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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Cooling rate dependence of charge density wave phases in 1 T -TaS 2 studied by scanning tunneling microscopy and x-ray diffraction

The role of dynamics in the charge density wave (CDW) phases of 1T-TaS 2 , especially in accessing metastable phases, is still under scrutiny. We investigated cooling rate dependence on low-temperature CDW phases in this material by scanning tunneling microscopy and x-ray diffraction. In the majority of cases, we found the typical low temperature commensurate CDW and identified no other differences between samples that were fast cooled vs slow cooled from room temperature. In rare cases (1/18 STM experiments and 1/30 XRD experiments), we found a multi-domain structure in the low temperature CDW. The domain structure and metallic behavior revealed by STM and STS measurements of this phase are in excellent agreement with the previously reported metallic mosaic CDW phase.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Magnetic Vortex and Hyperthermia Suppression in Multigrain Iron Oxide Nanorings

Single-crystal iron oxide nanorings have been proposed as a promising candidate for magnetic hyperthermia application because of their unique shape-induced vortex-domain structure, which supports good colloidal stability and enhanced magnetic properties. However, the synthesis of single crystalline iron oxide has proven to be challenging. In this article, we showed that chemically synthesized multigrain magnetite nanorings disfavor a shape-induced magnetic vortex-domain structure. Our results indicate that the multigrain Fe 3 O 4 nanorings with an average outer diameter of ~110 nm and an inner to outer diameter ratio of ~0.5 do not show a shape-induced vortex-domain structure, which was observed in the single-crystal Fe 3 O 4 nanorings of similar dimensions. At 300 Ks, multigrain magnetite nanorings showed an effective anisotropy field of 440 Oe, which can be attributed to its high surface area and intraparticle interaction. Both calorimetric and AC loop measurements showed a moderate inductive heating efficiency of multigrain magnetite nanorings of ~300 W/g at 800 Oe. Our results shed light on the magnetic ground states of chemically synthesized multigrain Fe 3 O 4 nanorings.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Molecular ferroelectric contributions to anomalous hysteresis in hybrid perovskite solar cells

We report a model describing the molecular orientation disorder in CH{sub 3}NH{sub 3}PbI{sub 3}, solving a classical Hamiltonian parametrised with electronic structure calculations, with the nature of the motions informed by ab initio molecular dynamics. We investigate the temperature and static electric field dependence of the equilibrium ferroelectric (molecular) domain structure and resulting polarisability. A rich domain structure of twinned molecular dipoles is observed, strongly varying as a function of temperature and applied electric field. We propose that the internal electrical fields associated with microscopic polarisation domains contribute to hysteretic anomalies in the current-voltage response of hybrid organic-inorganic perovskite solar cells due to variations in electron-hole recombination in the bulk.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Simultaneous imaging of the ferromagnetic and ferroelectric structure in multiferroic heterostructures

By measuring the spin polarization of secondary electrons and the intensity of backscattered electrons generated in a scanning electron microscope, we are able to simultaneously image the ferromagnetic domain structure of a ferromagnetic thin film and the ferroelectric domain structure of the underlying ferroelectric substrate upon which it is grown. Simultaneous imaging allows straightforward, quantitative measurements of the correlations in these complex multiferroic systems. We have successfully imaged domains in CoFe/BFO and Fe/BTO, two systems with very different ferromagnet/ferroelectric coupling mechanisms, demonstrating how this technique provides a new local probe of magneto electric/strictive effects in multiferroic heterostructures.

36 MATERIALS SCIENCE↗
DOE OSTI2025

A Trichomonas vaginalis C2-XYPPX-repeat protein with a structured C2 domain displaying dampened flexibility upon binding calcium

