These enable on-chip, quantum-coherent routing of microwave photons, providing an appealing alternative to semiconductor switches. Here, we present and characterize a chip-based broadband microwave variable coupler, tunable over 4-8GHz with over 1.5GHz instantaneous bandwidth, based on the superconducting quantum interference device with two parallel Josephson junctions. The coupler is dissipation-free and features large on-off ratios in excess of 40dB, and the coupling can be changed in about 10ns. The simple design presented here can be readily integrated with superconducting qubit circuits and can be easily generalized to realize a four- or more port device.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

SDN-Based Smart Cyber Switching (SCS) for Cyber Restoration of a Digital Substation

In recent years, critical infrastructure and power grids have increasingly been targets of cyber-attacks, causing widespread and extended blackouts. Digital substations are particularly vulnerable to such cyber incursions, jeopardizing grid stability. This paper addresses these risks by proposing a cybersecurity framework that leverages software-defined networking (SDN) to bolster the resilience of substations based on the IEC- 61850 standard. The research introduces a strategy involving smart cyber switching (SCS) for mitigation and concurrent intelligent electronic device (CIED) for restoration, ensuring ongoing operational integrity and cybersecurity within a substation. The SCS framework improves the physical network’s behavior (i.e., leveraging commercial SDN capabilities) by incorporating an adaptive port controller (APC) module for dynamic port management and an intrusion detection system (IDS) to detect and counteract malicious IEC-61850-based sampled value (SV) and generic object-oriented system event (GOOSE) messages within the substation’s communication network. The framework’s effectiveness is validated through comprehensive simulations and a hardware-in-the-loop (HIL) testbed, demonstrating its ability to sustain substation operations during cyber-attacks and significantly improve the overall resilience of the power grid.

Liu, Chen-Ching (ORCID:0000000289417958)↗

Restoration Strategy for Active Distribution Systems Considering Endogenous Uncertainty in Cold Load Pickup

Cold load pickup (CLPU) phenomenon is identified as the persistent power inrush upon a sudden load pickup after an outage. Under the active distribution system (ADS) paradigm, where distributed energy resources (DERs) are extensively installed, the decreased outage duration can induce a strong interdependence between CLPU pattern and load pickup decisions. In this paper, we propose a novel modelling technique to tractably capture the decision-dependent uncertainty (DDU) inherent in the CLPU process. Subsequently, a two-stage stochastic decision-dependent service restoration (SDDSR) model is constructed, where first stage searches for the optimal switching sequences to decide step-wise network topology, and the second stage optimizes the detailed generation schedule of DERs as well as the energization of switchable loads. Further, to tackle the computational burdens introduced by mixed-integer recourse, the progressive hedging algorithm (PHA) is utilized to decompose the original model into scenario-wise subproblems that can be solved in parallel. The numerical test on modified IEEE 123-node test feeders has verified the efficiency of our proposed SDDSR model and provided fresh insights into the monetary and secure values of DDU quantification.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Adaptive Time-Division Multiplexing Driving System for Solid State Lighting with Multiple Tunable Channels

Next generation solid state lighting enables unlimited control of light and serve much broader functions beyond the basic lighting for illuminance. The emerging lighting for productivity, well-being, healthcare, and growth have revolutionized the scope of lighting. To empower this unlimited controllability, a multi-channel tunable power-electronics driver is essential but has not been satisfactorily addressed so far. Existing solutions are lossy, large, and expensive, due to introduction of additional buck power conversion stages. This paper proposes a time-division multiplexing (TDM) LED driving system which eliminates those buck stages. The proposed design can directly pair with off-the-shelf pulse width modulated (PWM) controllers and since it inherits entire feature sets, it can achieve low loss at standby and at dimmed condition. The simple analog implementation avoids usage of expensive DSPs/MCU. GaN’s high switching frequency capability can push up the multiplexing frequency so a GaN-based flyback was built and proved the concept.

