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Pandya, Shishir

Publications and source records attributed to Pandya, Shishir.

At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Pyroelectric thin films—Past, present, and future

Pyroelectrics are a material class that undergoes a change in polarization as the temperature of the system is varied. This effect can be utilized for applications ranging from thermal imaging and sensing to waste-heat energy conversion to thermally driven electron emission. Here, we review recent advances in the study and utilization of thin-film pyroelectrics. Leveraging advances in modeling, synthesis, and characterization has provided a pathway forward in one of the more poorly developed subfields of ferroelectricity. We introduce the complex physical phenomena of pyroelectricity, briefly explore the history of work in this space, and highlight not only new advances in the direct measurement of such effects but also how our ability to control thin-film materials is changing our understanding of this response. Finally, we discuss recent advances in thin-film pyroelectric devices and introduce a number of potentially new directions the field may follow in the coming years.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Large Polarization and Susceptibilities in Artificial Morphotropic Phase Boundary PbZr 1– x Ti x O 3 Superlattices

The ability to produce atomically precise, artificial oxide heterostructures allows for the possibility of producing exotic phases and enhanced susceptibilities not found in parent materials. Typical ferroelectric materials either exhibit large saturation polarization away from a phase boundary or large dielectric susceptibility near a phase boundary. Both large ferroelectric polarization and dielectric permittivity are attained wherein fully epitaxial (PbZr 0.8 Ti 0.2 O 3 ) n /(PbZr 0.4 Ti 0.6 O 3 ) 2 n ( n = 2, 4, 6, 8, 16 unit cells) superlattices are produced such that the overall film chemistry is at the morphotropic phase boundary, but constitutive layers are not. Here, long- ( n ≥ 6) and short-period ( n = 2) superlattices reveal large ferroelectric saturation polarization ( P s = 64 µC cm –2 ) and small dielectric permittivity (ε r ≈ 400 at 10 kHz). Intermediate-period ( n = 4) superlattices, however, exhibit both large ferroelectric saturation polarization ( P s = 64 µC cm –2 ) and dielectric permittivity (ε r = 776 at 10 kHz). First-order reversal curve analysis reveals the presence of switching distributions for each parent layer and a third, interfacial layer wherein superlattice periodicity modulates the volume fraction of each switching distribution and thus the overall material response. This reveals that deterministic creation of artificial superlattices is an effective pathway for designing materials with enhanced responses to applied bias.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Enhanced pyroelectric properties of Bi 1-x La x FeO 3 thin films

There is growing interest in the study of thin-film pyroelectric materials because of their potential for high performance thermal-energy conversion, thermal sensing, and beyond. Electrothermal susceptibilities, such as pyroelectricity, are known to be enhanced in proximity to polar instabilities, and this is conventionally accomplished by positioning the material close to a temperature-driven ferroelectric-to-paraelectric phase transition. The high Curie temperature (T C ) for many ferroelectrics, however, limits the utility of these materials at room-temperature. Here, the nature of pyroelectric response in thin films of the widely studied multiferroic Bi 1-x La x FeO 3 (x = 0-0.45) is probed. While BiFeO 3 itself has a high T C , lanthanum substitution results in a chemically induced lowering of the ferroelectric-to-paraelectric and structural-phase transition. The effect of isovalent lanthanum substitution on the structural, dielectric, ferroelectric, and pyroelectric response is investigated using reciprocal-space-mapping studies; field-, frequency-, and temperature-dependent electrical measurements; and phase-sensitive pyroelectric measurements, respectively. While BiFeO 3 itself has a rather small pyroelectric coefficient at room temperature (~-40 μC/m 2 K), 15% lanthanum substitution results in an enhancement of the pyroelectric coefficient by 100% which is found to arise from a systematic lowering of T C .