C2 domains are ubiquitous membrane-binding modules of ∼130 residues in eukaryotes that are often associated with proteins involved in membrane trafficking and lipid modification. The genome of Trichomonas vaginalis, the most common, non-viral, sexually transmitted human pathogen, encodes eight genes that contain a N-terminal C2 module linked to a XYPPX-repeat domain of more than four XYPPX repeats (C2-XYPPX). While the function of the XYPPX-repeat domain remains unknown, its multiple association with C2 domains in T. vaginalis suggests it is important. Here, the C2 domain from one of these C2-XYPPX-repeat proteins, Tv-C2-1, was structurally and physically characterized using X-ray crystallography and NMR spectroscopy. The crystal structure for Tv-C2-1 shows that this domain shares a fold common to all C2 domains, a compact Greek-key motif composed of eight anti-parallel β-strands in the type-2 topology. An NMR chemical shift perturbation study with Ca 2+ showed that Tv-C2-1 bound two Ca 2+ atoms primarily via two loops (loop-1 and loop-3) on the predicted calcium binding face of the protein with K d s of 58.0 ± 0.1 μM and 232 ± 6 μM. Estimations of the overall rotational correlation time, τ c , in the apo (11.1 ns) and Ca 2+ -bound (9.2 ns) state suggests the protein becomes more compact upon Ca 2+ binding, consistent with a decrease in dynamics in loop-3 and marginally in loop-1 suggested by amide 15 N heteronuclear steady-state { 1 H}- 15 N NOEs. Showing Tv-C2-1 binds calcium and adopts a compact Greek-key motif structure, two primary features of C2 domains, suggests understanding the function of the XYPPX-repeat domain may be warranted.

NMR spectroscopy↗
DOE OSTI2020

Scaling behavior of low-temperature orthorhombic domains in the prototypical high-temperature superconductor La 1.875 Ba 0.125 CuO 4

Structural symmetry breaking and recovery in condensed-matter systems are closely related to exotic physical properties such as superconductivity (SC), magnetism, spin density waves, and charge density waves (CDWs). The interplay between different order parameters is intricate and often subject to intense debate, as in the case of CDW order and superconductivity. In La 1.875 Ba 0.125 CuO 4 (LBCO), the low-temperature structural domain walls are hypothesized as nanometer-scale pinning sites for the CDWs. Coherent x-ray diffraction techniques have been employed here to visualize the domain structures associated with these symmetry changes directly during phase transition. We have pushed Bragg coherent diffractive imaging (BCDI) into the cryogenic regime where most phase transitions in quantum materials reside. Utilizing BCDI, we image the structural evolution of LBCO microcrystal samples during the high-temperature tetragonal to low-temperature orthorhombic (LTO) phase transition. Our results show the formation of LTO domains close to the transition temperature and how the domain size decreases with temperature. In conclusion, the number of domains follows the secondary order parameter (or orthorhombic strain) measurement with a critical exponent that is consistent with the three-dimensional universality class.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Characterization and structure of the human lysine-2-oxoglutarate reductase domain, a novel therapeutic target for treatment of glutaric aciduria type 1

In humans, a single enzyme 2-aminoadipic semialdehyde synthase (AASS) catalyses the initial two critical reactions in the lysine degradation pathway. This enzyme evolved to be a bifunctional enzyme with both lysine-2-oxoglutarate reductase (LOR) and saccharopine dehydrogenase domains (SDH). Moreover, AASS is a unique drug target for inborn errors of metabolism such as glutaric aciduria type 1 that arise from deficiencies downstream in the lysine degradation pathway. While work has been done to elucidate the SDH domain structurally and to develop inhibitors, neither has been done for the LOR domain. Here, we purify and characterize LOR and show that it is activated by alkylation of cysteine 414 by N-ethylmaleimide. We also provide evidence that AASS is rate-limiting upon high lysine exposure of mice. Finally, we present the crystal structure of the human LOR domain. Our combined work should enable future efforts to identify inhibitors of this novel drug target.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Tuning the polar states of ferroelectric films via surface charges and flexoelectricity

In this work, using the self-consistent Landau-Ginzburg-Devonshire approach we simulate and analyze the spontaneous formation of the domain structure in thin ferroelectric films covered with the surface screening charge represented by the Bardeen-type surface states. Hence we consider the competition between the screening and the domain formation as alternative ways to reduce the electrostatic energy and reveal unusual peculiarities of distributions of polarization, electric and elastic fields conditioned by the surface screening length and the flexocoupling strength. We have established that the critical thickness of the film and its transition temperature to a paraelectric phase strongly depend on the Bardeen screening length, while the flexocoupling affects the polarization rotation and closure domain structure. Furthermore the flexocoupling induces ribbon-like nano-scale domains in the film depth far from the top open surface, which might be related to the enigmatic polar nanoregions in relaxor ferroelectrics. Thus the joint action of the surface screening (originating from e.g. the adsorption of ambient ions or surface states) and flexocoupling may remarkably modify polar and electromechanical properties of thin ferroelectric films.

