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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 OSTI2023

Anomalous polarization reversal in strained thin films of CuIn⁢P 2 ⁢S 6

Strain-induced transitions of polarization reversal in thin films of a ferrielectric CuIn⁢P 2 ⁢S 6 (CIPS) with ideally conductive electrodes are explored using the Landau-Ginzburg-Devonshire approach with an eighth-order free energy expansion in polarization powers. Due to multiple potential wells, the height and position of which are temperature and strain dependent, the energy profiles of CIPS can flatten in the vicinity of the nonzero polarization states. Thereby, we reveal an unusually strong effect of a mismatch strain on the out-of-plane polarization reversal, hysteresis loop shape, dielectric susceptibility, and piezoelectric response of CIPS films. By varying the sign of the mismatch strain and its magnitude in a fairly narrow range, quasistatic hysteresisless paraelectric curves can transform into double, triple, and other types of pinched and single hysteresis loops. The strain effect on the polarization reversal is opposite, i.e., anomalous, in comparison with many other ferroelectric films, for which the out-of-plane remanent polarization and coercive field increase strongly for tensile strains and decrease or vanish for compressive strains. For definite values of temperature and mismatch strain, the low-frequency hysteresis loops of polarization may exhibit negative slope in a relatively narrow range of external field amplitude and frequency. The low-frequency susceptibility hysteresis loops, which correspond to the negative slope of polarization loops, contain only positive values, which can be giant in the entire range of field changes. In conclusion, the corresponding piezoresponse also reaches giant values, being maximal near coercive fields.

Dielectric properties↗
DOE OSTI2021

Point defect induced incommensurate dipole moments in the K Ca 2 Nb 3 O 10 Dion-Jacobson layered perovskite

Local structural distortions due to isolated atomic defects and defect complexes strongly affect the macroscopic properties of oxide ceramics. While the characterization of local defect structures is more common in simple AB O 3 perovskites, unambiguous determination of the same in layered perovskites is more difficult due to their complex crystal structures. In this study, we combined x-ray pair distribution function and density functional theory calculations to characterize the structure of cation-oxygen divacancy pairs in a Dion-Jacobson (D-J) layered perovskite. Our results indicate that local incommensurate dipole moments with polarization density in the range of ~ 0.1–17μC/cm 2 are created due to divacancy-induced structural distortions in the D-J phase K Ca 2 Nb 3 O 10 . This is comparable with defect dipole moments observed in well-known perovskite ferroelectrics. The current results imply that controlling the atomic defects can potentially lead to significant control of dielectric properties in D-J layered perovskites.

3-dimensional systems↗
DOE OSTI2022

Pareto Optimization of Oligomer Polarizability and Dipole Moment Using a Genetic Algorithm

High-performance electronic components are highly sought after in order to produce increasingly smaller and cheaper electronic devices. Drawing inspiration from inorganic dielectric materials, in which both polarizability and polarization contribute, organic materials can also maximize both. For a large set of small molecules drawn from PubChem, a Pareto-like front appears between the polarizability and dipole moment, indicating the presence of an apparent trade-off between these two properties. We tested this balance in π-conjugated materials by searching for novel conjugated hexamers with simultaneously large polar- izabilities and dipole moments with potential use for dielectric materials. Using a genetic algorithm (GA) screening technique in conjunction with an approximate density functional tight-binding method for property calculations, we were able to efficiently search chemical space for optimal hexamers. Given the scope of chemical space, using the GA technique saves considerable time and resources by speeding up molecular searches compared to a systematic search. Here, we also explored the underlying structure–function relationships, including sequence and monomer properties, that characterize large polarizability and dipole moment regimes.

