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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 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

High Mobility, High Carrier Density SnSe 2 Field‐Effect Transistors with Ultralow Subthreshold Swing and Gate‐Controlled Photoconductance Switching

2D and layered semiconductors are considered as promising electronic materials, particularly for applications that require high carrier mobility and efficient field-effect switching combined with mechanical flexibility. To date, however, the highest mobility has been realized primarily at low carrier concentration. Here, it is shown that few-layer/multilayer SnSe 2 gated by a solution top gate combines very high room-temperature electron mobility (up to 800 cm 2 V −1 s −1 ), along with large on-off current ratios (>10 5 ) and a subthreshold swing below the thermodynamic limit (50 mV per decade) in field-effect devices, at exceptionally large sheet carrier concentrations of ≈10 13 cm −2 . Observed mobility enhancements upon partial depletion of the channel point to near-surface defects or impurities as the mobility-limiting scattering centers. Under illumination, the resulting gap states give rise to gate-controlled switching between positive and negative photoconductance. The results qualify SnSe 2 as a promising layered semiconductor for flexible and wearable electronics, as well as for the realization of advanced approaches to photodetection.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Scan‐Path‐ and Initial‐State‐Dependent Superdomain Switching in (111)‐Oriented PZT

Polarization switching in ferroelectric materials arises from the collective evolution of complex domain hierarchies, yet deterministic control over these processes remains challenging. Here, we investigate scan-path- and initial-state-dependent switching in epitaxial (111)-oriented PbZr 0.2 Ti 0.8 O 3 thin films using automated AFM-based writing combined with quantitative 3D piezoresponse force microscopy. We show that the scan trajectory acts as an experimentally accessible control parameter for superdomain formation. Box-in-box raster scans reproducibly stabilize ordered stripe superdomains with a reduced subset of symmetry-allowed variants, whereas spiral trajectories generate frustrated mixed-variant states with a broader distribution of final microstructures. Automated pulsing experiments further show that the local superdomain configuration at the nucleation site strongly influences the final written morphology. Phase-field modeling qualitatively reproduces the contrast between representative initial-state geometries and supports the role of compatibility constraints among competing ferroelastic pathways. These findings establish scan-path and initial-state engineering as practical handles to program ferroic order in hierarchical ferroelectric domain structures.

Vasudevan, Rama K. [Oak Ridge National Laboratory ↗
DOE OSTI2016

Controlled Generation of Singlet Oxygen in Living Cells with Tunable Ratios of the Photochromic Switch in Metal–Organic Frameworks

Abstract Development of a photosensitizing system that can reversibly control the generation of singlet oxygen ( 1 O 2 ) is of great interest for photodynamic therapy (PDT). Recently several photosensitizer–photochromic‐switch dyads were reported as a potential means of the 1 O 2 control in PDT. However, the delivery of such a homogeneous molecular dyad as designed (e.g., optimal molar ratio) is extremely challenging in living systems. Herein we show a Zr‐MOF nanoplatform, demonstrating energy transfer‐based 1 O 2 controlled PDT. Our strategy allows for tuning the ratios between photosensitizer and the switch molecule, enabling maximum control of 1 O 2 generation. Meanwhile, the MOF provides proximal placement of the functional entities for efficient intermolecular energy transfer. As a result, the MOF nanoparticle formulation showed enhanced PDT efficacy with superior 1 O 2 control compared to that of homogeneous molecular analogues.

Park, Jihye↗
DOE OSTI2021

Thermal and Magnetic Field Switching in a Two-Step Hysteretic Mn III Spin Crossover Compound Coupled to Symmetry Breakings

In this work, a Mn III spin crossover complex with atypical two-step hysteretic thermal switching at 74 K and 84 K shows rich structural–magnetic interplay and magnetic-field-induced spin state switching below 14 T with an onset below 5 T. The spin states, structures, and the nature of the phase transitions are elucidated via X-ray and magnetization measurements. An unusual intermediate phase containing four individual sites, where 1\4 are in a pure low spin state, is observed. The splitting of equivalent sites in the high temperature phase into four inequivalent sites is due to a structural reorganization involving a primary and a secondary symmetry-breaking order parameter that induces a crystal system change from orthorhombic→monoclinic and a cell doubling. Further cooling leads to a reconstructive phase transition and a monoclinic low-temperature phase with two inequivalent low-spin sites. The coupling between the order parameters is identified in the framework of Landau theory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Fast redox switches lead to rapid transformation of goethite in humid tropical soils: A Mössbauer spectroscopy study

