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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Deterministic Fabrication of Large-Area, High-Crystallinity Oxide Moiré Superlattices

Oxide twistronics extends moiré engineering beyond van der Waals materials, offering a promising platform for accessing emergent interfacial phenomena arising from the strong coupling of lattice, charge, and orbital degrees of freedom in complex oxides. However, deterministic fabrication of high-crystallinity oxide moiré superlattices over large lateral dimensions remains challenging due to the three-dimensional bonding network of oxides. Here, we demonstrate a scalable, generalized fabrication strategy that enables the formation of high-crystallinity oxide moiré superlattices with clean, chemically bonded interfaces and precisely controlled twist angles down to nominal values of 0.1°, achieving subdegree twist-angle accuracy across large contiguous lateral dimensions approaching the millimeter scale. Using NaNbO3 as a model system, we show that the resulting interlayer coupling drives pronounced structural reconstruction that modifies both the phase structure and ferroelectric domain configuration. Synchrotron-based X-ray 3D reciprocal space mapping reveals the emergence of a single-phase state in twisted bilayers, in contrast to the mixed-phase structure observed in single-layer membranes prior to twist assembly. The structural signatures are further consistent with gradual lattice rotation distributed along the thickness direction that may accommodate interfacial shear strain, distinct from reconstruction observed in van der Waals moiré systems which primarily occurs through in-plane stacking rearrangement. This collective lattice response is correlated with twist-dependent nanoscale electromechanical modulations observed by piezoresponse force microscopy. These results establish a scalable materials platform for oxide twistronics and support the implementation of twist-engineered functionalities in practical, macroscale device architectures.

Ghanbari, Reza [North Carolina State University (N↗
DOE OSTI2021

Twin-boundary-mediated flexoelectricity in LaAlO 3

Flexoelectricity has garnered much attention owing to its ability to bring electromechanical functionality to nonpiezoelectric materials and its nanoscale significance. In order to move towards a more complete understanding of this phenomenon and improve the efficacy of flexoelectric-based devices, it is necessary to quantify microstructural contributions to flexoelectricity. Here we directly measure the flexoelectric response of bulk centrosymmetric LaAlO 3 crystals with different twin-boundary microstructures. We show that twin-boundary flexoelectric contributions are comparable to intrinsic contributions at room temperature and enhance the flexoelectric response by ~4× at elevated temperatures. Additionally, we observe time-dependent and nonlinear flexoelectric responses associated with strain-gradient-induced twin-boundary polarization. Finally, these results are explained by considering the interplay between twin-boundary orientation, beam-bending strain fields, and pinning site interactions, and directly demonstrate that macroscopic flexoelectric responses are very sensitive to structural defects.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Tunable electroresistance and electro-optic effects of transparent molecular ferroelectrics

Recent progress in molecular ferroelectrics (MOFEs) has been overshadowed by the lack of high-quality thin films for device integration. We report a water-based air-processable technique to prepare large-area MOFE thin films, controlled by supersaturation growth at the liquid-air interface under a temperature gradient and external water partial pressure. We used this technique to fabricate ImClO4 thin films and found a large, tunable room temperature electroresistance: a 20-fold resistance variation upon polarization switching. The as-grown films are transparent and consist of a bamboo-like structure of ($2,\overline{1},0$) and ($1,0,\overline{2}$) structural variants of R3m symmetry with a reversible polarization of 6.7 μC/cm 2 . The resulting ferroelectric domain structure leads to a reversible electromechanical response of d 33 = 38.8 pm/V. Polarization switching results in a change of the refractive index, n, of single domains, $\frac{Δn}{n}$ = 0.3. The remarkable combination of these characteristics renders MOFEs a prime candidate material for new nanoelectronic devices. The information that we present in this work will open a new area of MOFE thin-film technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Fabrication and characterization of GaN nanowire doubly clamped resonators

