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DOE OSTI2025

Revisiting Structural and Electromechanical Properties of the Lead-free (K,Na)NbO 3 High-Piezoelectric Material

Having lead-free systems with excellent piezoelectric responses is crucial to the development of environmentally friendly electromechanical applications. In this work, we build an effective Hamiltonian model to explore the promising (K x Na 1–x )NbO 3 system, whose rich phase diagram near x = 50% remains poorly understood meanwhile exhibiting a colossal effective piezoelectric response. Thanks to the numerical implementation of this effective Hamiltonian scheme into a Monte Carlo Metropolis algorithm, we reveal striking features. First, a long-period state can be the ground state at low temperatures for some concentrations while only a short-period conventional polar ground state exists for larger x. Second, the electric field-driven transformation, via a first-order transition, of this long-period state into a short-period polar state creates large electromechanical strains (on the order of the percent) and is likely the origin of the colossal piezoelectric response reported in KNN, for which we evaluate an effective piezoelectric coefficient of several thousands of pC/N.

(K,Na)NbO3↗

DOE OSTI2020

Dynamic Manipulation in Piezoresponse Force Microscopy: Creating Nonequilibrium Phases with Large Electromechanical Response

We discuss how domain walls and topological defects in ferroelectric materials have emerged as a powerful tool for functional electronic devices including memory and logic. Similarly, wall interactions and dynamics underpin a broad range of mesoscale phenomena ranging from giant electromechanical responses to memory effects. Exploring the functionalities of individual domain walls, their interactions, and controlled modifications of the domain structures is crucial for applications and fundamental physical studies. However, the dynamic nature of these features severely limits studies of their local physics since application of local biases or pressures in piezoresponse force microscopy induce wall displacement as a primary response. Here, we introduce an approach for the control and modification of domain structures based on automated experimentation, whereby real-space image-based feedback is used to control the tip bias during ferroelectric switching, allowing for modification routes conditioned on domain states under the tip. This automated experiment approach is demonstrated for the exploration of domain wall dynamics and creation of metastable phases with large electromechanical response.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2012

Ionically-mediated electromechanical hysteresis in transition metal oxides

Electromechanical activity, remanent polarization states, and hysteresis loops in paraelectric TiO2 and SrTiO3 are observed. The coupling between the ionic dynamics and incipient ferroelectricity in these materials is analyzed using extended Ginsburg Landau Devonshire (GLD) theory. The possible origins of electromechanical coupling including ionic dynamics, surface-charge induced electrostriction, and ionically-induced ferroelectricity are identified. For the latter, the ionic contribution can change the sign of first order GLD expansion coefficient, rendering material effectively ferroelectric. These studies provide possible explanation for ferroelectric-like behavior in centrosymmetric transition metal oxides.

Kim, Yunseok↗

DOE OSTI2022

Coupled polarization and nanodomain evolution underpins large electromechanical responses in relaxors

Understanding the evolution and role of nanoscale polar structures during polarization rotation in relaxor ferroelectrics is a long-standing challenge in materials science and condensed-matter physics. These nanoscale polar structures are characterized by polar nanodomains, which are believed to play a key role in enabling the large susceptibilities of relaxors. Here, using epitaxial strain, we stabilize the intermediate step during polarization rotation in epitaxial films of a prototypical relaxor and study the co-evolution of polarization and polar nanodomains. Our multimodal approach allows for a detailed examination of correlations between polarization and polar nanodomains; illuminates the effect of local chemistry, strain and electric field on their co-evolution; and reveals the underappreciated role of strain in enabling the large electromechanical coupling in relaxors. As the strain increases, the competition between chemistry-driven disorder and strain-driven order of the polar units intensifies, which is manifested in the coexistence of inclined and elongated polar nanodomains in the intermediate step of polarization rotation. Our findings establish that structural transitions between polar nanodomain configurations underpins the polarization rotation and large electromechanical coupling of relaxors.