Abstract Humid tropical forest soils experience frequent rainfall, which limits oxygen diffusion and creates redox heterogeneity in upland soils. In this study we gauged the effect of short‐term anoxic conditions on Fe mineralogy of relatively Fe‐ and C‐rich surface soils (C/Fe mole ratio ∼5) from a humid tropical forest in Puerto Rico. Soils subjected to 4‐d oxic/anoxic oscillation were characterized by selective chemical extractions, Mössbauer spectroscopy (MBS), and X‐ray diffraction. Chemical extraction data suggested that rapidly switching redox conditions had subtle effects on bulk Fe mineralogy. Mössbauer, on the other hand, indicated that (a) the soil Fe is a mixture of goethites of varying characteristics with minor contributions from ferrihydrite (<5%) and Fe(III)‐organic matter (OM) phases (∼10%), and (b) anoxic conditions rapidly transformed all forms of goethite to relatively stable Fe oxides. Such fast changes in goethite features could be due to rapid depletion and sorption of bio‐released structural Al or sorbed OM onto residual soil components. The rapid temporal changes in MBS parameters and corresponding pore water nominal oxidation state of C values suggest that Fe‐C transformations in these upland tropical soils are complex and intricately coupled. A comprehensive understanding of the fate of Fe, Al, and OM (Fe‐organic moieties) during redox switches and concurrent changes in pore water chemistry is critical for development of robust transport models in humid tropical soils, which are subject to episodic low‐redox events.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Characterization of renal stone composition by using fast kilovoltage switching dual-energy computed tomography compared to laboratory stone analysis: a pilot study

Purpose: To prospectively examine the diagnostic performance of fast kilovoltage switching dual-energy computed tomography (DECT) in characterization of in vivo renal stone composition compared with postoperative stone analysis. Methods: Consecutive consenting patients scheduled for endoscopic kidney stone surgery in a tertiary referral hospital from June 2015 to January 2016 were enrolled. Patients were preoperatively scanned with single-source, fast kilovoltage switching DECT. Stone compositions were determined regarding the effective atomic number measurements. Results of the stone compositions from DECT were compared to postoperative infrared spectroscopy stone analysis as the standard reference. Results: For the 39 patients enrolled in the study, DECT was able to detect uric acid stone with sensitivity of 88.9% and specificity of 100%. There was 100% positive predictive value, 96.8% negative predictive value, and 97.4% accuracy. For non-contrast CT scan, sensitivity was 88.9%, specificity was 96.7%, positive predictive value was 88.9%, negative predictive value was 96.7%, and accuracy was 94.8%. Of the 39 samples examined, 21 (54%) were single composition, whereas 18 (46%) were combined. Single composition stones were correctly characterized by DECT in 100% (8/8) for uric acid. Whereas the result of uric acid stone containing stone discrimination in mixed composition was not so good with Z{sub eff} alone, iodine imaging can compensated this fault. Conclusions: DECT provides excellent accuracy in characterizing uric acid stone compositions. With the addition of iodine image, all of uric acid-containing stones can be determined by the DECT.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2019

Rapid kVp switching dual-energy CT in the assessment of urolithiasis in patients with large body habitus: preliminary observations on image quality and stone characterization

Purpose: The purpose of this study was to investigate the image quality (IQ) considerations of rapid kVp switching dual-energy CT (rsDECT) in the assessment of urolithiasis in patients with large body habitus and to evaluate whether it allows stone characterization. Materials and methods: In this IRB-approved, HIPAA compliant retrospective study, 93 consecutive patients (M/F = 72/21, mean age 56.9 years, range 23–83 years) with large body habitus (> 90 kg/198 lbs) who underwent dual-energy (DE) stone protocol CT on a rapid kVp switching DECT scanner between January 2013 and December 2016 were included. Scan acquisition protocol included an initial unenhanced single-energy CT (SECT) scan of KUB followed by targeted DECT in the region of stones. Two readers evaluated both CT data sets (axial 5 mm 120 kVp/140 kVp QC/70 keV monoenergetic, material density water/iodine images and coronal/sagittal 3 mm images) for the assessment of image quality (Scores: 1–4) and characterization of stone composition (reference standard: crystallography). Results: One hundred and five CT examinations were performed in 93 patients (mean body weight 105.12 ± 13.53 kg, range 91–154 kg), and a total of 321 urinary tract calculi (mean size-4.8 ± 3.2 mm, range 1.2–22 mm) were detected. Both SECT and targeted monoenergetic images were of acceptable image quality (mean IQ: 3.77 and 3.83, kappa 0.79 and 0.87 respectively). Material density water and iodine images had lower IQ scores (mean IQ: 2.97 and 3.09 respectively) with image quality deterioration due to severe photon starvation/streak artifacts in 20% (21/105) and 17% (18/105) scans, respectively. Characterization of stone composition into uric acid/non-uric acid stones was achieved in 93.14% (299/321) of calculi (mean size: 4.99 ± 3.3 mm, range 1.2–22 mm), while 7% (22/321) stones could not be characterized (mean size 3.03 ± 1.16 mm, range 1.6–6.4 mm) (p < 0.001). Most common reason for non-characterization was image quality deterioration of the material density iodine images due to severe photon starvation artifacts. On multivariate regression, stone size and patient weight were predictors of stone composition determination on DECT (p < 0.05). The transverse diameter had a weak negative correlation with stone composition determination, but it was not statistically significant. Stone characterization into uric acid vs. non-uric acid stones was accurate in 95% (n = 38/40) of stones in comparison with crystallography. Conclusion: In patients with large body habitus, rsDECT allowed characterization of most calculi (93%) despite image quality deterioration due to photon starvation/streak artifacts in up to 20% of material density images. Stone size and patient weight were predictors of stone composition determination on DECT, and small calculi in very large patients may not be characterized.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2018

