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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

High performance high-power textured Mn/Cu-doped PIN-PMN-PT ceramics

Piezoelectric ceramics with combinatory soft and hard characteristics are highly desired for high-power applications. However, it remains grand challenge to achieve simultaneous presence of hard (e.g. high coercive field, E c ; high mechanical quality factor, Q m ) and soft (e.g. high piezoelectric constant, d; high electromechanical coupling factor, k) piezoelectric properties in piezoelectric ceramics since the mechanism controlling the hard behavior (pinned domain walls) will significantly reduce the soft behavior. Here, we address this grand challenge and demonstrate <001> textured MnO 2 and CuO co-doped Pb(In 1/2 Nb 1/2 )O 3- Pb(Mg 1/3 Nb 2/3 )O 3- PbTiO 3 (PIN-PMN-PT) ceramics exhibiting ultrahigh combined soft and hard piezoelectric properties (d 33 = 713 pC N –1 , k 31 = 0.52, Q m ≈950, E c = 9.6 kV cm –1 , tan δ = 0.45%). The outstanding electromechanical properties are explained by considering composition/phase selection, crystallographic anisotropy and defect engineering. Phase-field model in conjunction with high resolution electron microscopy and diffraction techniques is utilized to delineate the contributions arising from intrinsic piezoelectric response, domain dynamics, and local structural heterogeneity. Furthermore, these results will have significant impact in the development of high-power transducers and actuators.

36 MATERIALS SCIENCE↗
DOE OSTI2026

A statistical approach to analyzing domain dynamics in ferroelectric crystals using X-ray photon correlation spectroscopy

Ferroelectric materials exhibit strong electromechanical coupling, largely influenced by their domain structures. Numerous microstructural studies indicate that smaller domains with higher domain wall density generally enhance domain wall motion, although some inconsistencies have been reported. In this work, we use X-ray photon correlation spectroscopy (XPCS) to probe dynamic response in Pb(Mg 1/3 Nb 2/3 )O 3 -29PbTiO 3 (PMN-29PT) single crystals under applied electric fields. We introduce a two-field correlation approach, adapted from conventional two-time correlation to quantify dynamics. Statistical analysis reveals that both [001]-oriented direct current (DC) and alternating current (AC) poled samples show Poisson-like behavior within specific electric field regions. The DC-poled samples exhibit more frequent domain wall jump events but with smaller amount of decorrelation per jump event, whereas the AC-poled samples show fewer jump events with larger decorrelation per jump event. This observation aligns with the prevalence of 109° domain walls in the AC-poled samples, which contribute to more domain wall motion. These findings provide experimental evidence of collective domain wall motion and establish a direct connection between mesoscale dynamics and electromechanical response.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Effects of sintering aid CuTa{sub 2}O{sub 6} on piezoelectric and dielectric properties of sodium potassium niobate ceramics

Graphical abstract: NKN ceramics with a sintering aid CuTa{sub 2}O{sub 6} (CT) doping increased the mechanical quality factor (Q{sub m}) and electromechanical coupling factor (k{sub p}). Highlights: Black-Right-Pointing-Pointer A new sintering aid CuTa{sub 2}O{sub 6} was developed to dope into NKN ceramics. Black-Right-Pointing-Pointer Dense NKN ceramics were obtained as CuTa{sub 2}O{sub 6} compound doping. Black-Right-Pointing-Pointer We find the soluble limit of CuTa{sub 2}O{sub 6} compound incorporated into NKN ceramics. Black-Right-Pointing-Pointer The maximum Q{sub m} and k{sub p} values were more than 1500 and 42%, respectively. Black-Right-Pointing-Pointer CuTa{sub 2}O{sub 6} compound is a better sintering aid compared with K{sub 5.3}Cu{sub 1.3}Ta{sub 10}O{sub 29}. -- Abstract: In this study, the effects of a sintering aid CuTa{sub 2}O{sub 6} (CT) on (Na{sub 0.5}K{sub 0.5})NbO{sub 3} (NKN) ceramics were investigated. The diffracted angles in XRD profiles decreased because the Nb-sites were replaced by Cu and Ta ions, causing the expansion of lattice volume. SEM images showed smaller grain sizes at a low concentration of CuTa{sub 2}O{sub 6}, and grain sizes increased as the concentration of CuTa{sub 2}O{sub 6} doping increased because of a liquid phase formed. When CuTa{sub 2}O{sub 6} dopants were doped into NKN ceramics, the T{sub O-T} and T{sub c} phase transitions decreased because the replacement of Ta{sup 5+} ions in the B-site. A high bulk density (4.595 g/cm{sup 3}) and electromechanical coupling factor (k{sub p}, k{sub t}) were enhanced when CT dopants were doped into NKN ceramics. Moreover, the mechanical quality factor (Q{sub m}) also increased from 67 to 1550. NKN ceramics with sintering aid CuTa{sub 2}O{sub 6} doping showed excellent piezoelectric properties: k{sub p}: 42.5%; k{sub t}: 49.1%; Q{sub m}: 1550; and d{sub 33}: 96 pC/N.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Deterministic Ferroelastic Domain Switching Using Ferroelectric Bilayers