Gallium nitride (GaN) nanowires (NWs) have been intensely researched as building blocks for nanoscale electronic and photonic device applications; however, the mechanical properties of GaN nanostructures have not been explored in detail. The rigidity, thermal stability, and piezoelectric properties of GaN make it an interesting candidate for nano-electromechanical systems. We have fabricated doubly clamped GaN NW electromechanical resonators on sapphire using electron beam lithography and estimated the Young's modulus of GaN from resonance frequency measurements. For wires of triangular cross section with side ∼90 nm, we obtained values for the Young's modulus to be about 218 and 691 GPa, which are of the same order of magnitude as the values reported for bulk GaN. We also discuss the role of residual strain in the nanowire on the resonant frequency and the orientation dependence of the Young's modulus in wurtzite crystals.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Dynamic Phase Engineering of Bendable Transition Metal Dichalcogenide Monolayers

Current interest in two-dimensional (2D) materials is driven in part by the ability to dramatically alter their optoelectronic properties through strain and phase engineering. A combination of these approaches can be applied in quasi-2D transition metal dichalcogenide (TMD) monolayers to induce displacive structural transformations between semiconducting (H) and metallic/semimetallic (T') phases. We classify such transformations in Group VI TMDs, and formulate a multiscale, first-principles-informed modeling framework to describe evolution of microstructural domain morphologies in elastically bendable 2D monolayers. We demonstrate that morphology and mechanical response can be controlled via application of strain either uniformly or through local probes to generate functionally patterned conductive T' domains. Such systems form dynamically programmable electromechanical 2D materials, capable of rapid local switching between domains with qualitatively different transport properties. Finally, this enables dynamic “drawing” of localized conducting regions in an otherwise semiconducting TMD monolayer, opening several interesting device-relevant functionalities such as the ability to dynamically “rewire” a device in real time.

2D materials↗
DOE OSTI2015

Theoretical analysis of surface acoustic wave propagating properties of Y-cut nano lithium niobate film on silicon dioxide

The surface acoustic wave (SAW) propagating characteristics of Y-cut nano LiNbO{sub 3} (LN) film on SiO{sub 2}/LN substrate have been theoretically calculated. The simulated results showed a shear horizontal (SH) SAW with enhanced electromechanical coupling factor K{sup 2} owing to a dimensional effect of the nanoscale LN film. However, a Rayleigh SAW and two other resonances related to thickness vibrations caused spurious responses for wideband SAW devices. These spurious waves could be fully suppressed by properly controlling structural parameters including the electrode layer height, thickness, and the Euler angle (θ) of the LN thin film. Finally, a pure SH SAW was obtained with a wide θ range, from 0° to 5° and 165° to 180°. The largest K{sup 2} achieved for the pure SH SAW was about 35.1%. The calculated results demonstrate the promising application of nano LN film to the realization of ultra-wideband SAW devices.

36 MATERIALS SCIENCE↗
DOE OSTI2018

The Control of an Array of Micro-mirrors

The goal of this project is to develop an array of micro electromechanical systems (MEMS) mirrors with the following characteristics: three degrees of freedom (tip, tilt, piston); ±10° range of motion; and 40kHz closed-loop bandwidth. The combination of these characteristics will push the boundaries of devices currently in the literature, enabling a myriad of applications, from glasses-less stereo imagery to high-performance beam steering.

42 ENGINEERING↗
DOE OSTI2022

Revealing Fast Cu-Ion Transport and Enhanced Conductivity at the CuInP 2 S 6 –In 4/3 P 2 S 6 Heterointerface

Van der Waals layered ferroelectrics, such as CuInP 2 S 6 (CIPS), offer a versatile platform for miniaturization of ferroelectric device technologies. Control of the targeted composition and kinetics of CIPS synthesis enables the formation of stable self-assembled heterostructures of ferroelectric CIPS and nonferroelectric In 4/3 P 2 S 6 (IPS). Here, we use quantitative scanning probe microscopy methods combined with density functional theory (DFT) to explore in detail the nanoscale variability in dynamic functional properties of the CIPS-IPS heterostructure. Within, we report evidence of fast ionic transport which mediates an appreciable out-of-plane electromechanical response of the CIPS surface in the paraelectric phase. Further, we map the nanoscale dielectric and ionic conductivity properties as we thermally stimulate the ferroelectric-paraelectric phase transition, recovering the local dielectric behavior during this phase transition. Finally, aided by DFT, we reveal a substantial and tunable conductivity enhancement at the CIPS/IPS interface, indicating the possibility of engineering its interfacial properties for next generation device applications.