Switching of Coercivity Process in MnBi Alloys

MnBi-based alloys represent an interesting choice for developing rare earth-free permanent magnets due to the high magnetocrystalline anisotropy of their characteristic low-temperature intermetallic phase (LTIP) with hexagonal structure. In this work, we discuss the switching of coercivity mechanism in MnBi alloys by modulation of their phase distribution and microstructure. As-cast MnBi alloys obtained by suction-casting technique exhibited LTIP interspersed within Bi- and Mn-rich areas. A noticeable coercivity field of 282 kA/m was observed. The coercivity mechanism for this alloy was explained in terms of the nucleation of reverse domains after saturation, by means of the Kronmüller equation, which incorporates the detrimental effect of microstructure defects through fitting parameters associated to reduced intrinsic magnetic properties at grain size boundaries, interfaces, and local demagnetizing fields. Subsequent annealing at 583 K for 24 h produced a marked reduction of coercivity (down to 16 kA/m), reflecting a switching of coercivity process from nucleation to pinning of domain walls. The key microstructural feature determining this variation is the formation/suppression of Bi-rich areas, which promotes the nucleation and growth of the initial MnBi intermetallic phase.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Dynamic Magnetization Switching in NiO Nanoparticles: Pulsed Field Magnetometry Study

The dynamic magnetization switching of antiferromagnetic nickel oxide nanoparticles with a characteristic size of 8 nm has been experimentally investigated by pulsed field magnetometry. It is shown that, due to the presence of defects in NiO nanoparticles, as in other antiferromagnetic particles, the uncompensated magnetic moment is induced by the incomplete compensation of spins at the antiferromagnetic ordering. The dynamic magnetic hysteresis loops have been studied in pulsed fields with the maximum field (H{sub max}) of up to 130 kOe and pulse lengths (τ{sub P}) of 4, 8, and 16 ms. According to the results obtained, the coercivity (H{sub C}) depends on both the τ{sub P} and H{sub max} values. The observed increase in the H{sub C} value with decreasing pulse length (i.e., with increasing switching field frequency) is unambiguously related with the relaxation processes typical of single-domain ferromagnetic nanoparticles. However, the observed effect of the maximum applied field (H{sub max}) on the H{sub C} value is assumed to be a feature of antiferromagnetic nanoparticles.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Distributions of Functionals of Switching Diffusions

The paper deals with methods of computation of distributions of functionals of switching diffusions. The switching between two collections of diffusion coefficients occurs at the Poisson time moments which are independent of the initial diffusions. One can also consider more general diffusions when the choice is made from three or more collections of diffusion coefficients.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Suppression of tau propagation using an inhibitor that targets the DK-switch of nSMase2

Highlights: • Cambinol inhibits spread of AD synaptosome derived tau seeds, from donor to recipient cells. • Cambinol inhibits nSMase2 through targeting the DK-switch in its active site. • Cambinol inhibits EV-mediated tau propagation. • Cambinol has low brain permeability and inhibition of nSMase activity in vivo. Targeting of molecular pathways involved in the cell-to-cell propagation of pathological tau species is a novel approach for development of disease-modifying therapies that could block tau pathology and attenuate cognitive decline in patients with Alzheimer's disease and other tauopathies. We discovered cambinol through a screening effort and show that it is an inhibitor of cell-to-cell tau propagation. Our in vitro data demonstrate that cambinol inhibits neutral sphingomyelinase 2 (nSMase2) enzyme activity in dose response fashion, and suppresses extracellular vesicle (EV) production while reducing tau seed propagation. Our in vivo testing with cambinol shows that it can reduce the nSMase2 activity in the brain after oral administration. Our molecular docking and simulation analysis reveals that cambinol can target the DK-switch in the nSMase2 active site.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Reduced dislocation density in Ga x In 1–x P compositionally graded buffer layers through engineered glide plane switch