Composition gradients, or dissimilar ferroelectric bilayers, demonstrate colossal electromechanical figures of merit attributed to the motion of ferroelastic domain walls. Yet, mechanistic understanding of polarization switching pathways that drive ferroelastic switching in these systems remains elusive. Here, the crucial roles of strain and electrostatic boundary conditions in ferroelectric bilayer systems are revealed, which underpin their ferroelastic switching dynamics. Using in situ electrical biasing in the transmission electron microscope (TEM), the motion of ferroelastic domain walls is investigated in a tetragonal (T) Pb(Zr,Ti)O 3 (PZT)/rhombohedral (R) PZT epitaxial bilayer system. Atomic resolution electron microscopy, in tandem with phase field simulations, indicates that ferroelastic switching is triggered by predominant nucleation at the triple domain junctions located at the interface between the T/R layers. Furthermore, this interfacial nucleation leads to systematic reversable reorientation of ferroelastic domain walls. Finally, deterministic ferroelastic domain switching, driven by the interfacial strain and electrostatic boundary conditions in the ferroelectric bilayer, provides a viable pathway toward novel design of miniaturized energy-efficient electromechanical devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Quantitative Measurement of Li-Ion Concentration and Diffusivity in Solid-State Electrolyte

Here, we present a quantitative method to measure the concentration and diffusivity of Li ion in a solid-state electrolyte with nanoscale depth resolution. We designed a standard sample with different depths of trenches and used time-of-flight secondary ion mass spectroscopy, inductively coupled plasma optical emission spectroscopy, three-dimensional (3D) optical microscopy, and electrochemical strain microscopy to obtain effective Li-ion concentration and the corresponding diffusivity as a function of depth. As a result, we verified the dependence of electromechanical strain induced by ionic oscillation on mobile-ion concentration. We also showed the diffusivity change as a function of effective concentration and discussed the difference in diffusivity near the surface and inside the bulk. Our method can be widely used for electromechanical strain in various ionic conductors, rendering our technique universal for quantitative analysis of ionic dynamics at a multiscale.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Local Strain and Polarization Mapping in Ferrielectric Materials

CuInP 2 S 6 (CIPS) is a van der Waals material that has attracted attention because of its unusual properties. Recently, a combination of density functional theory (DFT) calculations and piezoresponse force microscopy (PFM) showed that CIPS is a uniaxial quadruple-well ferrielectric featuring two polar phases and a total of four polarization states that can be controlled by external strain. In this study, we combine DFT and PFM to investigate the stress-dependent piezoelectric properties of CIPS, which have so far remained unexplored. The two different polarization phases are predicted to differ in their mechanical properties and the stress sensitivity of their piezoelectric constants. This knowledge is applied to the interpretation of ferroelectric domain images, which enables investigation of local strain and stress distributions. The interplay of theory and experiment produces polarization maps and layer spacings which we compare to macroscopic X-ray measurements. We found that the sample contains only the low-polarization phase and that domains of one polarization orientation are strained, whereas domains of the opposite polarization direction are fully relaxed. The described nanoscale imaging methodology is applicable to any material for which the relationship between electromechanical and mechanical characteristics is known, providing insight on structural, mechanical, and electromechanical properties down to ~10 nm length scales.