36 MATERIALS SCIENCE↗

DOE OSTI2014

Ab-initio modeling of electromechanical coupling at Si surfaces

The electromechanical coupling at the silicon (100) and (111) surfaces was studied via density functional theory by calculating the response of the ionization potential and the electron affinity to different types of strain. We find a branched strain response of those two quantities with different coupling coefficients for negative and positive strain values. This can be attributed to the reduced crystal symmetry due to anisotropic strain, which partially lifts the degeneracy of the valence and conduction bands. Only the Si(111) electron affinity exhibits a monotonously linear strain response, as the conduction band valleys remain degenerate under strain. The strain response of the surface dipole is linear and seems to be dominated by volume changes. Our results may help to understand the mechanisms behind electromechanical coupling at an atomic level in greater detail and for different electronic and atomic structures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2014

Modeling of dielectric elastomer as electromechanical resonator

Dielectric elastomers (DEs) feature nonlinear dynamics resulting from an electromechanical coupling. Under alternating voltage, the DE resonates with tunable performances. We present an analysis of the nonlinear dynamics of a DE as electromechanical resonator (DEER) configured as a pure shear actuator. A theoretical model is developed to characterize the complex performance under different boundary conditions. Physical mechanisms are presented and discussed. Chaotic behavior is also predicted, illustrating instabilities in the dynamics. The results provide a guide to the design and application of DEER in haptic devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2015

A triple quantum dot based nano-electromechanical memory device

Colloidal quantum dots (CQDs) are free-standing nano-structures with chemically tunable electronic properties. This tunability offers intriguing possibilities for nano-electromechanical devices. In this work, we consider a nano-electromechanical nonvolatile memory (NVM) device incorporating a triple quantum dot (TQD) cluster. The device operation is based on a bias induced motion of a floating quantum dot (FQD) located between two bound quantum dots (BQDs). The mechanical motion is used for switching between two stable states, “ON” and “OFF” states, where ligand-mediated effective interdot forces between the BQDs and the FQD serve to hold the FQD in each stable position under zero bias. Considering realistic microscopic parameters, our quantum-classical theoretical treatment of the TQD reveals the characteristics of the NVM.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

Electromechanical resistive switching via back-to-back Schottky junctions

The physics of the electromechanical resistive switching is uncovered using the theory of back-to-back Schottky junctions combined with the quantum domain space charge transport. A theoretical model of the basic element of resistive switching devices realized by the metal-ZnO nanowires-metal structure has been created and analyzed. Simulation results show that the reverse biased Schottky junction and the air gap impedance dominate the current-voltage relation at higher external voltages; thereby electromechanically varying the air gap thickness causes the device exhibit resistive tuning characteristics. As the device dimension is in nanometre scale, investigation of the model based on quantum mechanics has also been conducted.

36 MATERIALS SCIENCE↗

DOE OSTI2015

Non-resonant electromechanical energy harvesting using inter-ferroelectric phase transitions

Non-resonant electromechanical energy harvesting is demonstrated under low frequency excitation (<50 Hz) using [110]{sub C}-poled lead indium niobate-lead magnesium niobate-lead titanate relaxor ferroelectric single crystals with compositions near the morphotropic phase boundary. The efficiency of power generation at the stress-induced phase transition between domain-engineered rhombohedral and orthorhombic ferroelectric states is as much as four times greater than is obtained in the linear piezoelectric regime under identical measurement conditions but during loading below the coercive stress of the phase change. The phase transition mode of electromechanical transduction holds potential for non-resonant energy harvesting from low-frequency vibrations and does not require mechanical frequency up-conversion.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2012

Estimate the Electromechanical States Using Particle Filtering and Smoothing

Accurate knowledge of electromechanical states is critical for efficient and reliable control of a power system. This paper proposes a particle filtering approach to estimate the electromechanical states of power systems from Phasor Measurement Unit (PMU) data. Without having to go through laborious linearization procedure, the proposed particle filtering techniques can estimate states of a complex power system, which is often non-linear and has non-Gaussian noise. The proposed method is evaluated using a multi-machine system with both large and small disturbances. Sensitivity studies of the dynamic state estimation performance are also presented to show the robustness of the proposed method. The inherent decoupling properties of particle filtering make it highly scalable and the potential to reduce computational time through parallel implementation is very promising.

Auxiliary Particle Filter↗

DOE OSTI2016

Giant electromechanical coupling of relaxor ferroelectrics controlled by polar nanoregion vibrations

Relaxor-based ferroelectrics are prized for their giant electromechanical coupling and have revolutionized sensor and ultrasound applications. A long-standing challenge for piezoelectric materials has been to understand how these ultrahigh electromechanical responses occur when the polar atomic displacements underlying the response are partially broken into polar nanoregions (PNRs) in relaxor-based ferroelectrics. Given the complex inhomogeneous nanostructure of these materials, it has generally been assumed that this enhanced response must involve complicated interactions. By using neutron scattering measurements of lattice dynamics and local structure, we show that the vibrational modes of the PNRs enable giant coupling by softening the underlying macrodomain polarization rotations in relaxor-based ferroelectric PMN-xPT {(1 x)[Pb(Mg 1/3 Nb 2/3 )O 3 ] xPbTiO 3 } (x = 30%). The mechanism involves the collective motion of the PNRs with transverse acoustic phonons and results in two hybrid modes, one softer and one stiffer than the bare acoustic phonon. The softer mode is the origin of macroscopic shear softening. Furthermore, a PNR mode and a component of the local structure align in an electric field; this further enhances shear softening, revealing a way to tune the ultrahigh piezoelectric response by engineering elastic shear softening.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Elastic and Piezoelectric Parameters of the Crystals of Histidine Phosphite L-Hist · H{sub 3}РО{sub 3} Measured by the Method of Electromechanical Resonance