In this work we develop control over dislocation glide dynamics in Ga x In 1-x P compositionally graded buffer layers (CGBs) through control of CuPt ordering on the group-III sublattice. The ordered structure is metastable in the bulk, so any glissile dislocation that disrupts the ordered pattern will release stored energy, and experience an increased glide force. Here we show how this connection between atomic ordering and dislocation glide force can be exploited to control the threading dislocation density (TDD) in Ga x In 1-x P CGBs. When ordered Ga x In 1-x P is graded from the GaAs lattice constant to InP, the order parameter ..eta.. decreases as x decreases, and dislocation glide switches from one set of glide planes to the other. This glide plane switch (GPS) is accompanied by the nucleation of dislocations on the new glide plane, which typically leads to increased TDD. We develop control of the GPS position within a Ga x In 1-x P CGB through manipulation of deposition temperature, surfactant concentration, and strain-grading rate. We demonstrate a two-stage Ga x In 1-x P CGB from GaAs to InP with sufficiently low TDD for high performance devices, such as the 4-junction inverted metamorphic multi-junction solar cell, achieved through careful control the GPS position. Here, experimental results are analyzed within the context of a model that considers the force balance on dislocations on the two competing glide planes as a function of the degree of ordering.

14 SOLAR ENERGY↗
DOE OSTI2017

Switch loop flexibility affects substrate transport of the AcrB efflux pump

The functionally important switch-loop of the trimeric multidrug transporter AcrB separates the access and deep drug binding pockets in every protomer. This loop, comprising 11 amino acid residues, has been shown to be crucial for substrate transport, as drugs have to travel past the loop to reach the deep binding pocket and from there are transported outside the cell via the connected AcrA and TolC channels. It contains four symmetrically arranged glycine residues suggesting that flexibility is a key feature for pump activity. Upon combinatorial substitution of these glycine residues to proline, functional and structural asymmetry was observed. Proline substitutions on the PC1 proximal side completely abolished transport and reduced backbone flexibility of the switch loop, which adopted a conformation restricting the pathway towards the deep binding pocket. Here, two phenylalanine residues located adjacent to the substitution sensitive glycine residues play a role in blocking the pathway upon rigidification of the loop, since the removal of the phenyl rings from the rigid loop restores drug transport activity.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Switching current reduction in magnetoresistive random access memories

We present an approach for minimizing the critical current for the magnetization switching in magnetic tunnel junctions by optimizing the spatial distribution of the current density. We show that such a minimization is possible because critical current is determined by the condition of making one of the magnetization eigenstates grow in time. The excitation of the eigenstates is enhanced when the spatial distributions of the eigenstates and current density overlap. Critical current can be viewed as a functional of the current density spatial distribution and it can be minimized by optimizing this distribution. Such an optimization results in a major reduction of the critical current and increase of the switching efficiency, viz. the ratio between the energy barrier and critical current. The minimized critical current increases approximately linearly with the magnetic tunnel junction size, which is much slower than critical current for the case of a uniform current density. The optimized efficiency can be approximately a constant with respect to the magnetic tunnel junction size, which is much higher than the efficiency for the uniform current density. Additional optimization can be achieved by spatially modulating the material parameters, e.g., the saturation magnetization. The presented approach and obtained scaling of the critical current and efficiency offers opportunities for the magnetic tunnel junction optimization.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Microstructure tuning and magnetism switching of ferroelectric barium titanate