36 MATERIALS SCIENCE↗
DOE OSTI2022

High Entropy Oxide Relaxor Ferroelectrics

Relaxor ferroelectrics are important in technological applications due to strong electromechanical response, energy storage capacity, electrocaloric effect, and pyroelectric energy conversion properties. Current efforts to discover and design materials in this class generally rely on substitutional doping as slight changes to local compositional order can significantly affect the Curie temperature, morphotropic phase boundary, and electromechanical responses. In this work, we demonstrate that moving to the strong limit of compositional complexity in an ABO 3 perovskite allows stabilization of relaxor responses that do not rely on a single narrow phase transition region. Entropy-assisted synthesis approaches are utilized to synthesize single-crystal Ba(Ti 0.2 Sn 0.2 Zr 0.2 Hf 0.2 Nb 0.2 )O 3 [Ba(5B)O] films. The high levels of configurational disorder present in this system are found to influence dielectric relaxation, phase transitions, nanopolar domain formation, and Curie temperature. Temperature-dependent dielectric, Raman spectroscopy, and second-harmonic generation measurements reveal multiple phase transitions, a high Curie temperature of 570 K, and the relaxor ferroelectric nature of Ba(5B)O films. The first-principles theory calculations are used to predict possible combinations of cations to design relaxor ferroelectrics and quantify the relative feasibility of synthesizing these highly disordered single-phase perovskite systems. Further, the ability to stabilize single-phase perovskites with various cations on the B-sites offers possibilities for designing high-performance relaxor ferroelectric materials for piezoelectric, pyroelectric, and electrocaloric applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Lead-free Zr-doped ceria ceramics with low permittivity displaying giant electrostriction

Electrostrictors, materials developing mechanical strain proportional to the square of the applied electric field, present many advantages for mechanical actuation as they convert electrical energy into mechanical, but not vice versa. Both high relative permittivity and reliance on Pb as the key component in commercial electrostrictors pose serious practical and health problems. Here we describe a low relative permittivity (<250) ceramic, Zr x Ce 1-x O 2 (x < 0.2), that displays electromechanical properties rivaling those of the best performing electrostrictors: longitudinal electrostriction strain coefficient ~10 -16 m 2 /V 2 ; relaxation frequency ≈ a few kHz; and strain ≥0.02%. Combining X-ray absorption spectroscopy, atomic-level modeling and electromechanical measurements, here we show that electrostriction in Zr x Ce 1-x O 2 is enabled by elastic dipoles produced by anharmonic motion of the smaller isovalent dopant (Zr). Unlike the elastic dipoles in aliovalent doped ceria, which are present even in the absence of an applied elastic or electric field, the elastic dipoles in Zr x Ce 1-x O 2 are formed only under applied anisotropic field. The local descriptors of electrostrictive strain, namely, the cation size mismatch and dynamic anharmonicity, are sufficiently versatile to guide future searches in other polycrystalline solids.

36 MATERIALS SCIENCE↗
DOE OSTI2018

The relation of local order to material properties in relaxor ferroelectrics

Correlating electromechanical and dielectric properties with nanometre-scale order is the defining challenge for the development of piezoelectric oxides. Current lead (Pb)-based relaxor ferroelectrics can serve as model systems with which to unravel these correlations, but the nature of the local order and its relation to material properties remains controversial. Here we employ recent advances in diffuse scattering instrumentation to investigate crystals that span the phase diagram of PbMg1/3Nb2/3O3-xPbTiO(3) (PMN-xPT) and identify four forms of local order. From the compositional dependence, we resolve the coupling of each form to the dielectric and electromechanical properties observed. We show that relaxor behaviour does not correlate simply with ferroic diffuse scattering; instead, it results from a competition between local antiferroelectric correlations, seeded by chemical short-range order, and local ferroic order. The ferroic diffuse scattering is strongest where piezoelectricity is maximal and displays previously unrecognized modulations caused by anion displacements. Our observations provide new guidelines for evaluating displacive models and hence the piezoelectric properties of environmentally friendly next-generation materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

On the mechanism of performance improvement of electroactive polyvinyl chloride (PVC) gel actuators via conductive fillers

Abstract The electromechanical actuation of transparent plasticized polyvinyl chloride (PVC) gels with conductive fillers were studied. The effects of functionalized carbon nanotubes (CNTs) and 1-butyl-3-methylimidazolium tetrafluoroborate ([Bmim]BF 4 ) ionic liquid (IL) on both the electrical conduction and dielectric processes within PVC gels were investigated, and the differences between the two were clarified. Both CNTs and IL were shown to increase the conductivity of the gels and produce larger electromechanical transduction of a contraction actuator, but only CNTs were shown to increase the electrostatic adhesion force of the PVC gels. The addition of charge carriers to the gel via the inclusion of ILs was shown to significantly reduce the conductivity relaxation time, and the transient current upon voltage polarity reversal indicated multiple peaks corresponding to the introduction of carriers with different polarities and mobilities into the gel. This is believed to cause a screening effect, reducing the charge accumulation at the anode that is the foundational basis for PVC gels’ actuation mechanism. A recommendation for preferable conductive fillers for various applications is made.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Nanoscale mapping of heterogeneity of the polarization reversal in lead-free relaxor–ferroelectric ceramic composites

