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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Boundary conditions manipulation of polar vortex domains in BiFeO 3 membranes via phase-field simulations

Polar vortex domains have recently become an emergent research field due to the abundant physical phenomena and potential applications in high-density memories. Here, we explore the mechanisms of creating polar vortex domains in the BiFeO3 (BFO) membranes subjected to different boundary conditions using phase-field simulations. A major difference is that the vortex in membrane can be stabilized even under short-circuit electrical boundary conditions compared to vortex in other systems, such as thin film or superlattice. We found that (a) the formation of polar vortex domains at the membrane interior under bending is mainly driven by the reduction of elastic energy under short-circuit boundary condition, and the vortex chirality (namely, clockwise and counterclockwise) could be identified by n-shape and u-shape bending; (b) in the unbent open-circuit BFO membrane case, exotic trapezoid-shaped vortex nanodomains form at the terminations of 109 degrees domain walls (DWs) and partially charged 71 degrees DWs, which is driven by the local depolarization field and the interplay among electrostatic, elastic, and gradient and Landau energies. We also examine Kittel's law by establishing the dependence of vortex periods on the membrane thickness. Furthermore, these results give further understanding of the effect of boundary conditions on the formation of polar vortex domains, guiding experimental designs of vortex-based high-density memories.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Experimental study on rheological and settling properties of shape memory polymer for fracture sealing in geothermal formations

This article studies the rheology and annular flow of a smart lost circulation material (LCM) at 160 °C, using a high-temperature flow loop. The smart LCM is a shape memory polymer (SMP) that activates at high temperatures, and its particle size increases to seal fractures in geothermal formations. SMP was mixed with the base fluid in two different concentrations, 1.0 and 3.0 wt%, to study rheology, wellbore hydraulics, activation process, and settling behavior under different testing conditions. The results of this study showed that the SMP could be activated at high temperatures. An increase of 80–100% in the particle size was observed at 160 °C. The mud samples showed a high shear-thinning behavior at the two concentrations with a Power-law flow index (n) ranging between 0.025 and 0.101. No additional frictional pressure losses were observed when SMP was added to the base fluid. SMP particles showed an excellent suspension at 1.0 wt% while, at 3.0 wt%, a bed was formed at a low flow rate and without pipe rotation. Increasing the drill pipe rotational speed or flow rate effectively removed the bed and homogeneously dispersed the SMP particles, ensuring a better sealing efficiency. SMP particle dispersion in inclined wells was better than in horizontal wells. Moreover, the findings of this study help optimize the lost circulation treatment by considering a wide range of operating parameters that can further be extended to different systems and geometries.

02 PETROLEUM↗
DOE OSTI2022

Title Coherent X-ray Studies of Surface Growth and Patterning Processes

X-ray Photon Correlation Spectroscopy (XPCS) is being developed as a tool to study nanoscale dynamics of fluctuations during thin film growth and surface patterning. XPCS examines the evolution of the X-ray scattering speckle pattern in reciprocal space to reveal dynamics information not accessible through any other means. Unlike low-coherence conventional X-ray scattering, which incoherently averages over different regions of a sample, coherent X-ray scattering is sensitive to the detailed structure of a given sample at that moment in time. In thin film growth processes, heterodyning, which occurs due to coherent mixing of two scattered signals, can be used to investigate the relationship between surface growth velocity and defect propagation. And, for polycrystalline thin film growth, the spatial coherence of the X-ray beam can substitute for the missing spatial coherence of the growth process to track layered growth in detail, even in a growth regime in which there are no conventional growth oscillations of the X-ray intensity. This has opened the door for detailed dynamics studies of individual atomic layers during real-world growth and patterning, not just in perfect single-crystal growth cases, which greatly expands the applicability of in-situ X-ray scattering methods. Step-flow dynamics in mounded polycrystalline growth has been studied separately for two thin film organic semiconductors deposited by thermal deposition in a vacuum environment, C60 and diindenoperylene (DIP). Highly oriented polycrystalline thin films are readily obtained in both systems, where mounds are composed of crystalline monolayer-height steps and terraces in a so-called wedding cake morphology. The formation of mounds is understood to be due to significant Ehrlich-Schwoebel step edge barriers that inhibit molecules from hopping down from one layer to the one below. The mounds exhibit local step flow, which can be monitored using coherent X-ray scattering. This is made possible due to heterodyning between scattering from the average mounds and the moving steps, which becomes visible in XPCS analysis. The effect of desorption, i.e. re-evaporation of deposited molecules is found to be important for understanding these processes. The impact of this work is to enable testing of models of step dynamics, the shape of mounds, and merging of mounds to form continuous thin films. Highly ordered polycrystalline thin films deposited on inexpensive substrates have applications in thin film solar cells and other organic electronic devices. In a separate set of experiments, speckle analysis during self-organized ion beam nanopatterning reveals memory stretching back to the beginning of patterning in the early stages and enables measurement of the velocity of self-organized patterns across surfaces providing the possibility of stringent new tests of the theory of pattern formation and motion.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Measuring the Energy Consumption and Efficiency of Deep Neural Networks: An Empirical Analysis and Design Recommendations

