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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

Flux-Closure Domain Structures in Ferroelectric K 0.5 Na 0.5 NbO 3 Thin Films

Topological domain structures in ferroelectric materials have garnered increasing attention due to their intriguing physical properties and promising applications. While most existing topological structures in ferroelectric perovskite oxides originate from tetragonal or rhombohedral bulk phases, much less is understood about their counterparts in orthorhombic ferroelectrics. Here, in this work, we employ ferroelectric K 0.5 Na 0.5 NbO 3 (KNN) thin films as a model system and leverage phase-field simulations to theoretically predict the static structures and dynamic behaviors of three types of flux-closure domain configurations: in-plane (Type-I), out-of-plane (Type-II), and superdomain (Type-III) flux-closure structures. We systematically investigate the effects of finite size, misfit strains, and electrical boundary conditions on the formation and switching of these topological structures. For the Type-I structure, size reduction or small misfit strain facilitates a transition of the flux-closure pattern to polar vortices. Type-II structures emerge under open-circuit electrical boundary conditions of the film, forming at the junctions of specific domain walls with the film surface or the film–substrate interface. The formation mechanisms of these two flux-closure structures are rationalized from an energy perspective. We demonstrated switching capabilities of Type-II and Type-III structures by obtaining polarization–electric field hysteresis loops. Our simulations also reveal a reversible electric-field-induced transition between the orthorhombic and rhombohedral ferroelectric phases with a checkerboard domain pattern, during which the integrity of the flux-closure structure is preserved. These findings provide theoretical insights and practical guidance for identifying and manipulating topological structures in low-symmetry ferroelectrics, paving the way for developing energy-efficient microelectronic devices based on topological structures.

P-E loop↗
DOE OSTI2019

Modeling Concept and Numerical Simulation of Ultrasonic Wave Propagation in a Moving Fluid-Structure Domain based on a Monolithic Approach

Here in the present study, we propose a novel multiphysics model that merges two time-dependent problems – the Fluid-Structure Interaction (FSI) and the ultrasonic wave propagation in a fluid-structure domain with a one directional coupling from the FSI problem to the ultrasonic wave propagation problem. This model is referred to as the “eXtended fluid-structure interaction (eXFSI)” problem. This model comprises isothermal, incompressible Navier-Stokes equations with nonlinear elastodynamics using the Saint-Venant Kirchhoff solid model. The ultrasonic wave propagation problem comprises monolithically coupled acoustic and elastic wave equations. To ensure that the fluid and structure domains are conforming, we use the ALE technique. The solution principle for the coupled problem is to first solve the FSI problem and then to solve the wave propagation problem. Accordingly, the boundary conditions for the wave propagation problem are automatically adopted from the FSI problem at each time step. The overall problem is highly nonlinear, which is tackled via a Newton-like method. The model is verified using several alternative domain configurations. To ensure the credibility of the modeling approach, the numerical solution is contrasted against experimental data.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Strain phase separation: Formation of ferroelastic domain structures

Phase decomposition is a well-known process leading to the formation of two-phase mixtures. Here we show that a strain imposed on a ferroelastic crystal promotes the formation of mixed phases and domains, i.e., strain phase separation with local strains determined by a common tangent construction on the free energy versus strain curves. It is demonstrated that a domain structure can be understood using the concepts of domain/phase rule, lever rule, and coherent and incoherent strain phase separation, in a complete analogy to phase decomposition. The proposed strain phase separation model is validated using phase-field simulations and experimental observations of PbTiO 3 and BiFeO 3 thin films as examples. Finally, the proposed model provides a simple tool to guide and design domain structures of ferroelastic systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Formation of a Domain Structure in Multilayer CoPt Films by Magnetic Probe of an Atomic Force Microscope

Abstract—A possibility of changing the magnetic type structure of multilayer CoPt films under action of the magnetic field of the atomic force microscope probe is demonstrated. A new method of non-contact magnetic-force measurements based on artificial increase in the electrostatic interaction between the probe and the film is proposed. This method enables one to controllably change the distance between a probe and a film, thus changing the strength of the magnetic interaction. Using it, one can create from a uniformly magnetized state both a labyrinth domain structure and isolated domains, which are apparently magnetic skyrmions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Oxygen vacancy dynamics in monoclinic metallic VO 2 domain structures