36 MATERIALS SCIENCE↗
DOE OSTI2019

Designing Optimal Perovskite Structure for High Ionic Conduction

Solid-oxide fuel/electrolyzer cells are limited by a dearth of electrolyte materials with low ohmic loss and an incomplete understanding of the structure-property relationships that would enable the rational design of better materials. In this work, using epitaxial thin-film growth, synchrotron radiation, impedance spectroscopy, and density-functional theory, the impact of structural parameters (i.e., unit-cell volume and octahedral rotations) on ionic conductivity is delineated in La 0.9 Sr 0.1 Ga 0.95 Mg 0.05 O 3-σ . As compared to the zero-strain state, compressive strain reduces the unit-cell volume while maintaining large octahedral rotations, resulting in a strong reduction of ionic conductivity, while tensile strain increases the unit-cell volume while quenching octahedral rotations, resulting in a negligible effect on the ionic conductivity. Calculations reveal that larger unit-cell volumes and octahedral rotations decrease migration barriers and create low-energy migration pathways, respectively. The desired combination of large unit-cell volume and octahedral rotations is normally contraindicated, but through the creation of superlattice structures both expanded unit-cell volume and large octahedral rotations are experimentally realized, which result in an enhancement of the ionic conductivity. All told, the potential to tune ionic conductivity with structure alone by a factor of ≈ 2.5 at around 600 degrees C is observed, which sheds new light on the rational design of ion-conducting perovskite electrolytes.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Revealing ferroelectric switching character using deep recurrent neural networks

The ability to manipulate domains underpins function in applications of ferroelectrics. While there have been demonstrations of controlled nanoscale manipulation of domain structures to drive emergent properties, such approaches lack an internal feedback loop required for automatic manipulation. Here, using a deep sequence-to-sequence autoencoder we automate the extraction of latent features of nanoscale ferroelectric switching from piezoresponse force spectroscopy of tensile-strained PbZr 0.2 Ti 0.8 O 3 with a hierarchical domain structure. We identify characteristic behavior in the piezoresponse and cantilever resonance hysteresis loops, which allows for the classification and quantification of nanoscale-switching mechanisms. Specifically, we identify elastic hardening events which are associated with the nucleation and growth of charged domain walls. This work demonstrates the efficacy of unsupervised neural networks in learning features of a material's physical response from nanoscale multichannel hyperspectral imagery and provides new capabilities in leveraging in operando spectroscopies that could enable the automated manipulation of nanoscale structures in materials.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Quantifying Intrinsic, Extrinsic, Dielectric, and Secondary Pyroelectric Responses in PbZr 1–x Ti x O 3 Thin Films

Applications such as solid-state waste-heat energy conversion, infrared sensing, and thermally-driven electron emission rely on pyroelectric materials (a subclass of dielectric piezoelectrics) which exhibit temperature-dependent changes in polarization. Although enhanced dielectric and piezoelectric responses are typically found at polarization instabilities such as temperature- and chemically induced phase boundaries, large pyroelectric effects have been primarily limited in study to temperature-induced phase boundaries. Here in this paper, we directly identify the magnitude and sign of the intrinsic, extrinsic, dielectric, and secondary pyroelectric contributions to the total pyroelectric response as a function of chemistry in thin films of the canonical ferroelectric PbZr$_{1-x}$Ti$_x$O$_3$ (x = 0.40, 0.48, 0.60, and 0.80) across the morphotropic phase boundary. Using phase-sensitive frequency and applied dc-bias methods, the various pyroelectric contributions were measured. It is found that the total pyroelectric response decreases systematically as one moves from higher to lower titanium contents. This arises from a combination of decreasing intrinsic response (-232 to -97 μC m$^{-2}$ K$^{-1}$) and a sign inversion (+33 to -17 μC m$^{-2}$ K$^{-1}$)) of the extrinsic contribution upon crossing the morphotropic phase boundary. Additionally, the measured secondary and dielectric contributions span between -70 and -29 and 10-115 μC m$^{-2}$K$^{-1}$) under applied fields, respectively, following closely trends in the piezoelectric and dielectric susceptibility. These findings and methodologies provide novel insights into the understudied realm of pyroelectric response.

