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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Ferroelectricity in Atomic Layer Deposited Wurtzite Zinc Magnesium Oxide Zn 1– x Mg x O

Conformal deposition of wurtzite ferroelectrics, which is needed for their use in scaled nonvolatile memories, is challenging using current physical vapor deposition techniques. To overcome the conformality barrier, this work demonstrates ferroelectricity in wurtzite Zn 1− x Mg x O thin films prepared by plasma-enhanced atomic layer deposition, which is a non-line-of-sight deposition method. Films ranging in composition from x = 0.00 to x = 0.58 are predominantly wurtzite phase and exhibit a (0001)-texture. Increasing the magnesium content decreases the c/a ratio, increases the optical bandgap energy, increases the piezoelectric response, and enables polarization reversal. Clear polarization switching is demonstrated in 50 nm thick Zn 1− x Mg x O films by piezoresponse force microscopy in compositions containing x = 0.46 and x = 0.58.

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

DFT-based insight into finite-temperature properties of ferroelectric perovskites with lone-pair: the case of CsGeX 3 (X = Cl, Br, I)

Ferroelectrics remain in the focus of scientific attention for decades owing to their fundamental and practical appeal. Recently, ferroelectricity has been demonstrated in semiconducting halide perovskites (Zhang et al 2022 Sci. Adv. 8 eabj5881), offering both a rare combination of ferroelectricity and semiconductivity in the same material and a possible alternative to the prevailing perovskite oxide ferroelectrics. We propose a route to simulating such materials at finite temperatures capable of reproducing key experimental and first-principle data, such as Curie temperature, phase transition sequence, spontaneous polarization, and soft mode frequencies. The key methodological finding is the superior performance of hybrid exchange correlation functionals in parametrization of effective Hamiltonians for ferroelectrics with lone pair. The parametrization for effective Hamiltonians for CsGeX 3 (X = Cl, Br, I) is reported. The application of methodology to study polarization reversal in CsGeX 3 allows for the development of a ‘minimalistic’ model for polarization reversal in ferroelectrics that provides an insight into the mechanisms of polarization reversal and its key features, such as the relationship between the coercive field, temperature, and AC field frequency. Importantly, the model reveals the origin of the well-known and ever-puzzling overestimation of coercive fields in computations. Furthermore, we report a variety of finite-temperature properties of CsGeX 3 ferroelectrics, such as dielectric susceptibility, pyroelectric coefficients, and energy storage density, which reveal that these halide perovskites possess properties comparable to their oxide counterparts. Here, we believe that our work provides significant methodological advancements, deepens fundamental understanding of ferroelectrics, and reveals the potential of halide perovskite ferroelectrics.

effective Hamiltonian↗
DOE OSTI2023

Polarization-dependent electrocaloric and pyroelectric effects in ferroelectric BaTiO 3 thin films

In this paper we examine the influence of controllable polarization reversal and built-in electric fields on pyroelectric and electrocaloric effects in a BaTiO 3 thin film using a modified indirect method. We find that the magnitude of the sample's change in polarization with temperature is sensitive to the degree of polarization reversal. The pyroelectric response is small at low fractions of switched polarization and grows larger by several factors as larger fractions of polarization are reversed. This polarization reversal-sensitive pyroelectric behavior is the result of an internal built-in field, which has the effect of destabilizing low fractions of switched polarization and producing diminished pyroelectric effect. Greater fractions of switched polarization are more stable against backswitching and permit a larger pyroelectric response. Our findings highlight a characterization method for polarization-dependent pyroelectric effects in ferroelectric thin films, where built-in field effects are also present.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Polar state reversal in active fluids

Spontaneous emergence of correlated states such as flocks and vortices is a prime example of collective dynamics and self-organization observed in active matter. In geometrically confined systems, the formation of globally correlated polar states proceeds through the emergence of a macroscopic steadily rotating vortex, which spontaneously selects a clockwise or counterclockwise global chiral state. In this work, we reveal that a global vortex formed by colloidal rollers exhibits polar state reversal and that a subsequent formation of the collective states upon re-energizing the system is not random. We combine experiments and simulations to elucidate how a combination of hydrodynamic and electrostatic interactions leads to hidden asymmetries in the local particle positional order, reflecting the chiral state of the system. These asymmetries can be exploited to systematically command subsequent polar states of active liquids through temporal control of the activity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1993