It was demonstrated recently that the nano-optical and nanoelectronic properties of VO 2 can be spatially programmed through the local injection of oxygen vacancies by atomic force microscope writing. In this work, we study the dynamic evolution of the patterned domain structures as a function of the oxygen vacancy concentration and the time. A threshold doping level is identified that is critical for both the metal–insulator transition and the defect stabilization. The diffusion of oxygen vacancies in the monoclinic phase is also characterized, which is directly responsible for the short lifetimes of sub-100 nm domain structures. This information is imperative for the development of oxide nanoelectronics through defect manipulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Domain Structure and Magnetization Reversal Micromechanisms in Quasi-Two-Dimensional Exchange-Biased Nanomagnetics

Abstract—The domain structure and magnetization reversal mechanisms are studied in quasi-two-dimensional exchange-biased NiFe/FeMn and NiFe/NiO nanomagnetics, using a complex method of magnetooptical indicator films and acoustic emission. The presence of the axial dispersion of unidirectional anisotropy in grains of the antiferromagnetic layer is shown to determine the statistic distribution and chirality of spin springs near the interface. The acoustic emission signals caused by the excitation of elastic Lamb waves upon the magnetization reversal of NiFe/NiO heterostructure are found. The coercive force of these systems is due to irreversible processes to overcome potential barriers that are induced by the formation of spin springs with different chirality, localized in the antiferromagnetic near the ferromagnetic–antiferromagnetic boundary.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2017

Hydrophilic domain structure in polymer exchange membranes: Simulations of NMR spin diffusion experiments to address ability for model discrimination

Here, we detail the development of a flexible simulation program (NMR_DIFFSIM) that solves the nuclear magnetic resonance (NMR) spin diffusion equation for arbitrary polymer architectures. The program was used to explore the proton ( 1 H) NMR spin diffusion behavior predicted for a range of geometrical models describing polymer exchange membranes. These results were also directly compared with the NMR spin diffusion behavior predicted for more complex domain structures obtained from molecular dynamics (MD) simulations. The numerical implementation and capabilities of NMR_DIFFSIM were demonstrated by evaluating the experimental NMR spin diffusion behavior for the hydrophilic domain structure in sulfonated Diels-Alder Poly(Phenylene) (SDAPP) polymer membranes. The impact of morphology variations as a function of sulfonation and hydration level on the resulting NMR spin diffusion behavior were determined. These simulations allowed us to critically address the ability of NMR spin diffusion to discriminate between different structural models, and to highlight the extremely high fidelity experimental data required to accomplish this. A direct comparison of experimental double-quantum-filtered 1 H NMR spin diffusion in SDAPP membranes to the spin diffusion behavior predicted for MD-proposed morphologies revealed excellent agreement, providing experimental support for the MD structures at low to moderate hydration levels.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Giant Undulations Driven by Pitch‐Angle Scattering of Time Domain Structures Modulated by Plasmapause Surface Wave

Abstract Plasmapause surface waves (PSWs) near the plasmapause boundary are regarded to be the magnetospheric source of ionospheric auroral giant undulations (GUs) located at the equatorward boundary of diffuse aurora. However, the observational evidence of wave‐particle interaction connecting PSWs and GUs is absent. In this letter, we demonstrate GUs are driven by pitch‐angle scattering of time domain structures modulated by the PSWs, based on the conjugated ionospheric and magnetospheric observations. Specifically, ionospheric GUs are lighted by the pitch‐angle scattering of <1 keV thermal electron and ions and energetic ions with energy up to dozens of keV near the plasmapause. Further, the total fluxes during one PSW period and energy of scattered electron and ions determine the size and luminosity of GUs. Our research provides observational evidence that PSWs cause periodic electron precipitation via modulating the time domain structures rather than the previously predicted chorus or electron cyclotron harmonic waves.

Zhou, Yi‐Jia [Weihai Institute for Interdisciplina↗
DOE OSTI2016

Hierarchical domain structure of lead-free piezoelectric (Na{sub 1/2} Bi{sub 1/2})TiO{sub 3}-(K{sub 1/2} Bi{sub 1/2})TiO{sub 3} single crystals