36 MATERIALS SCIENCE↗
DOE OSTI2019

New approach to waste-heat energy harvesting: pyroelectric energy conversion

Harvesting waste heat for useful purposes is an essential component of improving the efficiency of primary energy utilization. Today, approaches such as pyroelectric energy conversion are receiving renewed interest for their ability to turn wasted energy back into useful energy. From this perspective, the need for these approaches, the basic mechanisms and processes underlying their operation, and the material and device requirements behind pyroelectric energy conversion are reviewed, and the potential for advances in this area is also discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Pyroelectric and electrocaloric effects in ferroelectric silicon-doped hafnium oxide thin films

The emergent ferroelectricity in HfO 2 -based systems has attracted significant attention as this simple binary high- k dielectric now offers the possibility of nonvolatile function. Here we employ zero-field and field-dependent pyroelectricity to show that thin films of silicon-doped HfO 2 do exhibit a broken-inversion symmetry and are indeed ferroelectric. In addition, the pyroelectric response is found to exhibit a wake-up behavior akin to the wake-up phenomenon observed in the ferroelectric polarization with electric-field cycling. Using polarization-electric field hysteresis measurements, this wake-up phenomenon is attributed to the presence of defect dipoles which explains the measured pyroelectric response. Finally, direct electrocaloric measurements are performed on these silicon-doped HfO 2 thin films, revealing an electrocaloric coefficient ~ 4 times larger in magnitude than that expected for the measured pyroelectric coefficient. This enhancement is explained using the plausible role played by defect dipoles that contribute to additional configurational or dipolar entropy.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Understanding the Role of Ferroelastic Domains on the Pyroelectric and Electrocaloric Effects in Ferroelectric Thin Films

It is well known that temperature- and electric-field-induced structural transitions in a polydomain ferroelectric can have profound effects on its electrothermal susceptibilities. Here, the role of such ferroelastic domains on the pyroelectric and electrocaloric response is experimentally investigated in thin films of the tetragonal ferroelectric PbZr 0.2 Ti 0. 8O 3 . By utilizing epitaxial strain, a rich set of ferroelastic polydomain states spanning a broad thermodynamic phase space are stabilized. Using temperature-dependent scanning-probe microscopy, X-ray diffraction, and high-frequency phase-sensitive pyroelectric measurements, the propensity of domains to reconfigure under a temperature perturbation is quantitatively studied. In turn, the “extrinsic” contributions to pyroelectricity exclusively due to changes between the ferroelastic domain population is elucidated as a function of epitaxial strain. Further, using highly sensitive thin-film resistive thermometry, direct electrocaloric temperature changes are measured on these polydomain thin films for the first time. The results demonstrate that temperature- and electric-field-driven domain interconversion under compressive strain diminish both the pyroelectric and the electrocaloric effects, while both these susceptibilities are enhanced due to the exact-opposite effect from the extrinsic contributions under tensile strain.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Nonstoichiometry, structure, and properties of Ba 1-x TiO y thin films