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

Emergent topological polarization textures in relaxor ferroelectrics

Relaxor ferroelectrics underpin high-performance actuators and sensors, yet the nature of polar heterogeneities driving their broadband dielectric response remains debated. Using a unified, multimodal structural refinement framework— simultaneously fitting complementary X-ray and neutron total scattering, X-ray absorption spectra, and diffuse scattering—we reconstruct 3D mesoscale polarization maps in the classic relaxor system PbMg 1/3 Nb 2/3 O 3 –PbTiO 3 . We uncover self-organized swirling polarization textures with half-skyrmion (meron) vortices, challenging models of independent polar nanoregions. These textures, characterized by smooth changes in the polarization direction, originate from overlapping volumes in which the projections of locally correlated polarization vectors onto each volume’s long axis share the same sign. Vortex cores correlate strongly with local charge and strain gradients imposed by compositional heterogeneities. In this work, our results suggest that chemical disorder, acting via depolarizing and strain fields, stabilizes topological vortex textures of the polarization field, offering a route for engineering new dielectric and ferroelectric functionalities.

Eremenko, Maksim [National Institute of Standards ↗
DOE OSTI2025

In Situ MOF Pyrolysis Construction of Hierarchical Porous Co‐Nanoparticles/Carbon Cloth Composites for Enhanced Electromagnetic Wave Shielding and Absorption

The development of high-performance electromagnetic protection materials integrating broadband absorption and effective shielding capabilities is hindered by challenges in simultaneously optimizing multiple electromagnetic properties through conventional material designs. This study pioneers a hierarchical porous Co nanoparticle/carbon cloth (Co/CC) composite via controlled annealing of a Co-MOF precursor on carbon cloth. The Co-MOF served a dual role as both magnetic source and pore-forming agent, enabling in situ generation of uniformly dispersed Co nanoparticles and creation of abundant pores/interfaces on the CC fibers during pyrolysis. This unique architecture synergistically enhanced dielectric loss (via interfacial/dipolar polarization) and magnetic loss (via natural resonance, exchange interactions, and eddy currents), significantly improving impedance matching. The hierarchical pores further functioned as integrated “absorption–reflection” units for efficient electromagnetic energy attenuation. Consequently, the Co/CC composite annealed at 800°C (Co/CC-800) achieves minimum reflection loss (−40.69 dB) and 120% effective absorption bandwidth extension (6.16 GHz) as a filler, and exhibits superior electromagnetic interference shielding effectiveness (46.66 dB) as an integrated component. Significantly, Co/CC-800 demonstrated robust photothermal and electrothermal conversion capabilities, ensuring operational stability in ice-covered and humid harsh environments. This work pioneers a pore-structure-mediated strategy to harmonize dielectric–magnetic synergy, providing a new paradigm for designing advanced multifunctional electromagnetic protection materials.

dielectric‐magnetic synergy↗
DOE OSTI2020

Direct Visualization of Current-Stimulated Oxygen Migration in YBa 2 Cu 3 O 7–δ Thin Films

The past years have witnessed major advancements in all-electrical doping control on cuprates. In the vast majority of cases, the tuning of charge carrier density has been achieved via electric field effect by means of either a ferroelectric polarization or using a dielectric or electrolyte gating. Unfortunately, these approaches are constrained to rather thin superconducting layers and require large electric fields in order to ensure sizable carrier modulations. In this work, we focus on the investigation of oxygen doping in an extended region through current-stimulated oxygen migration in YBa 2 Cu 3 O 7–δ superconducting bridges. The underlying methodology is rather simple and avoids sophisticated nanofabrication process steps and complex electronics. Here, a patterned multiterminal transport bridge configuration allows us to electrically assess the directional counterflow of oxygen atoms and vacancies. Importantly, the emerging propagating front of current-dependent doping δ is probed in situ by optical microscopy and scanning electron microscopy. The resulting imaging techniques, together with photoinduced conductivity and Raman scattering investigations, reveal an inhomogeneous oxygen vacancy distribution with a controllable propagation speed permitting us to estimate the oxygen diffusivity. These findings provide direct evidence that the microscopic mechanism at play in electrical doping of cuprates involves diffusion of oxygen atoms with the applied current. The resulting fine control of the oxygen content would permit a systematic study of complex phase diagrams and the design of electrically addressable devices.