We report a unique hierarchical domain structure in single crystals of (Na{sub 1/2}Bi{sub 1/2})TiO{sub 3}-xat. %(K{sub 1/2}Bi{sub 1/2})TiO{sub 3} for x = 5 and 8 by transmission electron microscopy (TEM). A high density of polar nano-domains with a lamellar morphology was found, which were self-assembled into a quadrant-like configuration, which then assembled into conventional ferroelectric macro-domains. Studies by high resolution TEM revealed that the polar lamellar regions contained a coexistence of in-phase and anti-phase oxygen octahedral tilt regions of a few nanometers in size. Domain frustration over multiple length scales may play an important role in the stabilization of the hierarchy, and in reducing the piezoelectric response of this Pb-free piezoelectric solid solution.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Spatially modulated magnetic structure of EuS due to the tetragonal domain structure of SrTiO 3

The combination of ferromagnets with topological superconductors or insulators allows for new phases of matter that support excitations such as chiral edge modes and Majorana fermions. EuS, a wide-bandgap ferromagnetic insulator with a Curie temperature around 16K, and SrTiO 3 (STO), an important substrate for engineering heterostructures, may support these phases. We present scanning superconducting quantum interference device measurements of EuS grown epitaxially on STO that reveal micron-scale variations in ferromagnetism and paramagnetism. These variations are oriented along the STO crystal axes and only change their configuration upon thermal cycling above the STO cubic-to-tetragonal structural transition temperature at 105 K, indicating that the observed magnetic features are due to coupling between EuS and the STO tetragonal structure. Here, we speculate that the STO tetragonal distortions may strain the EuS, altering the magnetic anisotropy on a micron scale. This result demonstrates that local variation in the induced magnetic order from EuS grown on STO needs to be considered when engineering new phases of matter that require spatially homogeneous exchange.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Spontaneous formation of circular and vortex ferroelectric domain structure in hexagonal YMnO{sub 3} and YMn{sub 0.9}Fe{sub 0.1}O{sub 3} prepared by low temperature solution synthesis

We report an experimental study of the domain structure of ferroelectric YMnO{sub 3} and YMn{sub 0.9}Fe{sub 0.1}O{sub 3} using polycrystalline samples prepared by direct hydrothermal crystallisation at 240 °C, well below their structural phase transition temperatures. Powder X-ray diffraction shows the expected P6{sub 3}cm space group for both samples with an increase in a and a small decrease in c with Fe incorporation, consistent with an adjustment of MnO{sub 5} tilting, while XANES spectra at the Mn and Fe K edges show the oxidation state of both metals are maintained at +3 in the doped sample. High resolution TEM shows that curved stripe, annular and vortex domains can all be observed in the YMnO{sub 3} crystals, proving that the structural phase transition is not the only driving force for the occurrence of the annular and vortex domains. Furthermore, the absence of the annular and vortex domains in YMn{sub 0.9}Fe{sub 0.1}O{sub 3} indicates that the tilting state of MnO{sub 5} bipyramids plays an important role in the domain formation. Atomic resolution STEM images confirm that the ferroelectric domain walls correspond to structural antiphase boundaries similar to the crystals made via high temperature solid-state reactions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Dramatic influence of Dy{sup 3+} doping on strain and domain structure in lead-free piezoelectric 0.935(Na{sub 1/2}Bi{sub 1/2})TiO{sub 3}−0.065BaTiO{sub 3} ceramics

An electric-field induced giant strain response and doping level dependent domain structural variations have been studied in the dysprosium (Dy{sup 3+})-modified 0.935(Na{sub 1/2}Bi{sub 1/2})TiO{sub 3}-0.065BaTiO{sub 3}(xDy : NBBT) ceramics with the doping levels of 0%, 0.5%, 1%, and 2%. X-ray diffraction and Raman spectroscopy analyses not only demonstrates the change in ionic configurations induced by Dy{sup 3+} doping, but also shows the local crystal symmetry for x ≥ 0.5% doping levels to deviate from the idealized cubic structure. Piezoresponse force microscopy measurement exhibits the presence of an intermediate phase with orthorhombic symmetry at the critical Dy{sup 3+} doping level of 2%. Moreover, at this doping level, a giant recoverable nonlinear strain of ∼0.44% can be observed with high normalized strain (S{sub max}/E{sub max}) of 728 pm/V. At the same applied field, the strain exhibits a 175% increase than that of NBBT ceramic. Such a large strain stems from the varying coherence lengths of polar nanoregions (PNRs) and an unusual reversible 90° domain switching caused by the symmetry conforming property of point defects, where the restoring force is provided by unswitchable defects. The mechanism reveals a new possibility to achieve large electric-field strain effect for a wide range of ferroelectric systems, which can lead to applications in novel “on-off” actuators.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Magnetization reversal of the domain structure in the anti-perovskite nitride Co{sub 3}FeN investigated by high-resolution X-ray microscopy