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

Multi-Level Information Storage Using Engineered Electromechanical Resonances of Piezoelectric Wafers: A Concept Piezoelectric Quick Response (PQR) Code

A piezoelectric-based method for information storage is presented. It involves engineering the polarization profiles of multiple piezoelectric wafers to enhance/suppress specific electromechanical resonances. These enhanced/suppressed resonances can be used to represent multiple frequency-dependent bits, thus enabling multi-level information storage. This multi-level information storage is demonstrated by achieving three information states for a ternary encoding. Using the three information states, we present an approach to encode and decode information from a 2-by-3 array of piezoelectric wafers that we refer to as a concept Piezoelectric Quick Response (PQR) code. The scaling relation between the number of wafers used and the cumulative number of information states that can be achieved with the proposed methodology is briefly discussed. Potential applications of this methodology include tamper-evident devices, embedded product tags in manufacturing/inventory tracking, and additional layers of security with existing information storage technologies.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

High acoustic velocity x -cut lithium niobate sub-terahertz electromechanics

Micromechanical resonators operating above 100 GHz are favorable candidates for quantum physics studies due to their stronger ability to withstand thermal fluctuations, allowing them to remain in the quantum ground state even at kelvin temperatures. Furthermore, electromechanical resonators at sub-terahertz frequencies enable high-speed data transfer in modern communication technologies, making them attractive for communication industries. Recently, sub-terahertz electromechanics has been demonstrated on z-cut thin-film lithium niobate. Yet, the x-cut thin-film lithium niobate is more advantageous for scaling above 100 GHz due to its faster acoustic velocity. Here, we report sub-terahertz electromechanics on x-cut thin-film lithium niobate utilizing the thickness-longitudinal mode. In addition, we study the orientation dependence of these mechanical resonators due to the anisotropy of lithium niobate. We find that devices with a cross section close to the xy plane can be more efficiently excited, in contrast to those near the xz plane. This difference stems from the orientation-dependent nature of the e12 piezoelectric coupling element of the x-cut lithium niobate film. This investigation could assist in optimizing resonator designs by choosing the crystallographic direction that offers the best performance for specific functionalities.

Physics↗
DOE OSTI2019

Room temperature giant magnetostriction in single-crystal nickel nanowires

Magnetostriction is the emergence of a mechanical deformation induced by an external magnetic field. The conversion of magnetic energy into mechanical energy via magnetostriction at the nanoscale is the basis of many electromechanical systems such as sensors, transducers, actuators, and energy harvesters. However, cryogenic temperatures and large magnetic fields are often required to drive the magnetostriction in such systems, rendering this approach energetically inefficient and impractical for room-temperature device applications. Here, we report the experimental observation of giant magnetostriction in single-crystal nickel nanowires at room temperature. We determined the average values of the magnetostrictive constants of a Ni nanowire from the shifts of the measured diffraction patterns using the 002 and 111 Bragg reflections. At an applied magnetic field of 600 Oe, the magnetostrictive constants have values of λ 100 = -0.161% and λ 111 = -0.067%, two orders of magnitude larger than those in bulk nickel. Using Bragg coherent diffraction imaging (BCDI), we obtained the three-dimensional strain distribution inside the Ni nanowire, revealing nucleation of local strain fields at two different values of the external magnetic field. Our analysis indicates that the enhancement of the magnetostriction coefficients is mainly due to the increases in the shape, surface-induced, and stress-induced anisotropies, which facilitate magnetization along the nanowire axis and increase the total magnetoelastic energy of the system.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Implementation of a spark plasma sintering facility in a hermetic glovebox for compaction of toxic, radiotoxic, and air sensitive materials

Spark plasma sintering (SPS) is a rapidly developing method for densification of powders into compacts. It belongs to the so-called “field assisted sintering techniques” that enable rapid sintering at much lower temperatures than the classical approaches of pressureless sintering of green pellets or hot isostatic pressing. In this paper, we report the successful integration of a SPS device into a hermetic glovebox for the handling of highly radioactive material containing radioisotopes of U, Th, Pu, Np, and Am. The glovebox implantation has been facilitated by the replacement of the hydraulic system to apply pressure with a compact electromechanical unit. The facility has been successfully tested using UO{sub 2} powder. Pellets with 97% of the theoretical density were obtained at 1000 °C for 5 min, significantly lower than the ∼1600 °C for 5-10 h used in conventional pellet sintering.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Thermal and electric multidomain dynamic model for integration of power grid distribution with behind-the-meter devices