Xue, Lincoln↗

The Upgrade of the SNS Extraction Kicker Power Supplies for the Proton Power Upgrade

The Proton Power Upgrade (PPU) project at the Spallation Neutron Source (SNS) aims to enhance the linear accelerator's power output from 1.4 to 2.8 megawatts. A critical focus lies on upgrading the Extraction Kicker Power Supplies to handle the amplified beam power. The existing capacitor charging power supplies lacked the capability to charge the Blumlein-type Pulse Forming Network (PFN) to the required 40 kV at a repetition rate of 60 Hz. To address this limitation, an initial solution involving the use of a resonant charging circuit was proposed. However, a challenge arose with a self-firing issue in the thyristor switch, which proved unsolvable within the given timeframe. Facing a critical decision point in the project, an alternative approach was explored: integrating a supplementary power supply to enhance the overall power capacity. This solution was tested and ultimately chosen as the path forward. To accommodate the additional power supply, the power distribution system had to undergo upgrades. Throughout this endeavor, a comprehensive examination of the system took place, with meticulous identification of key components. This paper delves into the technical challenges encountered during the process and the corresponding solutions that were implemented.

Tan, Yugang [ORNL] (ORCID:0000000155968252)↗

Emergent ferroelectricity in subnanometer binary oxide films on silicon

The critical size limit of voltage-switchable electric dipoles has extensive implications for energy-efficient electronics, underlying the importance of ferroelectric order stabilized at reduced dimensionality. Here, we report on the thickness-dependent antiferroelectric-to-ferroelectric phase transition in zirconium dioxide (ZrO 2 ) thin films on silicon. The emergent ferroelectricity and hysteretic polarization switching in ultrathin ZrO 2 , conventionally a paraelectric material, notably persists down to a film thickness of 5 angstroms, the fluorite-structure unit-cell size. This approach to exploit three-dimensional centrosymmetric materials deposited down to the two-dimensional thickness limit, particularly within this model fluorite-structure system that possesses unconventional ferroelectric size effects, offers substantial promise for electronics, demonstrated by proof-of-principle atomic-scale nonvolatile ferroelectric memory on silicon. Additionally, it is also indicative of hidden electronic phenomena that are achievable across a wide class of simple binary materials.

42 ENGINEERING↗

Chiral, Topological, and Knotted Colloids in Liquid Crystals

The geometric shape, symmetry, and topology of colloidal particles often allow for controlling colloidal phase behavior and physical properties of these soft matter systems. In liquid crystalline dispersions, colloidal particles with low symmetry and nontrivial topology of surface confinement are of particular interest, including surfaces shaped as handlebodies, spirals, knots, multi-component links, and so on. These types of colloidal surfaces induce topologically nontrivial three-dimensional director field configurations and topological defects. Director switching by electric fields, laser tweezing of defects, and local photo-thermal melting of the liquid crystal host medium promote transformations among many stable and metastable particle-induced director configurations that can be revealed by means of direct label-free three-dimensional nonlinear optical imaging. The interplay between topologies of colloidal surfaces, director fields, and defects is found to show a number of unexpected features, such as knotting and linking of line defects, often uniquely arising from the nonpolar nature of the nematic director field. This review article highlights fascinating examples of new physical behavior arising from the interplay of nematic molecular order and both chiral symmetry and topology of colloidal inclusions within the nematic host. Furthermore, the article concludes with a brief discussion of how these findings may lay the groundwork for new types of topology-dictated self-assembly in soft condensed matter leading to novel mesostructured composite materials, as well as for experimental insights into the pure-math aspects of low-dimensional topology.

chirality↗

Effective spin-mixing conductance of topological-insulator/ferromagnet and heavy-metal/ferromagnet spin-orbit-coupled interfaces: A first-principles Floquet-nonequilibrium Green function approach