We performed X-ray magnetic circular dichroism (XMCD) photoemission electron microscopy imaging to reveal the magnetic domain structure of anti-perovskite nitride Co{sub 3}FeN exhibiting a negative spin polarization. In square and disc patterns, we systematically and quantitatively determined the statistics of the stable states as a function of geometry. By direct imaging during the application of a magnetic field, we revealed the magnetic reversal process in a spatially resolved manner. We compared the hysteresis on the continuous area and the square patterns from the magnetic field-dependent XMCD ratio, which can be explained as resulting from the effect of the shape anisotropy, present in nanostructured thin films.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Interface Engineering of Domain Structures in BiFeO 3 Thin Films

A wealth of fascinating phenomena have been discovered at the BiFeO 3 domain walls, examples such as domain wall conductivity, photovoltaic effects, and magnetoelectric coupling. Thus, the ability to precisely control the domain structures and accurately study their switching behaviors is critical to realize the next generation of novel devices based on domain wall functionalities. In this work, the introduction of a dielectric layer leads to the tunability of the depolarization field both in the multilayers and superlattices, which provides a novel approach to control the domain patterns of BiFeO 3 films. Moreover, we are able to study the switching behavior of the first time obtained periodic 109° stripe domains with a thick bottom electrode. Besides, the precise controlling of pure 71° and 109° periodic stripe domain walls enable us to make a clear demonstration that the exchange bias in the ferromagnet/BiFeO 3 system originates from 109° domain walls. Lastly, our findings provide future directions to study the room temperature electric field control of exchange bias and open a new pathway to explore the room temperature multiferroic vortices in the BiFeO 3 system.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Spin dynamics and frequency dependence of magnetic damping study in soft ferromagnetic FeTaC film with a stripe domain structure

Perpendicular magnetic anisotropy (PMA) and low magnetic damping are the key factors for the free layer magnetization switching by spin transfer torque technique in magnetic tunnel junction devices. The magnetization precessional dynamics in soft ferromagnetic FeTaC thin film with a stripe domain structure was explored in broad band frequency range by employing micro-strip ferromagnetic resonance technique. The polar angle variation of resonance field and linewidth at different frequencies have been analyzed numerically using Landau-Lifshitz-Gilbert equation by taking into account the total free energy density of the film. The numerically estimated parameters Landé g-factor, PMA constant, and effective magnetization are found to be 2.1, 2 × 10{sup 5} erg/cm{sup 3} and 7145 Oe, respectively. The frequency dependence of Gilbert damping parameter (α) is evaluated by considering both intrinsic and extrinsic effects into the total linewidth analysis. The value of α is found to be 0.006 at 10 GHz and it increases monotonically with decreasing precessional frequency.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Tip-induced domain structures and polarization switching in ferroelectric amino acid glycine

Bioorganic ferroelectrics and piezoelectrics are becoming increasingly important in view of their intrinsic compatibility with biological environment and biofunctionality combined with strong piezoelectric effect and a switchable polarization at room temperature. Here, we study tip-induced domain structures and polarization switching in the smallest amino acid β-glycine, representing a broad class of non-centrosymmetric amino acids. We show that β-glycine is indeed a room-temperature ferroelectric and polarization can be switched by applying a bias to non-polar cuts via a conducting tip of atomic force microscope (AFM). Dynamics of these in-plane domains is studied as a function of an applied voltage and pulse duration. The domain shape is dictated by polarization screening at the domain boundaries and mediated by growth defects. Thermodynamic theory is applied to explain the domain propagation induced by the AFM tip. Our findings suggest that the properties of β-glycine are controlled by the charged domain walls which in turn can be manipulated by an external bias.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Charge order–superfluidity transition in a two-dimensional system of hard-core bosons and emerging domain structures

We have used high-performance parallel computations by NVIDIA graphics cards applying the method of nonlinear conjugate gradients and Monte Carlo method to observe directly the developing ground state configuration of a two-dimensional hard-core boson system with decrease in temperature, and its evolution with deviation from a half-filling. This has allowed us to explore unconventional features of a charge order—superfluidity phase transition, specifically, formation of an irregular domain structure, emergence of a filamentary superfluid structure that condenses within of the charge-ordered phase domain antiphase boundaries, and formation and evolution of various topological structures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