Relaxor/ferroelectric ceramic/ceramic composites have shown to be promising in generating large electromechanical strain at moderate electric fields. However, the mechanisms of polarization and strain coupling between grains of different nature in the composites remain unclear. To rationalize the coupling mechanisms we performed advanced piezoresponse force microscopy (PFM) studies of 0.92BNT-0.06BT-0.02KNN/0.93BNT-0.07BT (ergodic/non-ergodic relaxor) composites. PFM is able to distinguish grains of different phases by characteristic domain patterns. Polarization switching has been probed locally, on a sub-grain scale. k-Means clustering analysis applied to arrays of local hysteresis loops reveals variations of polarization switching characteristics between the ergodic and non-ergodic relaxor grains. Here, we report a different set of switching parameters for grains in the composites as opposed to the pure phase samples. These results confirm ceramic/ceramic composites to be a viable approach to tailor the piezoelectric properties and optimize the macroscopic electromechanical characteristics.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Enhanced piezoelectric performance of (0.98-x)Bi(Sc{sub 3/4}In{sub 1/4})O{sub 3}-xPbTiO{sub 3}-0.02Pb(Zn{sub 1/3}Nb{sub 2/3})O{sub 3} ternary high temperature piezoelectric ceramics

(0.98-x)Bi(Sc{sub 3/4}In{sub 1/4})O{sub 3}-xPbTiO{sub 3}-0.02Pb(Zn{sub 1/3}Nb{sub 2/3})O{sub 3} (BSI-PT-PZN) high temperature piezoelectric ceramics were prepared by traditional solid-state reaction method. Combining X-ray diffraction results with piezoelectric data, it was found that the morphotropic phase boundary (MPB) occurred at x = 0.575. The piezoelectric constant d{sub 33}, curie temperature T{sub c}, and electromechanical coupling factor k{sub p} of BIS-PT-PZN ceramics with MPB composition were 427 pC/N, 412 Degree-Sign C, and 0.51, respectively. Furthermore, the strain of BIS-PT-PZN ceramics reached up to 0.25% under the electric field of 40 kV/cm. Temperature-dependent electromechanical coupling coefficient for MPB composition was stable from room temperature up to 350 Degree-Sign C. The piezoelectric properties of BIS-PT-PZN ceramics were comparable to that of 0.36BiScO{sub 3}-0.64PbTiO{sub 3} (BS-PT) ceramics, and the piezoelectric constant d{sub 33} of BIS-PT-PZN ceramics was about twice that of our previous reported 0.4Bi(Sc{sub 3/4}In{sub 1/4})O{sub 3}-0.6PbTiO{sub 3} (BSI-PT) ceramics. The reduction in the expensive Sc{sub 2}O{sub 3} content and comparable piezoelectric properties with BS-PT ceramics indicated that BIS-PT-PZN ceramics were promising for commercial applications as high temperature actuators and sensors.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Structural stability and depolarization of manganese-doped (Bi₀.₅Na₀.₅){sub 1−x}Ba{sub x}TiO₃ relaxor ferroelectrics

This work reveals that 0.5 mol. % manganese (Mn) doping in (Bi₀.₅Na₀.₅){sub 1−x}Ba{sub x}TiO₃ (x = 0 and 0.075) solid solutions can increase structural thermal stability, depolarization temperature (T{sub d}), piezoelectric coefficient (d₃₃), and electromechanical coupling factor (kₜ). High-resolution X-ray diffraction and transmission electron microscopy reveal coexistence of rhombohedral (R) R3c and tetragonal (T) P4bm phases in (Bi₀.₅Na₀.₅)₀.₉₂₅Ba₀.₀₇₅TiO₃ (BN7.5BT) and 0.5 mol. % Mn-doped BN7.5BT (BN7.5BT-0.5Mn). (Bi₀.₅Na₀.₅)TiO₃ (BNT) and BN7.5BT show an R − R + T phase transition, which does not occur in 0.5 mol. % Mn-doped BNT (BNT-0.5Mn) and BN7.5BT-0.5Mn. Dielectric permittivity (ε′) follows the Curie-Weiss equation, ε′ = C/(T − T{sub o}), above the Burns temperature (T B ), below which polar nanoregions begin to develop. The direct piezoelectric coefficient (d₃₃) and electromechanical coupling factor (kₜ) of BN7.5BT-0.5Mn reach 190 pC/N and 47%.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Preface to Special Topic: Piezoresponse Force Microscopy