As renewable energy sources like solar and wind power become more integrated into the grid, coordinated control of behind-the-meter devices is crucial for enhancing grid flexibility and reliability and for meeting cost targets, with standardized models being developed to support this transition. The increasing flexibility and uncertainty of integrated renewable energy grids, along with interactions between various subsystems, make traditional steady-state modeling insufficient to capture transient and dynamic behaviors. Current models (e.g., composite load and battery equivalent models) focus on thermodynamic or electrical characteristics but overlook critical electromechanical interactions. This limits the ability to share performance information for grid services and hampers fast dynamic simulations. In addition, motor stalling is usually triggered by a fault event and attributed to the characteristics of the mechanical torque of the motor, resulting in absorption of a large amount of reactive power during the stalling period. Further, this significant withdrawal of reactive power will deteriorate the dynamic voltage stability of power grids and cause delayed voltage recovery. Therefore, an in-depth modeling of the thermodynamics or mechanical torque is essential to study the impacts of the realistic torque characteristics of those behind-the-meter devices on power system voltage stability. This study developed a dynamic multidomain model for building HVAC systems, such as air-source heat pumps, to simulate their thermal and electrical responses to grid transients. The model can accurately predict power metrics with a mean absolute percentage error of 10%, by validating against with power system computer-aided design performance data. Case studies demonstrate the model capability of capturing the transient response to sudden voltage changes, rapid load fluctuations, and system shutdowns respectively. During a sudden voltage drop (30% for 0.1s), a fully loaded heat pump’s motor speed dropped, continued declining, and shut down after 3.6s, with severe power oscillations and a torque spike. A partially loaded unit experienced temporary oscillations but stabilized. Under higher building loads, compressor speed increased from 64% to 100%, with power and torque rising before stabilizing. In safety-triggered shutdowns, power decreased after minor fluctuations, and torque briefly spiked before dropping to zero.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Microscopic theory, analysis, and interpretation of conductance histograms in molecular junctions

Molecular electronics break-junction experiments are widely used to investigate fundamental physics and chemistry at the nanoscale. Reproducibility in these experiments relies on measuring conductance on thousands of freshly formed molecular junctions, yielding a broad histogram of conductance events. Experiments typically focus on the most probable conductance, while the information content of the conductance histogram has remained unclear. Here we develop a microscopic theory for the conductance histogram by merging the theory of force-spectroscopy with molecular conductance. The procedure yields analytical equations that accurately fit the conductance histogram of a wide range of molecular junctions and augments the information content that can be extracted from them. Our formulation captures contributions to the conductance dispersion due to conductance changes during the mechanical elongation inherent to the experiments. In turn, the histogram shape is determined by the non-equilibrium stochastic features of junction rupture and formation. The microscopic parameters in the theory capture the junction’s electromechanical properties and can be isolated from separate conductance and rupture force (or junction-lifetime) measurements. The predicted behavior can be used to test the range of validity of the theory, understand the conductance histograms, design molecular junction experiments with enhanced resolution and molecular devices with more reproducible conductance properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Vibrational Energy Harvesting Using a Cantilever Model

Vibrational energy harvesting (VEH) is a method of capturing incidental mechanical vibrational energy and converting it to electrical energy. This is enabled by two technologies: Electromagnetic induction via a cantilever or piezoelectric devices. When designing a VEH system, a fast forward model is desired for response determination and optimal parameter estimation. An ordinary different equation (ODE) system model is developed for the cantilever system based upon the derivations of [1] and [2], and compared with a full electromechanical COMSOL model.