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

Electric Field Imaging Using Polarized Neutrons

In this paper, we experimentally demonstrate that electrically neutral particles, neutrons, can be used to directly visualize the electrostatic field inside a target volume that can be physically isolated or occupied. Electric field images are obtained using a spin-polarized neutron beam with a recently developed polarimetry method for polychromatic beams that permits detection of a small angular change in spin orientation. This work may enable a new diagnostic technique sensitive to the structure of electric potential, electric polarization, charge distribution, and dielectric constant by imaging spatially dependent electric fields in objects that cannot be accessed by other probes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Defect‐Induced, Ferroelectric‐Like Switching and Adjustable Dielectric Tunability in Antiferroelectrics

Abstract Antiferroelectrics, which undergo a field‐induced phase transition to ferroelectric order that manifests as double‐hysteresis polarization switching, exhibit great potential for dielectric, electromechanical, and electrothermal applications. Compared to their ferroelectric cousins, however, considerably fewer efforts have been made to understand and control antiferroelectrics. Here, it is demonstrated that the polarization switching behavior of an antiferroelectric can be strongly influenced and effectively regulated by point defects. In films of the canonical antiferroelectric PbZrO 3 , decreasing oxygen pressure during deposition (and thus increasing adatom kinetic energy) causes unexpected “ferroelectric‐like” polarization switching although the films remain in the expected antiferroelectric orthorhombic phase. This “ferroelectric‐like” switching is correlated with the creation of bombardment‐induced point‐defect complexes which pin the antiferroelectric–ferroelectric phase boundaries, and thus effectively delay the phase transition under changing field. The effective pinning energy is extracted via temperature‐dependent switching‐kinetics studies. In turn, by controlling the concentration of defect complexes, the dielectric tunability of the PbZrO 3 can be adjusted, including being able to convert between “positive” and “negative” tunability near zero field. This work reveals the important role and strong capability of defects to engineer antiferroelectrics for new performance and functionalities.

Pan, Hao↗
DOE OSTI2021

Ordered hexagonal columnar liquid crystalline self-assembly of mesogen-free sulfonylated side-chain chiral polyethers and their high dielectric property

To achieve large spontaneous polarization for ferroelectric liquid crystalline polymers, we have designed a series of mesogen-free isotactic polyethers with sulfonylated side chains. Different from prior studies using linear alkyl side chains, in this work a methyl branch was implemented in the alkyl side chains of the chiral polyethers. As a result of the continuous twist from the methyl branches and strong dipole-dipole interactions among neighboring sulfonyl groups, a helical chain conformation with tilted side chains was achieved. When the branched side chains were short (e.g., C5) and double chirality existed in both the main chain and side chains, a crystalline structure was obtained. When the branched side chains were long (e.g., ≥ C8) and single chirality existed in the main chain, an ordered hexagonal columnar liquid crystalline phase was induced. Their high-field dielectric property was studied by electric displacement-electric field (D-E) loop tests; however, no ferroelectric behavior was observed up to 200 MV/m. It was considered that the dipole-dipole interaction among neighboring sulfonyl groups in the helical chains was too strong to allow easy ferroelectric flipping.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Ba ( Ti 1 - x , Zr x ) O 3 relaxors: Dynamic ferroelectrics in the gigahertz frequency range

Relaxor ferroelectrics are of great scientific and technological significance as they exhibit large and unusual responses to external stimuli. Their hallmark features are broadness and frequency dispersion of the peak in the temperature dependence of the dielectric constant. Both are believed to originate from the dynamics of polar nanoregions. Here, we apply first-principles-based molecular dynamics to resolve the gigahertz electric response of dynamically poled Ba (Ti 1 - x , Zr x ) O 3 ferroelectric relaxors that remained overlooked so far. We find that (i) the hallmark relaxor features continue to persist even in the dynamically poled structures, but do not necessarily originate from the polar nanoregions dynamics; (ii) dynamically poled samples exhibit polarization aging which leads to the frequency dependence of both remnant polarization and the Curie temperature; (iii) “dynamical” nature of the latter naturally explains the frequency dependence of the dielectric susceptibility maximum in dynamically poled Ba (Ti 1 - x , Zr x) O 3 ; and (iv) incorporation of the polarization aging into dielectric susceptibility expression explains its enhancing contribution in an intuitive way.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Dynamical origins of weakly coupled relaxor behavior in Sn-doped (Ba,Ca)TiO 3 -BiScO 3