The spin-mixing conductance (SMC) is a key quantity determining efficiency of spin transport across interfaces. Thus, knowledge of its precise value is required for accurate measurement of parameters quantifying numerous effects in spintronics, such as spin-orbit torque, spin Hall magnetoresistance, spin Hall effect, and spin pumping. However, the standard expression for SMC, provided by the scattering theory in terms of the reflection probability amplitudes, is inapplicable when strong spin-orbit coupling (SOC) is present directly at the interface. This is the precisely the case of topological-insulator/ferromagnet and heavy-metal/ferromagnet interfaces of great contemporary interest. We introduce an approach where first-principles Hamiltonian of these interfaces, obtained from noncollinear density functional theory (ncDFT) calculations, is combined with charge-conserving Floquet-nonequilibrium-Green-function formalism to compute directly the pumped spin current $I^{S_z}_L$ into semi-infinite left lead of two-terminal heterostructures Cu/X/Co/Cu or Y/Co/Cu—where X = Bi 2 Se 3 and Y = Pt or W—due to microwave-driven steadily precessing magnetization of the Co layer. This allows us to extract an effective SMC as a prefactor in $I^{S_z}_L$ versus precession cone angle θ dependence, as long as it remains the same, $I^{S_z}$ ∝ sin 2 θ , as in the case where SOC is absent. By comparing calculations where SOC in switched off versus switched on in ncDFT calculations, we find that SOC consistently reduces the pumped spin current and therefore the effective SMC.

36 MATERIALS SCIENCE↗

Electric Drive Technologies Research: ELT223 Component Modeling, Co-Optimization, and Trade-Space Evaluation Annual Report

This project is intended to support the development of new traction drive systems that meet the targets of 100 kW/L for power electronics and 50 kW/L for electric machines with reliable operation to 300,000 miles. To meet these goals, new designs must be identified that make use of state-of-the-art and next-generation electronic materials and design methods. Designs must exploit synergies between components, for example converters designed for high-frequency switching using wide band gap (WBG) devices and ceramic capacitors. This project included: (1) a survey of available technologies; (2) investigating new technologies, that for example, reduce volume of thermal management or magnetic components; (3) the development of computer aided design tools that consider the converter volume, reliability, and electrical performance; (4) exercising the design software to evaluate performance gaps and predict the impact of certain technologies and design approaches, i.e. GaN semiconductors, ceramic capacitors, ceramic thermal management components, and select topologies; (5) building and testing hardware prototypes to validate models and concepts. The design tools enable co-optimization of the power module and passive elements and provide some design guidance. At the end of the project, new advanced computing methods, such as machine learning approaches, were considered.

33 ADVANCED PROPULSION SYSTEMS↗

Cosolvent-tuned interactions in ionic liquids: A vibrational and quantum-chemical study of ethylene glycol ratio effects

Ionic liquids (ILs) are attractive media for CO 2 capture but remain limited by viscosity and cost. Blending ILs with ethylene glycol (EG) is a practical route to mitigate these constraints, yet the molecular origins of cosolvent effects and their dependence on composition are not well resolved. We combine Fourier-transform infrared (FT-IR) spectroscopy with quantum-chemical (DFT) analysis to elucidate how the IL:EG molar ratio modulates intermolecular interactions and electronic structure. Computed vibrational frequencies enable mode assignment and deconvolution of overlapping bands, revealing systematic, ratio-dependent shifts and broadenings in (i) EG O–H stretching, (ii) cation and EG C–H stretchings (imidazolium C2–H, C4–H, C5–H, methyl and ethyl groups, -CH2 of EG), (iii) anion signature modes (e.g., CN motifs), and (iv) EG C–O and C–C stretchings, consistent with the redistribution of hydrogen-bonding networks. Molecular electrostatic potential (MESP) maps quantify attenuation of extreme potential regions with increasing EG, indicating progressive screening of cation–anion electrostatic interactions. Quantum Theory of Atoms in Molecules (QTAIM) identifies emergent bond critical points between EG and the IL ions, while Reduced Density Gradient–Noncovalent Interaction (RDG–NCI) analysis differentiates strong directional hydrogen bonds from dispersive contacts across compositions. Together, these results show that EG fraction controls a switch from predominantly ion–ion to mixed ion–EG coordination, altering local polarity and polarizability that underlie the observed FT-IR trends. The framework provides composition–structure–spectrum relationships that can guide rational selection of IL:EG ratios to balance favorable molecular interactions with practical performance targets in scalable CO 2 capture systems.