36 MATERIALS SCIENCE↗
DOE OSTI2015

180° Ferroelectric Stripe Nanodomains in BiFeO 3 Thin Films

We present that there is growing evidence that domain walls in ferroics can possess emergent properties that are absent in the bulk. For example, 180° ferroelectric domain walls in the ferroelectric-antiferromagnetic BiFeO 3 are particularly interesting because they have been predicted to possess a range of intriguing behaviors, including electronic conduction and enhanced magnetization. To date, however, ordered arrays of such domain structures have not been reported. Here, we report the observation of 180° stripe nanodomains in (110)-oriented BiFeO 3 thin films grown on orthorhombic GdScO 3 (010)O substrates and their impact on exchange coupling to metallic ferromagnets. Nanoscale ferroelectric 180° stripe domains with { $ 11\bar{2} $} domain walls were observed in films <32 nm thick. With increasing film thickness, we observed a domain structure crossover from the depolarization field-driven 180° stripe nanodomains to 71° ferroelastic domains determined by the elastic energy. These 180° domain walls (which are typically cylindrical or meandering in nature due to a lack of strong anisotropy associated with the energy of such walls) are found to be highly ordered. Additional studies of Co 0.9 Fe 0.1 /BiFeO 3 heterostructures reveal exchange bias and exchange enhancement in heterostructures based on BiFeO 3 with 180° domain walls and an absence of exchange bias in heterostructures based on BiFeO 3 with 71° domain walls; suggesting that the 180° domain walls could be the possible source for pinned uncompensated spins that give rise to exchange bias. This is further confirmed by X-ray circular magnetic dichroism studies, which demonstrate that films with predominantly 180° domain walls have larger magnetization than those with primarily 71° domain walls. In conclusion, our results could be useful to extract the structure of domain walls and to explore domain wall functionalities in BiFeO 3 .

36 MATERIALS SCIENCE↗
DOE OSTI2014

Surface double-layer structure in (110) oriented BiFeO{sub 3} thin film

Surface double-layer structure different from the interior was found in BiFeO{sub 3} thin film grown on SrRuO{sub 3} covered SrTiO{sub 3} (110) substrate by pulsed laser deposition. It was shown that BiFeO{sub 3} film exhibits epitaxial phase with single domain. X-ray reflectivity and X-ray photoelectron spectroscopy results revealed a skin layer of less than 1 nm with a reduced electron density and different surface state. Grazing incidence x-ray diffraction convinced a surface multi-domain structure of several nm beneath the surface skin layer. The double-layer near surface structure would be originated from the large depolarization field produced by the single-domain structure with strain.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Domain pinning near a single-grain boundary in tetragonal and rhombohedral lead zirconate titanate films

The interaction of grain boundaries with ferroelectric domain walls strongly influences the extrinsic contribution to piezoelectric activity in Pb(Zr,Ti)O 3 (PZT), ubiquitous in modern transducers and actuators. However, the fundamental understanding of these phenomena has been limited by complex mechanisms originating from the interplay of atomic-level domain wall pinning, collective domain wall dynamics, and emergent mesoscopic behavior. This contribution utilizes engineered grain boundaries created by depositing epitaxial PZT films with various Zr:Ti ratio onto 24º SrTiO 3 tilt bicrystals. The nonlinear piezoelectric response and surface domain structure across the boundary are investigated using piezoresponse force microscopy whilst cross section domain structure is studied using transmission electron microscopy. The grain boundary reduces domain wall motion over a width of 800±70 nm for PZT 45:55 and 450±30 nm for PZT 52:48. Phase field modeling provides an understanding of the elastic and electric fields associated with the grain boundary and local domain configurations. In conclusion, this study demonstrates that complex mesoscopic behaviors can be explored to complement atomic-level pictures of the material system.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Domain patterning by electron beam of MgO doped lithium niobate covered by resist