Addressing the "Red-AI" trend of rising energy consumption by large-scale neural networks, this study investigates the measured energy consumption of training various fully connected neural network architectures. We introduce the BUTTER-E dataset, an augmentation to the BUTTER Empirical Deep Learning dataset, containing energy consumption and performance data from 41,129 individual experimental runs spanning 30,582 distinct configurations: 13 datasets, 20 sizes (trainable parameters), 8 "shapes", and 14 depths on both CPUs and GPUs using node-level watt-meters. This dataset reveals the complex relationship between dataset size, network structure, and energy use. Our analysis uncovers a surprising, hardware-mediated non-linear relationship between energy efficiency and network design, challenging the assumption that reducing the number of parameters or FLOPs is the best way to achieve greater energy efficiency. We propose a straightforward and effective energy model that accounts for network size, computing, and memory hierarchy. Highlighting the need for cache-considerate algorithm development, we suggest a codesign approach to energy efficient network, algorithm, and hardware design. This work contributes to the fields of sustainable computing and Green AI, offering practical guidance for creating more energy-efficient neural networks and promoting sustainable AI.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Fighting the climate crisis with caloric heat pumping: Innovations to enable widespread adoption

Caloric heat pumping is a cross-cutting thermal energy technology that can cover a wide range of applications and temperatures, from millikelvins to hundreds of kelvins, with a working medium that has zero global warming potential. The technology promises cost savings and high efficiency, having 60% Carnot efficiency demonstrated to date. The Energy Earthshots™ Initiative, launched by the U.S. Department of Energy, aims to fight the climate crisis and overcome technological barriers to a decarbonized economy. The initiative focuses on the development of energy solutions that increase efficiency, reduce greenhouse gas emissions, and ensure affordability. Three out of eight Energy Earthshots™ look for alternative thermal energy technologies for extensive temperature ranges, from hydrogen liquefaction to metal-treating temperatures. Caloric heat pumping can fulfill all these requirements; however, at the current stage, caloric systems have limited presence in real-world applications. Further, this perspective discusses key efforts to address barriers hindering the widespread adoption of caloric technology. We focus on essential breakthroughs in and effective approaches to material discovery and draw a path to high-power-density, grid-interactive caloric systems to support achieving the ambitious net-zero carbon economy goal.

42 ENGINEERING↗
DOE OSTI2025

Ultracoherent SRF Cavity-Based Multi-Qudit Platform with Error-Resilient Control

Superconducting radio-frequency (SRF) cavities offer a promising platform for quantum computing due to their long coherence times, yet integrating nonlinear elements like transmons for control often introduces additional loss. We report a multimode quantum system based on a 2-cell elliptical shaped SRF cavity, comprising two cavity modes weakly coupled to an ancillary transmon circuit, designed to preserve coherence while enabling efficient control of the cavity modes. We mitigate the detrimental effects of the transmon decoherence through careful design optimization that reduces transmon-cavity couplings and participation in the dielectric substrate and lossy interfaces, to achieve single-photon lifetimes of 20.6\,ms and 15.6\,ms for the two modes, and a pure dephasing time exceeding 40\,ms. This marks an order-of-magnitude improvement over prior 3D multimode memories. Leveraging sideband interactions and novel error-resilient protocols, including measurement-based correction and post-selection, we achieve high-fidelity control over quantum states. This enables the preparation of Fock states up to $N = 20$ with fidelities exceeding 95\%, the highest reported to date to the authors' knowledge, as well as two-mode entanglement with an estimated coherence-limited fidelities of 99.9\% after post-selection. These results establish our platform as a robust foundation for quantum information processing, allowing for future extensions to high-dimensional qudit encodings.