Paleomagnetism and Tectonic Interpretations of the Taos Plateau Volcanic Field, Rio Grande Rift, New Mexico

The tectonic response of the Taos Plateau volcanic field in the southern San Luis basin to the late stage extensional environment of the Rio Grande rift was investigated using paleomagnetic techniques. Sixty-two sites (533 samples) of Pliocene volcanic units were collected covering four major rock types with ages of 4.7 to 1.8 Ma. Twenty-two of these sites were from stratigraphic sections of the lower, middle and upper Servilleta Basalt collected in the Rio Grande gorge at two locations 19 km apart. Flows from the lower and middle members in the southern gorge record reversed polarities, while those in Garapata Canyon are normal with an excursion event in the middle of the sequence. The uppermost flows of the upper member at both sites display normal directions. Although these sections correlate chemically, they seem to represent different magnetic time periods during the Gilbert Reversed-Polarity Chiron. Alternating field demagnetization, aided by principal component analysis, yields 55 sites with stable directions representing both normal and reversed polarities, and five sites indicating transitional fields. Mean direction of the normal and inverted reversed sites is I=49.3 deg. and D=356.7 deg. (alpha(sub 95)=3.6 deg). Angular dispersion of the virtual geomagnetic poles is 16.3 deg, which is consistent with paleosecular variation model G, fit to data from the past 5 m.y. Comparison with the expected direction indicates no azimuthal rotation of the Taos Plateau volcanic field; inclination flattening for the southern part of the plateau is 8.3 deg +/- 5.3 deg. Previous paleomagnelic data indicate 10 deg- 15 deg counterclockwise rotation of die Espanola block to the south over the past 5 m.y. The data suggest the Taos Plateau volcanic field, showing no rotation and some flattening in the south and east, has acted as a stable buttress and has been downwarped by overriding of the southeastern end of the plateau by the Picuris Mountains, which make up the northern corner of the counterclockwise rotating Espanola block.

Brown, Laurie L.↗
NASA NTRS1988

The keyhole region in VPPA welds

The morphology and properties of the Variable Polarity Plasma Arc (VPPA) weld composite zone are intimately related to the physical processes associated with the keyhole. The effects of microsegregation and transient weld stress on macrosegregation in the weld tool are examined. In addition the electrical character of straight and reverse polarity portions of the arc cycle were characterized. The results of the former study indicate that alloy 2219 is weldable because large liquid volumes are available during latter stages of weld solidification. Strains in the pool region, acting in conjunction with weld microsegregation can produce macrosegregation great enough to produce radiographic contrast effects in welds. Mechanisms of surface copper enrichment were identified. The latter study has demonstrated that increased heat is delivered to workpieces if the reverse polarity proportion of the weld cycle is increased. Current in the straight polarity portion of the welding cycle increased as the reverse cycle proportion increased. Voltage during reverse polarity segments is large.

Walsh, Daniel W.↗
DOE OSTI2021

Structural, Electrical, and Electromechanical Properties of Inverse Hybrid Perovskites from First-Principles: The Case of (CH 3 NH 3 ) 3 OI

Inverse-hybrid perovskites (IHPs) with large polarization have recently been predicted from first-principles computations. Here, we use one representative from the IHP class of materials, (CH 3 NH 3 ) 3 OI (MA3OI), to propose a route to the first-principles prediction of structural and electrical properties, such as polarization, polarization reversibility, and the associated coercive field for hybrid organic–inorganic perovskites. The route relies on the construction of the polarization reversal path that models experimental measurements. Such a path was found to play an important role in the ground-state search as well as in the identification of competing structural variations. The latter is believed to be the origin of the structural disorder that is characteristic of hybrid organic–inorganic perovskites. The application of such an approach to MA3OI leads to the prediction of several structural variations that are expected to result in a structurally disordered phase above 766 K and of the polar ground state with a polarization of 25.3 μC/cm 2 that is reversible with the application of an electric field. The upper estimate for the coercive field associated with homogeneous polarization reversal is 6.9 GV/m. The piezoelectric constants of MA3OI are predicted to be an order of magnitude smaller in comparison with a prototypical inorganic ferroelectric PbTiO 3 ; however, the low symmetry of the MA3OI structure yields finite values for all components of the piezoelectric tensor. The polarization in MA3OI is tunable by the epitaxial strain (11.5% change under 5% epitaxial strain), although less so as compared with PbTiO 3 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1987

Alternating-Polarity Arc Welding

Brief reversing polarity of welding current greatly improves quality of welds. NASA technical memorandum recounts progress in art of variable-polarity plasma-arc (VPPA) welding, with emphasis on welding of aluminum-alloy tanks. VPPA welders offer important advantages over conventional single-polarity gas/tungsten arc welders.