The effects of growth conditions on the chemistry, structure, electrical leakage, dielectric response, and ferroelectric behavior of Ba 1-x TiO y thin films are explored. Although single-phase, coherently-strained films are produced in all cases, small variations in the laser fluence during pulsed-laser deposition growth result in films with chemistries ranging from BaTiO 3 to Ba 0.93 TiO 2.87 . As the laser fluence increases, the films become more barium deficient and the out-of-plane lattice parameter expands (as much as 5.4% beyond the expected value for Ba 0.93 TiO 2.87 films). Stoichiometric BaTiO 3 films are found to be three orders of magnitude more conducting than Ba 0.93 TiO 2.87 films and the barium-deficient films exhibit smaller low-field permittivity, lower loss tangents, and higher dielectric maximum temperatures. Although large polarization is observed in all cases, large built-in potentials (shifted loops) and hysteresis-loop pinching are present in barium-deficient films – suggesting the presence of defect dipoles. The effects of these defect dipoles on ferroelectric hysteresis are studied using first-order reversal curves. Temperature-dependent current–voltage and deep-level transient spectroscopy studies show at least two defect states, which grow in concentration with increasing deficiency of both barium and oxygen, at ~0.4 eV and ~1.2 eV above the valence band edge, which are attributed to V$^{"}_{Ba}$ defect–V$_{Ö}$dipole complexes and V$^{"}_{Ba}$ defect states, respectively. The defect states can additionally be removed via ex post facto processing. Such work to understand and control defects in this important material could provide a pathway to enable better control over its properties and highlight new avenues to manipulate functions in these complex materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Machine Detection of Enhanced Electromechanical Energy Conversion in PbZr 0.2 Ti 0.8 O 3 Thin Films

Many energy conversion, sensing, and microelectronic applications based on ferroic materials are determined by the domain structure evolution under applied stimuli. New hyperspectral, multidimensional spectroscopic techniques now probe dynamic responses at relevant length and time scales to provide an understanding of how these nanoscale domain structures impact macroscopic properties. Such approaches, however, remain limited in use because of the difficulties that exist in extracting and visualizing scientific insights from these complex datasets. Using multidimensional band-excitation scanning probe spectroscopy and adapting tools from both computer vision and machine learning, an automated workflow is developed to featurize, detect, and classify signatures of ferroelectric/ferroelastic switching processes in complex ferroelectric domain structures. This approach enables the identification and nanoscale visualization of varied modes of response and a pathway to statistically meaningful quantification of the differences between those modes. Lastly, among other things, the importance of domain geometry is spatially visualized for enhancing nanoscale electromechanical energy conversion.

36 MATERIALS SCIENCE↗
NASA NTRS2015

Skylon Aerodynamics and SABRE Plumes

An independent partial assessment is provided of the technical viability of the Skylon aerospace plane concept, developed by Reaction Engines Limited (REL). The objectives are to verify REL's engineering estimates of airframe aerodynamics during powered flight and to assess the impact of Synergetic Air-Breathing Rocket Engine (SABRE) plumes on the aft fuselage. Pressure lift and drag coefficients derived from simulations conducted with Euler equations for unpowered flight compare very well with those REL computed with engineering methods. The REL coefficients for powered flight are increasingly less acceptable as the freestream Mach number is increased beyond 8.5, because the engineering estimates did not account for the increasing favorable (in terms of drag and lift coefficients) effect of underexpanded rocket engine plumes on the aft fuselage. At Mach numbers greater than 8.5, the thermal environment around the aft fuselage is a known unknown−a potential design and/or performance risk issue. The adverse effects of shock waves on the aft fuselage and plumeinduced flow separation are other potential risks. The development of an operational reusable launcher from the Skylon concept necessitates the judicious use of a combination of engineering methods, advanced methods based on required physics or analytical fidelity, test data, and independent assessments.

Mehta, Unmeel↗
NASA NTRS2005

High Fidelity Simulation of a Computer Room

This viewgraph presentation reviews NASA's Columbia supercomputer and the mesh technology used to test the adequacy of the fluid and cooling of a computer room. A technical description of the Columbia supercomputer is also presented along with its performance capability.