Kim, T. [Northwestern U.]↗
DOE OSTI2026

Ultracoherent superconducting cavity-based multiqudit platform with error-resilient control

Superconducting radio-frequency (SRF) cavities offer a promising platform for quantum computing due to their long coherence times, yet integrating nonlinear elements like transmons for control often introduces additional loss. We report a multimode quantum system based on a 2-cell elliptical-shaped SRF cavity, comprising two cavity modes weakly coupled to an ancillary transmon circuit, designed to preserve coherence while enabling efficient control of the cavity modes. We mitigate the detrimental effects of the transmon decoherence through careful design optimization that reduces transmon-cavity couplings and participation in the dielectric substrate and lossy interfaces, to achieve single-photon lifetimes of 20.6 ms and 15.6 ms for the two modes, and a pure dephasing time exceeding 40 ms. This marks an order-of-magnitude improvement over prior 3D multimode memories. Leveraging sideband interactions and novel error-resilient protocols, including measurement-based correction and post-selection, we achieve high-fidelity control over quantum states. This enables the preparation of Fock states up to N = 20 with fidelities exceeding 95%, the highest reported to date to the authors' knowledge, as well as two-mode entanglement with an estimated coherence-limited fidelities of 99.9% after post-selection. These results establish our platform as a robust foundation for quantum information processing, allowing for future extensions to high-dimensional qudit encodings.

Lu, Yao [Fermilab] (ORCID:000000020413698X)↗
DOE OSTI2026

Ultracoherent superconducting cavity-based multiqudit platform with error-resilient control

Superconducting radio-frequency (SRF) cavities offer a promising platform for quantum computing due to their long coherence times, yet integrating nonlinear elements like transmons for control often introduces additional loss. We report a multimode quantum system based on a 2-cell elliptical-shaped SRF cavity, comprising two cavity modes weakly coupled to an ancillary transmon circuit, designed to preserve coherence while enabling efficient control of the cavity modes. We mitigate the detrimental effects of the transmon decoherence through careful design optimization that reduces transmon-cavity couplings and participation in the dielectric substrate and lossy interfaces, to achieve single-photon lifetimes of 20.6 ms and 15.6 ms for the two modes, and a pure dephasing time exceeding 40 ms. This marks an order-of-magnitude improvement over prior 3D multimode memories. Leveraging sideband interactions and novel error-resilient protocols, including measurement-based correction and post-selection, we achieve high-fidelity control over quantum states. This enables the preparation of Fock states up to N = 20 with fidelities exceeding 95%, the highest reported to date to the authors' knowledge, as well as two-mode entanglement with an estimated coherence-limited fidelities of 99.9% after post-selection. These results establish our platform as a robust foundation for quantum information processing, allowing for future extensions to high-dimensional qudit encodings.

Lu, Yao [Fermilab] (ORCID:000000020413698X)↗
DOE OSTI2025

Ultracoherent superconducting cavity-based multiqudit platform with error-resilient control