Periodical domain structuring by focused electron beam irradiation of MgO-doped lithium niobate (MgOCLN) single crystalline plate covered by resist layer was studied both experimentally and by computer simulation. The dependences of domain size on the charge dose and distance between isolated domains were measured. It has been shown that the quality of periodical domain pattern depends on the thickness of resist layer and electron energy. The experimentally obtained periodic domain structures have been divided into four types. The irradiation parameters for the most uniform patterning were obtained experimentally. It was shown by computer simulation that the space charge slightly touching the crystal surface produced the maximum value of electric field at the resist/LN interface thus resulting in the best pattern quality. The obtained knowledge allowed us to optimize the poling process and to make the periodical domain patterns in 1-mm-thick wafers with an area up to 1 × 5 mm{sup 2} and a period of 6.89 μm for green light second harmonic generation. Spatial distribution of the efficiency of light frequency conversion confirmed the high homogeneity of the tailored domain patterns.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Large-scale phase separation with nano-twin domains in manganite spinel (Co,Fe,Mn){sub 3}O{sub 4}

The effect of Mn concentration on the formation of nano-domain structures in the spinel oxide (Co,Fe,Mn){sub 3}O{sub 4} was investigated by electron diffraction, bright-, and dark-field imaging technique with transmission electron microscopy. Large scale phase separation with nano-twin domains was observed in Co{sub 0.6}Fe{sub 1.0}Mn{sub 1.4}O{sub 4}, in contrast to the highly aligned checkerboard nano-domains in Co{sub 0.6}Fe{sub 0.9}Mn{sub 1.5}O{sub 4}. Diffusion of the Mn{sup 3+} ions with the Jahn-Teller distortions is suggested to play an important role in the formation of checkerboard nano-domain structure.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1993

Partially Grooved Domain Stabilization Structures for Vertical Bloch Line Memory

Bias field stability ranges were measured and numerically simulated for magnetic domains ingarnets stabilized by partially grooved rectangular and ring grooves. Simulation results agreefavorably with experimental results when finite slope effects of the groove walls are included. Asbias fields increase, rectangular and ring domains both destabilize through stripe head recession. Asbias fields decrease, destabilization in rectangular domains occurs by runout, while destabilization inring domains occurs by midstripe domain buckling. While ring domains are stable at lower biasfields than rectangular domains, bias field stability ranges are approximately equal. Hence, for thesame partial grooving depth, rectangular domains are preferred because they offer higher storagedensity potential in Vertical Block Line (VBL) storage arrays as long as bit propagation margins atstripe ends are sufficient.

Katti, R. R.↗
DOE OSTI2021

Precipitation Hardening in Ferroelectric Ceramics

Domain wall motion in ferroics, similar to dislocation motion in metals, can be tuned by well-concepted microstructural elements. In demanding high-power applications of piezoelectric materials, the domain wall motion is considered as a lossy hysteretic mechanism that should be restricted. Current applications for so-called hard piezoelectrics are abundant and hinge on the use of an acceptor-doping scheme. However, this mechanism features severe limitations due to enhanced mobility of oxygen vacancies at moderate temperatures. By analogy with metal technology, the authors present here a new solution for electroceramics, where precipitates are utilized to pin domain walls and improve piezoelectric properties. Through a sequence of sintering, nucleation, and precipitate growth, intragranular precipitates leading to a fine domain structure are developed as shown by transmission electron microscopy, piezoresponse force microscopy, and phase-field simulation. This structure impedes the domain wall motion as elucidated by electromechanical characterization. As a result, the mechanical quality factor is increased by ≈50% and the hysteresis in electrostrain is suppressed considerably. This is even achieved with slightly increased piezoelectric coefficient and electromechanical coupling factor. This novel process can be smoothly implemented in industrial production processes and is accessible to simple laboratory experimentation for microstructure optimization and implementation in various ferroelectric systems.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Magnetic Snell's law and spin-wave fiber with Dzyaloshinskii-Moriya interaction

Spin waves are collective excitations propagating in the magnetic medium with ordered magnetizations. Magnonics, utilizing the spin wave (magnon) as an information carrier, is a promising candidate for low-dissipation computation and communication technologies. In this work, we discover that, due to the Dzyaloshinskii-Moriya interaction, the scattering behavior of the spin wave at a magnetic domain wall follows a generalized Snell's law, where two magnetic domains work as two different mediums. Similar to optical total reflection that occurs at water-air interfaces, spin waves may experience total reflection at the magnetic domain walls when their incident angle is larger than a critical value. We design a spin-wave fiber using a magnetic domain structure with two domain walls, and demonstrate that such a spin-wave fiber can transmit spin waves over long distances by total internal reflections, in analogy to an optical fiber.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