Single-crystal and polycrystal BaTiO{sub 3} (BTO) materials synthesized by the physical and chemical methods, respectively, have been studied based on microstructural characterizations and magnetic measurements. The results of X-ray diffraction and Raman scatting spectra show that a single crystal tetragonal to polycrystalline pseudo-cubic structure transformation occurs in BTO ferroelectrics, dependent of growth conditions and interface effects. High-resolution transmission electron microscope data indicate that the as-prepared BTO/SrTiO{sub 3} (001) and BTO/SrRuO{sub 3}/SrTiO{sub 3} (001) heterostructures are highly c-axis oriented with atomic sharp interfaces. Lattice defects (i.e., edge-type misfit dislocations and stacking faults) in the heterostructures could be identified clearly and showed tunable with the variations of interface strain. Furthermore, the effects of vacancy defects on magnetic properties of BTO are discussed, which shows a diamagnetism–ferromagnetism switching as intrinsic vacancies increase. This work opens up a possible avenue to prepare magnetic BTO ferroelectrics. - Highlights: • Structure of BTO is tunable, depending on growth conditions and interface strain. • STEM–EDX data indicate the presence of lattice defects in BTO ferroelectrics. • BTO magnetism could be controlled by defects showing dia-ferromagnetism switching. • BTO with more vacancies shows RTFM, as evidence of vacancy magnetism effects.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Luminescence switching in Ce{sup 3+} ion sensitized YPO{sub 4}:Tb{sup 3+} through Redox reaction

Highlights: • Simple polyol method for preparation of Ce{sup 3+} sensitized Tb{sup 3+} ion doped YPO{sub 4} nanophosphor. • Enhanced green color emission with incorporation of Ce{sup 3+} ion into the matrix of YPO{sub 4}:Tb{sup 3+} nanophosphor. • Highly crystalline tetragonal YPO{sub 4}:Tb{sup 3+} without any impurity phase. • Use of alternate oxidising and reducing agent for luminescence switching (ON and OFF). - Abstract: Ce{sup 3+} sensitized Tb{sup 3+} ion doped YPO{sub 4} nanophosphor is synthesized by simple polyol method using ethylene glycol as capping agent as well as reaction medium. Green emission from Tb{sup 3+} ion doped YPO{sub 4} nanophosphor has been enhanced with incorporation of Ce{sup 3+} ion into the matrix of YPO{sub 4}:Tb{sup 3+}. XRD of YPO{sub 4}:Tb{sup 3+} annealed at 900 °C reveals crystalline tetragonal structure without any impurity phase. Morphology of YPO{sub 4}:Tb{sup 3+} nanophosphor was also studied. Homogenous incorporation of rare earth, RE (RE = Tb{sup 3+}, Ce{sup 3+}) ion into the host matrix were given in EDAX spectra. TGA/DTA analysis shows phase transformation of the as-prepared sample. Also, it is found that the as-prepared sample were readily re-dispersible in water due to presence of −OH group. By using an alternate oxidising and reducing agent, behaviour of luminescence switching (ON and OFF) can be examined. Lifetime decay of Tb{sup 3+} ion doped YPO{sub 4} nanophosphor was also studied.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Trace level of atomic copper in N-doped graphene quantum dots switching the selectivity from C 1 to C 2 products in CO electroreduction

To unravel the relationship between trace Cu on the metal-free catalysts toward CO/CO 2 reduction reaction (CO/CO 2 RR), we investigated the effect of trace Cu loading in N-doped graphene quantum dots (NGQDs) on CO/CO 2 RR. A general trend is that increasing the Cu loading in NGQDs switches the selectivity from C 1 (CH 4 ) to C 2 products in CORR. When 2.5 μg/cm 2 Cu with the atomic size is loaded on NGQDs, the selectivity shifts from 62% Faradaic efficiency (FE) of CH 4 to 52% FE of C 2 products in CORR. Further increasing the atomic Cu loading to 3.8 μg/cm 2 promotes the FE of C 2 products to 78%. CO 2 RR requires one order of magnitude higher Cu loading than CORR to switch the selectivity from C 1 to C 2 products due to the low partial pressure of CO. Finally, this study clarifies the distinct impact of trace (ppm level) Cu on the activity/selectivity between CORR and CO 2 RR.

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

Reconfigurable structural color by reversible switching of colloidal discoid liquid crystal alignment

Combining the effects of alternating-current (AC) electric fields and sedimentation reconfigures colloidal discoids between planar and homeotropic orientational alignments, thereby controlling the material’s structural color. Here, we self-assemble micrometer-size polystyrene discoids in an isopropanol-water mixture. After sedimentation, the discoids adopt a homeotropic alignment, with the minor axis perpendicular to the substrate. Adding an AC electric field (1 kHz) of ≥0.50 V switches the discoids to planar alignment—with the minor axis parallel to the substrate—within ∼100 s. Removing the field switches them back to homeotropic alignment within ∼300 s. Kinetic modeling of the field-induced torques yields good agreement with these measurements. The peak wavelength and intensity of the crystal’s diffraction response shift significantly upon reconfiguration; scattering simulation predicts these shifts. The reconfiguration is maintained for at least 10 cycles. This method is a simple, scalable avenue to reconfigure the optical properties of colloidal crystals produced from simple dielectric spheroids.

colloidal crystals↗