Ahmad, Jasim↗
NASA NTRS2003

High Energy Boundary Conditions for a Cartesian Mesh Euler Solver

Inlets and exhaust nozzles are common place in the world of flight. Yet, many aerodynamic simulation packages do not provide a method of modelling such high energy boundaries in the flow field. For the purposes of aerodynamic simulation, inlets and exhausts are often fared over and it is assumed that the flow differences resulting from this assumption are minimal. While this is an adequate assumption for the prediction of lift, the lack of a plume behind the aircraft creates an evacuated base region thus effecting both drag and pitching moment values. In addition, the flow in the base region is often mis-predicted resulting in incorrect base drag. In order to accurately predict these quantities, a method for specifying inlet and exhaust conditions needs to be available in aerodynamic simulation packages. A method for a first approximation of a plume without accounting for chemical reactions is added to the Cartesian mesh based aerodynamic simulation package CART3D. The method consists of 3 steps. In the first step, a components approach where each triangle is assigned a component number is used. Here, a method for marking the inlet or exhaust plane triangles as separate components is discussed. In step two, the flow solver is modified to accept a reference state for the components marked inlet or exhaust. In the third step, the flow solver uses these separated components and the reference state to compute the correct flow condition at that triangle. The present method is implemented in the CART3D package which consists of a set of tools for generating a Cartesian volume mesh from a set of component triangulations. The Euler equations are solved on the resulting unstructured Cartesian mesh. The present methods is implemented in this package and its usefulness is demonstrated with two validation cases. A generic missile body is also presented to show the usefulness of the method on a real world geometry.

Pandya, Shishir↗
NASA NTRS2002

Parametric Powered-Lift Navier-Stokes Computations

The goal of this work is to enable the computation of large numbers of unsteady high-fidelity flow simulations for a YAV-8B Harrier aircraft in ground effect by improving the solution process and taking advantage of NASA parallel supercomputers. The YAV-8B Harrier aircraft can take off and land vertically, or utilize short runways by directing its four exhaust nozzles toward the ground. Transition to forward flight is achieved by rotating these nozzles into a horizontal position.

Chaderjian, Neal M.↗
NASA NTRS2002

Parametric Time-Dependent Navier-Stokes Computations for a YAV-8B Harrier in Ground Effect

The Harrier Jump Jet has the distinction of being the only powered-lift aircraft in the free world to achieve operational status and to have flown in combat. This V/STOL aircraft can take-off and land vertically or utilize very short runways by directing its four exhaust nozzles towards the ground. Transition to forward flight is achieved by rotating these nozzles into a horizontal position. Powered-lift vehicles have certain advantages over conventional strike fighters. Their V/STOL capabilities allow for safer carrier operations, smaller carrier size, and quick reaction time for troop support. Moreover, they are not dependent on vulnerable land-based runways. The AV-8A Harrier first entered service in the British Royal Air Force (RAF) during 1969, and the U.S. Marine Corps (USMC) in 1971. The AV-8B was a redesign to achieve improved payload capacity, range, and accuracy. This modified design first entered service with the USMC and RAF in 1985. The success and unique capabilities of the Harrier has prompted the design of a powered-lift version of the Joint Strike Fighter (JSF). The flowfield for the Harrier near the ground during low-speed or hover flight operations is very complex and time-dependent. A sketch of this flowfield is shown. Warm air from the fan is exhausted from the front nozzles, while a hot air/fuel mixture from the engine is exhausted from the rear nozzles. These jets strike the ground and move out radially forming a ground jet-flow. The ambient freestream, due to low-speed forward flight or - headwind during hover, opposes the jet-flow. This interaction causes the flow to separate and form a ground vortex. The multiple jets also interact with each other near the ground and form an upwash or jet fountain, which strikes the underside of the fuselage. If the aircraft is sufficiently close to the ground, the inlet can ingest ground debris and hot gases from the fountain and ground vortex. This Hot Gas Ingestion (HGI) can cause a sudden loss of thrust (powered lift), and the vehicle may crash. The high-speed jet flow along the ground can also entrain the ambient flow, resulting in a low pressure region underneath the vehicle. The accompanied loss of lift is referred to as the suckdown effect. The ground vortex may also be highly unsteady, dramatically changing its size and position with time at low frequencies, e.g., 1 Hz.

Chaderjian, Neal M.↗