Superconducting radio-frequency (SRF) cavities offer a promising platform for quantum computing due to their long coherence times, yet integrating nonlinear elements like transmons for control often introduces additional loss. We report a multimode quantum system based on a 2-cell elliptical shaped SRF cavity, comprising two cavity modes weakly coupled to an ancillary transmon circuit, designed to preserve coherence while enabling efficient control of the cavity modes. We mitigate the detrimental effects of the transmon decoherence through careful design optimization that reduces transmon-cavity couplings and participation in the dielectric substrate and lossy interfaces, to achieve single-photon lifetimes of 20.6 ms and 15.6 ms for the two modes, and a pure dephasing time exceeding 40 ms. This marks an order-of-magnitude improvement over prior 3D multimode memories. Leveraging sideband interactions and novel error-resilient protocols, including measurement-based correction and post-selection, we achieve high-fidelity control over quantum states. This enables the preparation of Fock states up to $N = 20$ with fidelities exceeding 95%, the highest reported to date to the authors' knowledge, as well as two-mode entanglement with an estimated coherence-limited fidelities of 99.9% after post-selection. These results establish our platform as a robust foundation for quantum information processing, allowing for future extensions to high-dimensional qudit encodings.

Kim, Taeyoon [Fermilab; Northwestern U.]↗
DOE OSTI2021

Penetration Through Slots in Overmoded Cavities

A resonant cavity undergoes three distinct behaviors with increasing frequency: 1) fundamental modes, localized in frequency with well defined modal distribution; 2) undermoded region, where modes are still separated, but are sufficiently perturbed by small imperfections that their spectral positions (and distributions) are statistical in nature; and 3) overmoded region, where modes overlap, field distributions follow stochastic distributions, and the slot acts as if in free space. Understanding the penetration through slots in the overmoded region is of great interest, and is the focus of this article. Since full-wave solvers may not be able to provide a timely answer for very high frequencies due to a lack of memory and/or computation resources, we develop bounding methods to estimate worst-case average and maximum fields within the cavity. Finally, after discussing the bounding formulation, we compare its results to full-wave simulations at the first, second, and third resonance supported by the slot in the case of a cylindrical cavity. Note that the bounding formulation indicates that results are nearly independent of cavity shape: only the cavity volume, frequency, and cavity quality factor affect the overmoded region, making this formulation a powerful tool to assess electromagnetic interference and electromagnetic compatibility effects within cavities.

overmoded cavity↗
DOE OSTI2023

A Fast Butterfly-Compressed Hadamard–Babich Integrator for High-Frequency Helmholtz Equations in Inhomogeneous Media with Arbitrary Sources

Here we present a butterfly-compressed representation of the Hadamard-Babich (HB) ansatz for the Green's function of the high-frequency Helmholtz equation in smooth inhomogeneous media. For a computational domain discretized with Nv discretization cells, the proposed algorithm first solves and tabulates the phase and HB coefficients via eikonal and transport equations with observation points and point sources located at the Chebyshev nodes using a set of much coarser computation grids, and then butterfly compresses the resulting HB interactions from all Nv cell centers to each other. The overall CPU time and memory requirement scale as O(Nv log2 Nv) for any bounded two-dimensional (2D) domains with arbitrary excitation sources. A direct extension of this scheme to bounded 3D domains yields an O(Nv4/3) CPU complexity, which can be further reduced to quasi-linear complexities with proposed remedies. The scheme can also efficiently handle scattering problems involving inclusions in inhomogeneous media. Although the current construction of our HB integrator does not accommodate caustics, the resulting HB integrator itself can be applied to certain sources, such as concave-shaped sources, to produce caustic effects. Compared to finite-difference frequency domain methods, the proposed HB integrator is free of numerical dispersion and requires fewer discretization points per wavelength. As a result, it can solve wave propagation problems well beyond the capability of existing solvers. Remarkably, the proposed scheme can accurately model wave propagation in 2D domains with 640 wavelengths per direction and in 3D domains with 54 wavelengths per direction on a state-of-the-art supercomputer at Lawrence Berkeley National Laboratory.

Hadamard--Babich ansatz↗
DOE OSTI2020

Distinctive exchange bias and unusual memory effects in magnetically compensated Pr 0.75 Gd 0.25 ScGe

Tuning the chemistry of materials often leads to discoveries of interesting phenomena that expand basic science and support practical applications. Here we show how different spin–orbit coupling in light and heavy lanthanides can be exploited to create complex magnetic ground states and thereby unusual spontaneous exchange bias (SEB), conventional exchange bias (CEB), and magnetic memory effects in almost ideally magnetically compensated Pr 0.75 Gd 0.25 ScGe, which is a representative of the PrScGe–GdScGe solid solution. We report the synthesis and detailed characterization of Pr 0.75 Gd 0.25 ScGe by X-ray powder diffraction, scanning electron microscopy, and magnetization measurements in magnetic fields up to 140 kOe. Partial substitution of a light lanthanide, Pr, with a heavy lanthanide, Gd, results in a complex magnetic ground state, which includes large spontaneous and conventional exchange biases reaching magnitudes of ~1.7 kOe and ~3.5 kOe, respectively, at T = 2 K, as well as shape dependent magnetic compensation and bias phenomena occurring in small external fields.