Schwinghamer, R. J.↗
DOE OSTI2022

Impact of large-scale effects on mass transfer and concentration polarization in Reverse Osmosis membrane systems

Here, we present well-resolved computational fluid dynamics simulations of a large-scale reverse osmosis membrane-spacer configuration (1 m). Our computational model solves the flow and transport equations with variable solute-dependent properties. We utilize a high resolution computational mesh to resolve all relevant length scales associated with spacer-induced mixing and thin concentration boundary layers. An important contribution of this work is the development of a modified mass-transfer correlation that accounts for the development of the concentration boundary layer along the channel. A set of 2D axisymmetric simulations were performed for a spiral wound module layer with varying cross-flow conditions and spacer diameters which indicate a significant entrance length effect for concentration profile development at lower flow rates while mixing effects dominate at higher flow rates. The mass-transfer correlations at higher flow rates compare well with published correlations while a surrogate model for Sherwood number was obtained that depends on an additional similarity variable that accounted for entrance length effects at lower flow rates. Finally, a large-scale membrane-spacer design relevant to high-pressure reverse osmosis is studied with a non-uniform arrangement of spacers, which indicate a substantial saving in pressure drop (~40%) compared to traditional uniformly spaced pattern with minor variations (~2%) in concentration polarization, product water quality (~1%) and water recovery (~7%) compared to a uniform spacer pattern.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Reversible Ferroelectric Polarization Modulation of Chiral Molecular Ferroelectrics by Circularly Polarized Light

Abstract The optical modulation of ferroelectric polarization constitutes a transformative, non‐contact strategy for the precise manipulation of ferroelectric properties, heralding advancements in optically stimulated ferroelectric devices. Despite its potential, progress in this domain is constrained by material limitations and the intricate nature of the underlying mechanisms. Recent studies have achieved efficient regulation of ferroelectric polarization and thermal conductivity in chiral ferroelectric thin films through the application of left‐ and right‐handed circularly polarized light (LCP and RCP). Differential absorption of circularly polarized light (CPL) induces nonequilibrium carrier dynamics, generating distinctive interfacial electrostatic fields that enable precise control of ultrathin ferroelectric films. For (R)‐BINOL−DIPASi and (S)‐BINOL−DIPASi (C 26 H 26 O 2 Si), polarization changes surpass 23%, exhibiting opposite response under LCP and RCP excitation. In R chiral films, remnant polarization decreases from 1.05 µC cm − 2 under LCP to 0.85 µC cm − 2 under RCP, whereas in S chiral films, polarization increases from 0.85 µC cm − 2 under LCP to 0.98 µC cm − 2 under RCP. This reversible modulation facilitates reliable switching between ON and OFF states, presenting the potential of chiral ferroelectric materials for flexible, high‐speed integrated photonic sensor technologies.

Chemistry↗
NASA NTRS1993

Two-polarity magnetization in the Manson impact breccia

A preliminary paleomagnetic study of the impact breccia matrix and clasts has produced surprising results--nearly antipodal normal and reversed polarity magnetic vectors are observed in different portions of the core. Near-antipodal magnetizations within a segment of matrix and within individual samples rule out core inversion as the explanation of the dual polarity. In both the dense and the sandy matrix breccias, the magnetizations of clasts and matrix within the same core segment are identical; this negative 'conglomerate test' indicates that magnetization originated after impact. Paleomagnetic study of the Manson Impact Structure is an attempt to refine the Ar-40/Ar-39 age (65.7 +/- 1 m.y.) that suggests Manson to be a Cretaceous-Tertiary boundary impact. Refinement is possible because the boundary occurs within a reversed polarity interval (29R) of only 0.5 m.y. duration. The two breccia types in the Manson structure were both examined: one of a very dense matrix and apparently partially melted, and the breccia stratigraphically below it of granular or 'sandy' chloritic matrix. Samples were taken from the matrixes and a wide variety of clast compositions, including granite, diabase, gneiss, amphibolite, and melted granite. Currently, measurements have been made on 22 samples, using 30-35 steps of either alternating field (AF) or thermal demagnetization.