The peculiar characteristics of relaxors, viz., a frequency-dependent dielectric permittivity peak and good functional properties (dielectric, electromechanical, electrocaloric, etc.), are attributed to nanoscale regions with correlated dipoles, or polar nanoregions (PNRs). However, the exact nature of PNRs and their contribution to relaxor behavior remains debatable. In recent years, solid solutions of BaTiO3-BiMeO3 (where Me is a metal), have emerged as an interesting system with characteristics in between that of relaxors and dipole glasses. Here, we have examined the atomistic origins of weakly coupled relaxor behavior, specifically with regard to formation of PNRs, in Sn-doped (1-x)(Ba,Ca)TiO 3-x BiScO 3 using macroscopic polarization and neutron dynamic pair distribution function measurements. We show that the short-range atomic correlations observed within the PNRs dynamically fluctuate with frequencies of the order of THz. Furthermore the composition-dependent dielectric and polarization behaviors are critically influenced by the relative stability of the atomic correlations near ~1 THz, while the instantaneous atomic correlations are largely independent of x. The current results are discussed based on a model of intrinsic local modes distributed in a dielectrically soft matrix.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

A study of electroactive polyvinyl chloride (PVC) gel actuators through the use of the electric modulus formalism and cyclic linear voltage sweeps

The conductivity and dielectric properties are integral to the function of polyvinyl chloride (PVC) gel actuators. The frequency-dependent properties of PVC gel actuators are investigated here in terms of their impedance, permittivity, and for the first time, electric modulus. The data shows that PVC gels’ conductive properties are just as, if not more, important as their dielectric properties in electromechanical transduction applications. The electrode polarization (EP) and its impact on the impedance and dielectric spectra of PVC gels, as well as the developed asymmetric space charge at the anode, are discussed. The electric modulus and tan δ spectra are used for the fitting of Cole-Cole (CC) and Debye relaxation models for gels of varying plasticizer content. The electrostatic adhesive force for PVC gels of varying plasticizer is also measured, indicating large electrostatic adhesion (>2 N cm -2 ). A cyclic linear voltage sweep is used to clarify the dynamics of space charge within the gels. The peak current (associated with space charge development) is seen to be concurrent with the onset of mechanical deformation, showing the asymmetric charge as the origin of electromechanical transduction. Additionally, the maximum charge transferred (as measured by the integration of current over time) before space charge development is found to correlate with the electrostatic adhesive force measured for the gels, pointing to a new method of characterizing PVC gels for actuation.

Instruments & Instrumentation↗
DOE OSTI2020

Reducing dielectric loss and enhancing electrical insulation for multilayer polymer films by nanoconfined ion transport under high poling electric fields

High temperature polar polymers have demonstrated potential for good thermal stability and high dielectric constant at the same time. However, polarization of contaminated impurity ions in polar polymers, even at the ppm level, can significantly increase the dielectric loss at high temperature and low frequencies. One effective strategy to mitigate this problem is to multilayer them with a high temperature nonpolar dielectric polymer to confine impurity ion transport at the nanometer scale. In this study, confined ion transport in high temperature polycarbonate (HTPC)/poly(vinylidene fluoride) (PVDF) multilayer films under high AC electric fields was studied using a direct analytical simulation method. Different from the ion transport under low fields, the ion diffusion model failed to describe the ion transport under high electric fields. An exponential ion distribution profile, which was observed for the DC poling situation, was employed to implement the direct analytical simulation. Confined impurity ion transport under high AC fields was quantitatively understood. As the AC field increased, the mobile ion concentration decreased whereas the diffusion coefficient increased. The decrease of mobile ion concentration was explained by the blockage of impurity ions by the HTPC layers. This knowledge helped in the determination of optimal conditions to polarize impurity ions from the PVDF layers into the HTPC layers. After cooling below the glass transition temperature of HTPC, polarized impurity ions were locked inside the HTPC layers. As a result, increased discharge efficiency and enhanced electrical insulation (i.e., increased dielectric breakdown strength) were achieved for the polarized multilayer films.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Octave-spanning terahertz quarter-wave plates based on over-coupled Fabry–Pérot resonances in reflective metal–dielectric–metal metasurfaces