Almost two decades beyond the inception of piezoresponse force microscopy (PFM) and the seminal papers by G€uthner and Dransfeld1 and Gruverman et al., the technique has become the prevailing approach for nanoscale functional characterization of polar materials and has been extended to the probing of other electromechanical effects through the advent of electrochemical strain microscopy (ESM). This focus issue celebrates some of the recent advances in the field and offers a wider outlook of polar materials and their overall characterization. In this paper, we cover topics that include discussions of the properties of traditional ferroelectrics, such as lead zirconate titanate (PZT) and lithium niobate, relaxorferroelectrics, as well as more “exotic” ferroelectric oxides such as hafnia, ferroelectric biological matter, and multiferroic materials. Technique-oriented contributions include papers on the coupling of PFM with other characterization methods such as x-ray diffraction (XRD) and superconducting quantum interface device (SQUID), in addition to considerations on the open questions on the electromechanical response in biased scanning probe microscopy (SPM) techniques, including the effects of the laser spot placement on the readout cantilever displacement, the influence of the tip on the creation of the domain shapes, and the impact of ionic and electronic dynamics on the observed nanoscale hysteretic phenomena.

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 OSTI2015

Interface and thickness dependent domain switching and stability in Mg doped lithium niobate

Controlling ferroelectric switching in Mg doped lithium niobate (Mg:LN) is of fundamental importance for optical device and domain wall electronics applications that require precise domain patterns. Stable ferroelectric switching has been previously observed in undoped LN layers above proton exchanged (PE) phases that exhibit reduced polarization, whereas PE layers have been found to inhibit lateral domain growth. Here, Mg doping, which is known to significantly alter ferroelectric switching properties including coercive field and switching currents, is shown to inhibit domain nucleation and stability in Mg:LN above buried PE phases that allow for precise ferroelectric patterning via domain growth control. Furthermore, piezoresponse force microscopy (PFM) and switching spectroscopy PFM reveal that the voltage at which polarization switches from the “up” to the “down” state increases with increasing thickness in pure Mg:LN, whereas the voltage required for stable back switching to the original “up” state does not exhibit this thickness dependence. This behavior is consistent with the presence of an internal frozen defect field. The inhibition of domain nucleation above PE interfaces, observed in this study, is a phenomenon that occurs in Mg:LN but not in undoped samples and is mainly ascribed to a remaining frozen polarization in the PE phase that opposes polarization reversal. This reduced frozen depolarization field in the PE phase also influences the depolarization field of the Mg:LN layer above due to the presence of uncompensated polarization charge at the PE-Mg:LN boundary. These alterations in internal electric fields within the sample cause long-range lattice distortions in Mg:LN via electromechanical coupling, which were corroborated with complimentary Raman measurements.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

A classical mechanics model for the interpretation of piezoelectric property data

In order to provide a means of understanding, the relationship between the primary electromechanical coefficients and simple crystal chemistry parameters for piezoelectric materials, a static analysis of a 3 atom, dipolar molecule has been undertaken to derive relationships for elastic compliance s{sup E}, dielectric permittivity ε{sup X}, and piezoelectric charge coefficient d in terms of an effective ionic charge and two inter-atomic force constants. The relationships demonstrate the mutual interdependence of the three coefficients, in keeping with experimental evidence from a large dataset of commercial piezoelectric materials. It is shown that the electromechanical coupling coefficient k is purely an expression of the asymmetry in the two force constants or bond compliances. The treatment is extended to show that the quadratic electrostriction relation between strain and polarization, in both centrosymmetric and non-centrosymmetric systems, is due to the presence of a non-zero 2nd order term in the bond compliance. Comparison with experimental data explains the counter-intuitive, positive correlation of k with s{sup E} and ε{sup X} and supports the proposition that high piezoelectric activity in single crystals is dominated by large compliance coupled with asymmetry in the sub-cell force constants. However, the analysis also shows that in polycrystalline materials, the dielectric anisotropy of the constituent crystals can be more important for attaining large charge coefficients. The model provides a completely new methodology for the interpretation of piezoelectric and electrostrictive property data and suggests methods for rapid screening for high activity in candidate piezoelectric materials, both experimentally and by novel interrogation of ab initio calculations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