Steiner, M. B.↗
DOE OSTI2025

Proximity ferroelectricity in wurtzite heterostructures

Proximity ferroelectricity is an interface-associated phenomenon in electric-field-driven polarization reversal in a non-ferroelectric polar material induced by one or more adjacent ferroelectric materials. Here, in this paper, we report proximity ferroelectricity in wurtzite ferroelectric heterostructures. In the present case, the non-ferroelectric layers are AlN and ZnO, whereas the ferroelectric layers are Al 1−x B x N, Al 1−x Sc x N and Zn 1−x Mg x O. The layered structures include nitride–nitride, oxide–oxide and nitride–oxide stacks that feature two-layer (asymmetric) and three-layer (symmetric) configurations. Ferroelectric switching in both layers is validated by multimodal characterization methods, including polarization hysteresis, anisotropic chemical etching, second harmonic generation, piezo response force microscopy, electromechanical testing and atomic resolution polarization orientation imaging in real space by scanning transmission electron microscopy. We present a physical switching model in which antipolar nuclei originate in the ferroelectric layer and propagate towards the internal non-ferroelectric interface. The domain wall leading edge produces elastic and electric fields that extend beyond the interface at close proximity, reducing the switching barrier in the non-ferroelectric layer, and allowing complete domain propagation without breakdown. Density functional theory calculations of polymorph energies, reversal barriers and domain wall energies support this model. Proximity ferroelectricity enables polarization reversal in wurtzites without the chemical or structural disorder that accompanies elemental substitution, opening new questions and opportunities regarding interface-based ferroelectricity.

36 MATERIALS SCIENCE↗
NASA NTRS2016

Unusual Polar Conditions in Solar Cycle 24 and Their Implications for Cycle 25

We report on the prolonged solar-maximum conditions until late 2015 at the north-polar region of the Sun indicated by the occurrence of high-latitude prominence eruptions (PEs) and microwave brightness temperature close to the quiet-Sun level. These two aspects of solar activity indicate that the polarity reversal was completed by mid-2014 in the south and late 2015 in the north. The microwave brightness in the south-polar region has increased to a level exceeding the level of the Cycle 23/24 minimum, but just started to increase in the north. The northsouth asymmetry in the polarity reversal has switched from that in Cycle 23. These observations lead us to the hypothesis that the onset of Cycle 25 in the northern hemisphere is likely to be delayed with respect to that in the southern hemisphere. We find that the unusual condition in the north is a direct consequence of the arrival of poleward surges of opposite polarity from the active region belt. We also find that multiple rush-to-the-pole episodes were indicated by the PE locations that lined up at the boundary between opposite-polarity surges. The high-latitude PEs occurred in the boundary between the incumbent polar flux and the insurgent flux of opposite polarity.

Gopalswamy, Nat↗
NASA NTRS1988

Effect of a longitudinally applied voltage upon the growth of Zea mays seedlings

The electrical parameters that affect young seedling growth were investigated. Voltages ranging from 5 to 40 volts were applied longitudinally along the mesocotyl region of 4-day old Zea mays L. (cv Silver Queen) seedlings for periods of 3 or 4 hours. It was determined that: (a) making the tips of the seedlings electrically positive relative to the base strongly inhibited shoot growth at 5 volts, whereas the reverse polarity had no effect; (b) at higher voltages, making the tip of the seedlings negative caused less growth inhibition than the reverse polarity at each voltage level; (c) the higher the applied voltage the greater the degree of inhibition; and, (d) the more growth inhibition experienced by the plants the poorer, and slower, their recovery. Previous observations of a relationship between the amount of free indole-3-acetic acid in the mesocotyl cortex and the growth rate of the mesocotyl and of gravitropism-induced movement of labeled indole-3-acetic acid from the seed to the shoot lead to the prediction of a voltage-dependent gating of the movement of indole-3-acetic acid from the stele to the cortex. This provided the basis for attempting to alter the growth rate of seedlings by means of an applied voltage.