Compact devices for broadband polarization control in the terahertz (THz) regime remain challenging to realize due to the intrinsic phase dispersion associated with birefringent materials and resonant structures. Here, we demonstrate achromatic THz quarter-wave plates with near-unity efficiency and operating under a wide range of incidence angles, based on over-coupled metal–dielectric–metal reflective metasurfaces. The devices operate as single-port anisotropic Fabry–Pérot cavities, in which the phase dispersion of the over-coupled resonances is engineered to maintain an approximately constant relative phase delay between orthogonal field components over a broad frequency range. Four complementary metasurface designs operating at an incidence angle of 45° collectively cover the 0.25–3 THz frequency range accessible to a typical THz time-domain spectroscopy system. Each device exhibits an approximately octave-wide operational bandwidth, with axial ratios below 3 dB and polarization-conversion efficiencies exceeding 80% across most of the operating band. Systematic structural optimization suppresses coupling to diffraction and guided-wave modes, thereby further extending the usable bandwidth while preserving the required phase relationship between orthogonal polarizations. The demonstrated metasurfaces are compatible with wafer-scale fabrication processes, and experimental results show excellent agreement with simulations. These findings establish over-coupled reflective metasurfaces as a robust, scalable, and versatile platform for broadband THz polarization control.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Epitaxial Sc x Al 1- x N on GaN exhibits attractive high-K dielectric properties

Epitaxial Sc x Al 1- x N thin films of ~100 nm thickness grown on metal polar GaN substrates are found to exhibit significantly enhanced relative dielectric permittivity (ε r ) values relative to AlN. ε r values of ~17–21 for Sc mole fractions of 17%–25% ( x = 0.17–0.25) measured electrically by capacitance–voltage measurements indicate that Sc x Al 1- x N has the largest relative dielectric permittivity of any existing nitride material. Since epitaxial Sc x Al 1- x N layers deposited on GaN also exhibit large polarization discontinuity, the heterojunction can exploit the in situ high-K dielectric property to extend transistor operation for power electronics and high-speed microwave applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Long-lasting strong electrostatic attraction and adhesion forces of dust particles on photovoltaic modules

Photovoltaic (PV) energy-yield loss due to solar module soiling has become increasingly important as solar module deployment is now at the hundreds of gigawatts scale and continues to grow rapidly. The electrostatic attraction and adhesion force (F es ) of dust particles by the high voltages from solar panels have been reported to be 1 to 2 orders of magnitude stronger than the van der Waals and water capillary forces, which has been corroborated by observing the increase in system voltage-induced soiling rate by setting up an outdoor test. Here, we report another characteristic of F es on soiling - long-lasting or slow decay after turning off the high voltage applied to solar panels. The F es decay time varies across a wide time range of 1 to 10 h, depending on two factors: 1) whether the cell, the particle, or both were charged with high voltage before the voltages were turned off; and 2) how the cell was connected to the ground after the voltage was turned off - either connected through the power-supply electronics, directly connected to the ground, or electrically floated. The Fes decay is understood in terms of 1) net electrical charge dissipations in both particle and cell, 2) thermal disordering of dipole polarization in the module glass dielectrics, and 3) charge redistribution by the electrostatic interaction of particle and module glass. This long-lasting F es for hours can affect the solar panel soiling after sunset, and it can have an even greater effect when combined with water condensation at night.

14 SOLAR ENERGY↗