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

Curvature Memory in Electrically Stimulated Lipid Membranes

Here, we demonstrate, using non-equilibrium molecular dynamics simulations, that lipid membrane capacitance varies with surface charge accumulation linked to membrane shape and curvature changes. Specifically, we show that lipid membranes exhibit a hysteretic response when exposed to oscillatory electric fields. The electromechanical coupling in these membranes leads to hysteretic buckling, in which the membrane can spontaneously buckle in one of two distinct directions along the electric field, even for the same ionic charge accumulation at the water–membrane interface. In this regard, these binary buckled membrane states suggest potential applications in neuromorphic computing. Their bistable nature, characterized by two distinct and stable configurations, could serve as a foundation for implementing memory storage systems and logic operations. Furthermore, we introduce a circuit model that captures these dynamic effects, offering insights into emergent memory effects in electrically stimulated lipid membranes. Finally, this work presents lipid bilayers as dynamic, adaptable elements and suggests a new platform for exploring energy storage, information processing, and memory encoding at the lipid membrane level.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Processability and Material Behavior of NiTi Shape Memory Alloys Using Wire Laser-Directed Energy Deposition (WL-DED)

Utilizing additive manufacturing (AM) techniques with shape memory alloys (SMAs) like NiTi shows great promise for fabricating highly flexible and functionally superior 3D metallic structures. Compared to methods relying on powder feedstocks, wire-based additive manufacturing processes provide a viable alternative, addressing challenges such as chemical composition instability, material availability, higher feedstock costs, and limitations on part size while simplifying process development. This study presented a novel approach by thoroughly assessing the printability of Ni-rich Ni55.94Ti (Wt. %) SMA using the wire laser-directed energy deposition (WL-DED) technique, addressing the existing knowledge gap regarding the laser wire-feed metal additive manufacturing of NiTi alloys. For the first time, the impact of processing parameters—specifically laser power (400–1000 W) and transverse speed (300–900 mm/min)—on single-track fabrication using NiTi wires in the WL-DED process was examined. An optimal range of process parameters was determined to achieve high-quality prints with minimal defects, such as wire dripping, stubbing, and overfilling. Building upon these findings, we printed five distinct cubes, demonstrating the feasibility of producing nearly porosity-free specimens. Notably, this study investigated the effect of energy density on the printed part density, impurity pick-up, transformation temperature, and hardness of the manufactured NiTi cubes. The results from the cube study demonstrated that varying energy densities (46.66–70 J/mm3) significantly affected the quality of the deposits. Lower to intermediate energy densities achieved high relative densities (>99%) and favorable phase transformation temperatures. In contrast, higher energy densities led to instability in melt pool shape, increased porosity, and discrepancies in phase transformation temperatures. These findings highlighted the critical role of precise parameter control in achieving functional NiTi parts and offer valuable insights for advancing AM techniques in fabricating larger high-quality NiTi components. Additionally, our research highlighted important considerations for civil engineering applications, particularly in the development of seismic dampers for energy dissipation in structures, offering a promising solution for enhancing structural performance and energy management in critical infrastructure.