NASA Program Space Biology↗
DOE OSTI2024

New examples of ferroelectric nematic materials showing evidence for the antiferroelectric smectic-Z phase

Abstract We present a new ferroelectric nematic material, 4-((4′-((trans)-5-ethyloxan-2-yl)-2′,3,5,6′-tetrafluoro-[1,1′-biphenyl]-4-yl)difluoromethoxy)-2,6-difluorobenzonitrile (AUUQU-2-N) and its higher homologues, the molecular structures of which include fluorinated building blocks, an oxane ring, and a terminal cyano group, all contributing to a large molecular dipole moment of about 12.5 D. We observed that AUUQU-2-N has three distinct liquid crystal phases, two of which were found to be polar phases with a spontaneous electric polarization P s of up to 6 µC cm –2 . The highest temperature phase is a common enantiotropic nematic (N) exhibiting only field-induced polarization. The lowest-temperature, monotropic phase proved to be a new example of the ferroelectric nematic phase (N F ), evidenced by a single-peak polarization reversal current response, a giant imaginary dielectric permittivity on the order of 10 3 , and the absence of any smectic layer X-ray diffraction peaks. The ordinary nematic phase N and the ferroelectric nematic phase N F are separated by an antiferroelectric liquid crystal phase which has low permittivity and a polarization reversal current exhibiting a characteristic double-peak response. In the polarizing light microscope, this antiferroelectric phase shows characteristic zig-zag defects, evidence of a layered structure. These observations suggest that this is another example of the recently discovered smectic Z A (SmZ A ) phase, having smectic layers with the molecular director parallel to the layer planes. The diffraction peaks from the smectic layering have not been observed to date but detailed 2D X-ray studies indicate the presence of additional short-range structures including smectic C-type correlations in all three phases—N, SmZ A and N F —which may shed new light on the understanding of polar and antipolar order in these phases.

36 MATERIALS SCIENCE↗
NASA NTRS1987

The cause of two plasma-tail disconnection events in comet P/Haley during the ICE-Halley radial period

The causes of two plasma-tail disconnection events (DEs), which occurred in Halley's comet on March 20-22 and April 11-12, 1986, during the ICE-Halley radial period, are analyzed using the ICE magnetometer and electron plasma data. It is concluded that the DE of March 20-22 was most likely caused by an IMF polarity reversal. The DE of April 11-12 on the other hand, is attributed to either a compression region in the solar wind, an IMF polarity reversal, or a combination of the two. Assuming that the two DEs are due to frontside reconnection after an IMF reversal, it was estimated that the time period between the onset of reconnection and the final disconnection of the tail is between 0.1 and 0.6 day, suggesting that the average speed at which reconnection proceeds through the cometary magnetic field pile-up region is between 1 and 6 km/sec, or several tenths of the local Alfven speed.

Brosius, J. W.↗
NASA NTRS1985

Drift and observations in cosmic-ray modulation, 2

The significant effect of drift on the radial and latitudinal dependence of cosmic rays for consecutive solar minimum periods is illustrated. Compared with the integral radial gradient observed in 1976, the calculated value seems too small. A detailed comparison will however have to await the forthcoming solar minimum. The same applies to the latitudinal gradient which is as yet inconclusive about drift effects. Searching the literature for observations related to the IMF polarity reversal, distinct differences were found in neutron monitor response functions for consecutive solar minimum periods, and also in the annual variations of cosmic rays observed before and after polarity reversals. Whether drift is the predominant effect is however not yet clear. Better correlation was found between variations in the cosmic ray intensity and solar activity parameters over a much wider range of heliolatitude during 1970-80 compared to before this period.

Potgieter, M. S.↗
DOE OSTI2023

A reduced-order model of concentration polarization in reverse osmosis systems with feed spacers

Feed spacers in reverse osmosis systems generate complex fluid flows that limit computational fluid dynamics (CFD) simulations to small length and time scales. That limits our ability to simulate mineral scaling and other membrane fouling phenomena, which occur over longer length and time scales. Thus motivated, we develop a reduced model that replaces the CFD simulation of the velocity field with an analytical model that mimics spacers. This focuses the remaining numerical effort on simulating the advection–diffusion equation governing solute transport. We motivate and validate the model with CFD simulations and bench-scale experiments of spacer filaments in three different arrangements, including cases of unsteady vortex shedding. We show that the model produces a roughly 10,000-fold speedup compared to CFD, and accurately reproduces CFD predictions of not only the average and maximum concentrations, but also the local concentration distribution along the membrane. Here, we also demonstrate the model for simulating a feed channel with a length-to-height ratio of 200. The model provides a simple testbed for exploratory studies of multispecies transport, precipitation, and membrane fouling phenomena for which simulating spacers is often prohibitive.

Computational fluid dynamics↗