42 ENGINEERING↗
DOE OSTI2020

Interfacial Electromechanics Predicts Phase Behavior of 2D Hybrid Halide Perovskites

Quasi-two-dimensional (2D) mixed-cation hybrid halide perovskites (A' 2 A N–1 M N X 3N+1 ; A' = large organic molecule with cationic group, A = [Cs + , CH 3 NH 3 + , HC(NH 2 ) 2 + ], M = [Pb, Sn, Ge], X = [I – , Br – , Cl – ]) have rapidly emerged as candidates to improve the structural stability and device lifetime of 3D perovskite semiconductor devices under operating conditions. The addition of the large A' cation to the traditional AMX 3 structure introduces several synthetic degrees of freedom and breaks M–X bonds, giving rise to peculiar critical phase behavior in the phase space of these complex materials. In this work, we propose a thermodynamic model parametrized by first-principles calculations to generate the phase diagram of 2D and quasi-2D perovskites (q-2DPKs) based on the mechanics and electrostatics of the interface between the A' cations and the metal halide octahedral network. Focusing on the most commonly studied methylammonium lead iodide system where A' is n-butylammonium (BA; CH 3 (CH 2 ) 3 NH 3 + ), we find that the apparent difficulty in synthesizing phase-pure samples with a stoichiometric index N > 5 can be attributed to the energetic competition between repulsion of opposing interfacial dipole layers and mechanical relaxation induced by interfacial stress. Our model shows quantitative agreement with experimental observations of the maximum phase-pure stoichiometric index (N crit ) and explains the nonmonotonic evolution of the lattice parameters with increasing stoichiometric index (N). This model is generalizable to the entire family of q-2DPKs and can guide the design of photovoltaic and optical materials that combine the structural stability of the q-2DPKs while retaining the charge carrier properties of their 3D counterparts.

14 SOLAR ENERGY↗
DOE OSTI2023

Simultaneous Brillouin and piezoelectric coupling to a high-frequency bulk acoustic resonator

Bulk acoustic resonators support robust, long-lived mechanical modes, capable of coupling to various quantum systems. In separate works, such devices have achieved strong coupling to both superconducting qubits, via piezoelectricity, and optical cavities, via Brillouin interactions. In this work, we present a hybrid microwave–optical platform capable of coupling to bulk acoustic waves through cavity-enhanced piezoelectric and photoelastic interactions. The modular, tunable system achieves fully resonant and well-mode-matched interactions among a 3D microwave cavity, a high-frequency bulk acoustic resonator, and a Fabry–Perot cavity. We realize this piezo–Brillouin interaction in x-cut quartz, demonstrating the potential for strong optomechanical interactions and high cooperativity using optical cavity enhancement. We further show how this device functions as a bidirectional electro–opto–mechanical transducer, with transduction efficiency exceeding 10 − <#comment/> 8 , and a feasible path towards unity conversion efficiency. The high optical sensitivity and ability to apply a large resonant microwave field in this system also offers a tool for probing anomalous electromechanical couplings, which we demonstrate by investigating (nominally centrosymmetric) C a F 2 and revealing a parasitic piezoelectricity of 83 am/V. Such studies are an important topic for emerging quantum technologies, and highlight the versatility of this hybrid platform.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Microstructure factor and mechanical and electronic properties of hydrogenated amorphous and nanocrystalline silicon thin-films for microelectromechanical systems applications

Thin-film silicon allows the fabrication of MEMS devices at low processing temperatures, compatible with monolithic integration in advanced electronic circuits, on large-area, low-cost, and flexible substrates. The most relevant thin-film properties for applications as MEMS structural layers are the deposition rate, electrical conductivity, and mechanical stress. In this work, n{sup +}-type doped hydrogenated amorphous and nanocrystalline silicon thin-films were deposited by RF-PECVD, and the influence of the hydrogen dilution in the reactive mixture, the RF-power coupled to the plasma, the substrate temperature, and the deposition pressure on the structural, electrical, and mechanical properties of the films was studied. Three different types of silicon films were identified, corresponding to three internal structures: (i) porous amorphous silicon, deposited at high rates and presenting tensile mechanical stress and low electrical conductivity, (ii) dense amorphous silicon, deposited at intermediate rates and presenting compressive mechanical stress and higher values of electrical conductivity, and (iii) nanocrystalline silicon, deposited at very low rates and presenting the highest compressive mechanical stress and electrical conductivity. These results show the combinations of electromechanical material properties available in silicon thin-films and thus allow the optimized selection of a thin silicon film for a given MEMS application. Four representative silicon thin-films were chosen to be used as structural material of electrostatically actuated MEMS microresonators fabricated by surface micromachining. The effect of the mechanical stress of the structural layer was observed to have a great impact on the device resonance frequency, quality factor, and actuation force.

36 MATERIALS SCIENCE↗