DAC↗

Predictive Design of Hybrid Improper Ferroelectric Double Perovskite Oxides

The computational design of suitable multiferroic double perovskite oxides requires finding materials that exhibit sizable polarization, magnetization, and coupling between them. Oxides with the chemical formula of AA'BB'O 6 with building blocks of ABO 3 single perovskite oxides in centrosymmetric Pnma symmetry are strong candidates that have been reported to satisfy such criteria. The system lowers to noncentrosymmetric, polar P2 1 symmetry if A/A' layered and B/B' rocksalt cation orderings are imposed. A detailed compositional search over a variety of chemical spaces followed by evaluating their polarization may lead to the identification of more of these compounds with ferroelectric ordering. The standard density functional theory practices to estimate polarization within the Berry phase formalism require the systems to be perfectly insulating. The number of compounds that can be evaluated using this method is therefore limited. In this work, we introduce a predictive learning strategy based on importance sampling to build a series of machine learning models using results from first-principles simulations to predict polarization and the corresponding switching barrier. The geometry-driven features related to charge states and cationic radii play key roles in predicting the switching barrier with complementary contributions from the key structural mode-based order parameters. These modes become important to draw reasonable predictions of polarization components from machine learning models. In conclusion, our predictive models identify candidates with high polarizations and low switching barriers from a pool of double perovskite oxides, suitable for future investigation for their potential applications in spintronic devices.

36 MATERIALS SCIENCE↗

Effect of atom substitutions on the magnetic properties in Ce 2 Fe 17 : Toward permanent magnet applications

Due to the rapidly developing technologies and huge market demand, there has been increasing interest internationally in exploring permanent magnet formulations in addition to the well-known Nd 2 Fe 14 B and SmCo 5 /Sm 2 Co 17 . Given Fe's low materials cost and generally high magnetization, Fe-rich rare earth binaries such as Ce 2 Fe 17 comprise a rich “hunting ground” for such new materials. While this compound suffers from a low ordering point and is a heli magnet, these difficulties are easily remedied by the substitution of appropriate amounts of cobalt for Fe, with room-temperature saturation magnetization as high as 1.5 T. In this work, we try to switch the all-important magnetic anisotropy from planar to uniaxial behavior in Ce 2 Fe 17 via 18 h - and 6 c -type atom substitutions with Si, Ir, and numerous other atoms. The uniaxial magnetocrystalline anisotropy is successfully achieved in the 6 c -site-substituted Ce 2 Fe 15 Ir 2 systems, along with large magnetization. We find that iridium substitution, in particular, induces a substantial uniaxial anisotropy of 11.25 MJ/m 3 , which is comparable to most of the current rare earth permanent magnets. Although the iridium substitution is costly, the finding of Ir-triggered uniaxial magnetic anisotropy indicates the potential of Ce–Fe-based alloys for permanent magnets.

36 MATERIALS SCIENCE↗

Magnetoelectric Composites: Applications, Coupling Mechanisms, and Future Directions

Multiferroic (MF)-magnetoelectric (ME) composites, which integrate magnetic and ferroelectric materials, exhibit a higher operational temperature (above room temperature) and superior (several orders of magnitude) ME coupling when compared to single-phase multiferroic materials. Room temperature control and the switching of magnetic properties via an electric field and electrical properties by a magnetic field has motivated research towards the goal of realizing ultralow power and multifunctional nano (micro) electronic devices. Here, some of the leading applications for magnetoelectric composites are reviewed, and the mechanisms and nature of ME coupling in artificial composite systems are discussed. Ways to enhance the ME coupling and other physical properties are also demonstrated. Finally, emphasis is given to the important open questions and future directions in this field, where new breakthroughs could have a significant impact in transforming scientific discoveries to practical device applications, which can be well-controlled both magnetically and electrically.

36 MATERIALS SCIENCE↗