Single crystals of L-histidine phosphite (L-Hist · H{sub 3}РО{sub 3}) have been grown from aqueous solution by slow cooling method. The results of elemental analysis, of X-ray-diffraction studies of the crystal structure, and the habitus of the obtained crystals are given. The elastic and piezoelectric coefficients have been measured on the plates with the (010) natural faces by the method of electromechanical resonance for stretching vibrations in the temperature range 295–340 K. Elastic compliance values s{sub 33} and s{sub 22} and the corresponding elastic-moduli values, piezoelectric coefficients d{sub 23} and d{sub 22}, coefficients of electromechanical coupling, and temperature coefficient of the resonance frequency are obtained. A comparison is given with other crystals, which are compounds of amino acids with phosphorous or phosphoric acid.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Electromechanics of lipid-modulated gating of potassium channels

Experimental studies reveal that the anionic lipid phosphatidic acid (POPA), non-phospholipid cholesterol, and cationic lipid DOTAP inhibit the gating of voltage-sensitive potassium (Kv) channels. In this work, we develop a continuum electromechanical model to investigate the interaction of these lipids with the ion channel. Our model suggests that: (i) POPA lipids may restrict the vertical motion of the voltage-sensor domain through direct electrostatic interactions; (ii) cholesterol may oppose the radial motion of the pore domain of the channel by increasing the mechanical rigidity of the membrane; and (iii) DOTAP can reduce the effect of electrostatic forces by regulating the dielectric constant at the channel–lipid interface. The electromechanical model predictions for the three lipid types match well with the experimental observations and provide mechanistic insights into lipid-dependent gating of Kv channels.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1972

A hybrid electromechanical solid state switch for ac power control

Bidirectional thyristor coupled to a series of actuator driven electromechanical contacts generates hybrid electromechanical solid state switch for ac power control. Device is useful in power control applications where zero crossover switching is required.

Source record↗

NASA NTRS1971

Docking-mechanism attenuator with electromechanical damper

Theoretical and practical problems involved in the application of electromechanical damping for spacecraft docking-mechanism attenuation are discussed. Some drawbacks of hydraulic dampers used for the purpose are pointed out. The basic scheme of the attenuator with the electromechanical damper is given.

Syromyatnikov, V. S.↗

NASA NTRS1976

Electromechanical flight control actuator

An electromechanical actuator that will follow a proportional control command with minimum wasted energy is developed. The feasibility of meeting space vehicle actuator requirements using advanced electromechanical concepts is demonstrated. Recommendations for further development are given.

Source record↗

NASA NTRS1978

Electromechanical flight control actuator, volume 1

An electromechanical actuator was developed that will follow a proportional control command with minimum wasted energy to demonstrate the feasibility of meeting space vehicle actuator requirements using advanced electromechanical concepts. The approach was restricted to a four-channel redundant configuration. Each channel has independent drive and control electronics, a brushless electric motor with brake, and velocity and position feedback transducers. A differential gearbox sums the output velocities of the motors. Normally, two motors are active and the other two are braked.

Source record↗

NASA NTRS1987

An electromechanical attenuator/actuator for Space Station docking

The development of a docking system for aerospace vehicles has identified the need for reusable and variably controlled attenuators/actuators for energy absorption and compliance. One approach to providing both the attenuator and the actuator functions is by way of an electromechanical attenuator/actuator (EMAA) as opposed to a hydraulic system. The use of the electromechanical devices is considered to be more suitable for a space environment because of the absence of contamination from hydraulic fluid leaks and because of the cost effectiveness of maintenance. A smart EMAA that uses range/rate/attitude sensor information to preadjust a docking interface to eliminate misalignments and to minimize contact and stroking forces is described. A prototype EMAA was fabricated and is being tested and evaluated. Results of preliminary testing and analysis already performed have established confidence that this concept is feasible and will provide the desired reliability and low maintenance for repetitive long term operation typical of Space Station requirements.

Stokes, Lebarian↗