Dabbaghi, Hediyeh↗
DOE OSTI2020

High performance Nb/TiNi nanocomposites produced by packaged accumulative roll bonding

Taking full advantage of intrinsic high strength of nano-reinforcements has been proven difficult in a composite until the concept of strain matching was experimental verified in a nanowire Nb/TiNi in-situ composite, which was obtained via solidifying eutectic Nb/TiNi and subsequent severe wire drawing. However, the volume fraction of the nano-reinforcement was dictated by eutectic reaction, which severely limited the development of high-performance composites. Here, the martensitic transformation nanocomposites were successfully acquired with increased volume fraction and changeable morphology of the nano-reinforcement through hot packaged ARB (PARB) and subsequent wire drawing. The nano-reinforcement with lamellar configuration in the composite could exhibit a large lattice strain of similar to 3.8%, which demonstrated the applicability and effectiveness of the strain matching principle in nano-lamellar composite. The obtained composites show a yield strength over 2.0 GPa and a quasi-linear elastic strain as larger as similar to 6.5% with adjustable apparent elastic modulus from 30 to 50 GPa.

42 ENGINEERING↗
DOE OSTI2022

Editorial: Generation, detection and manipulation of skyrmions in magnetic nanostructures

Due to their compact shape and small size down to a few nanometers, good thermal stability, and low driven current density, magnetic skyrmions have become promising building blocks for high-density storage and fast information processing applications. In a dozen years, this field dubbed as skyrmionics has attracted significant attention for exploring fundamental physics as well as for practical applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Anisotropic MagnetoMemristance

Abstract In the last decade, nanoscale resistive devices with memory have been the subject of intense study because of their possible use in brain-inspired computing. However, operational endurance is one of the limiting factors in the adoption of such technology. For this reason, we discuss the emergence of current-induced memristance in magnetic materials, known for their durability. We show analytically and numerically that a single ferromagnetic layer can possess GHz memristance, due to a combination of two factors: a current-induced transfer of angular momentum (Zhang-Li torque) and the anisotropic magnetoresistance (AMR). We term the resulting effect the anisotropic magneto-memristance (AMM). We connect the AMM to the topology of the magnetization state, within a simple model of a one-dimensional annulus-shaped magnetic layer, confirming the analytical results with micromagnetic simulations for permalloy. Our results open a new path towards the realization of single-layer magnetic memristive devices operating at GHz frequencies.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Effective Landau-type model of a Hf x Zr 1 - x O 2 -graphene nanostructure

Here, to describe the charge-polarization coupling in the nanostructure formed by a thin Hf x Zr 1-x O 2 film with a single-layer graphene as a top electrode, we develop the “effective” Landau-Ginzburg-Devonshire model. This approach is based on the parametrization of the Landau expansion coefficients for the polar (FE) and antipolar (AFE) orderings in thin Hf 1-x Zr x O 2 films from a limited number of polarization-field curves and hysteresis loops. The Landau expansion coefficients are nonlinearly dependent on the film thickness h and Zr/[Hf+Zr] ratio x, in contrast to h-independent and linearly x-dependent expansion coefficients of a classical Landau energy. We explain the dependence of the Landau expansion coefficients by the strong nonmonotonic dependence of the Hf 1-x Zr x O 2 film polar properties on the film thickness, grain size and surface energy. The proposed Landau free energy with five “effective” expansion coefficients, which are interpolation functions of x and h, describes the continuous transformation of polarization dependences on applied electric field and hysteresis loop shapes induced by the changes of x and h in the range 0 < x < 1 and 5 nm < h < 35 nm. Using the effective free energy, we demonstrated that the polarization of Hf 1-x Zr x O 2 film influences strongly on the graphene conductivity, and the full correlation between the distribution of polarization and charge carriers in graphene is revealed. In accordance with our modeling, the polarization of the (5 – 25) nm thick Hf 1-x Zr x O 2 films, which are in the ferroelectric-like or antiferroelectric-like states for the chemical compositions 0.35 ≤ x ≤ 0.95, determine the concentration of carriers in graphene and can control its field dependence. The result can be promising for creation of next generation Si-compatible nonvolatile memories and graphene-ferroelectric FETs, because the working voltages applied to the Hf 1-x Zr x O 2 film (which acts as a gate) can be relatively low (less than 2 V). These low voltages are sufficient to induce the pronounced hysteresis of ferroelectric polarization in the Hf 1-x Zr x O 2 gate, which, due to the strong electric coupling, induces the hysteresis of the graphene charge.

36 MATERIALS SCIENCE↗