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At least 1,099 records · Page 61

Structural, Electronic, Optical, and Magnetic Properties of Fe{sub 3}Al Alloys

We have investigated the structural, optical, and magnetic properties of D0{sub 3} Fe{sub 3}Al alloys along with the electronic structure calculations. X-ray diffraction patterns confirm the single-phase cubic structure with a symmetry for the arc-melted samples. In the field dependence of magnetic data, ferromagnetic behavior is witnessed down to 2 K from room temperature. The electronic structure calculation corroborates the experimental observation of ferromagnetism in this alloy. Further, optical conductivity data in excellent agreement with the electronic structure calculations confirmed that electronic transitions are predominant by the 3d states of Fe.

36 MATERIALS SCIENCE↗

New bipolar host materials for high power efficiency green thermally activated delayed fluorescence $\mathrm{OLEDs}$

We report four bipolar molecules, namely m-CzPym, p-CzPym, m-CzTrz, and p-CzTrz, with carbazole (Cz) donor and a benzonitrile-substituted pyrimidine (Pym) or triazine (Trz) acceptor core were synthesized and characterized. The electron deficiency of heteroaryl cores together with the substitution pattern of benzonitrile were employed to tune the energy levels as well as the thermally activated delayed fluorescence (TADF) characteristics. The four molecules exhibited TADF behavior with inferior photoluminescent quantum yields (PLQYs) that limit their applications as emitters. These bipolar molecules were employed as TADF host materials for the benchmark TADF emitter 4CzIPN to achieve high-performing green TADF organic light-emitting diodes (OLEDs). Among the molecules, m-CzPym-hosted TADF-OLEDs achieved a maximum external quantum efficiency (EQE max ) of 31.5%, maximum power efficiency (PE max ) of 95.6 lm/W, and maximum current efficiency (CE max ) of 100.2 cd/A. Notably, p-CzPym-hosted TADF-OLEDs also achieved a PE max of 116.5 lm/W, turn-on voltage of 2.5 V, and impressive low efficiency roll-off performance (>89% of EQE max at 5000 cd/m 2 ), representing one of the highest efficiencies ever reported in 4CzIPN-doped devices. The high device efficiency can be ascribed to the balanced ambipolar carrier-transporting character of the host materials and high PLQY as well as the outstanding light outcoupling efficiency of the emitting layer.

42 ENGINEERING↗

Comparative Analysis of Model Predictive Control and MPC-Informed Rule-Based Control for Thermal Storage Operation in Ultra-Low Temperature 4th Generation District Heating Networks

The integration of thermal storage and heat pumps in district heating networks (DHNs) can significantly enhance operational flexibility and energy efficiency; however, the practical deployment of advanced control strategies is often hindered by forecasting requirements and computational complexity. This study presents a comparative analysis of thermal storage control strategies in an ultra-low-temperature fourth-generation DHN, focusing on the development of a simplified rule-based control (RBC) explicitly informed by Model Predictive Control (MPC) behavior. The proposed methodology systematically analyzes the charging and discharging decisions of an MPC-controlled system under ideal forecasting conditions and extracts recurrent control patterns as a function of key system variables, including outdoor temperature, thermal demand, and electricity price. These patterns are translated into a set of structured time- and condition-based rules, resulting in an MPC-informed RBC that embeds predictive insights while preserving implementation simplicity and operational transparency. The approach is validated on a realistic mixed-use urban district in Denver, Colorado, USA, equipped with a centralized air-source heat pump, distributed water-to-water heat pumps, and a central thermal storage unit. Results show that the tuned RBC attains approximately 96% of ideal MPC economic performance (-27% of costs), preserves values of technical and environmental indicators (reduction only of 2-3%), and substantially reduces complexity. Sensitivity analyses further demonstrate the robustness of the RBC under varying operational conditions (i.e., ambient temperature, electricity price). Overall, the study demonstrates that MPC-informed rule-based control represents an effective trade-off between control performance and real-world applicability, enabling the integration of additional system components while maintaining simplicity, robustness, and ease of implementation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Templated Self-Assembly of a PS- Branch -PDMS Bottlebrush Copolymer

The self-assembly of block copolymers with novel architectures offers tremendous opportunities in nanoscale patterning and fabrication. Here, the thin film morphology, annealing kinetics, and topographical templating of an unconventional Janus-type “PS-branch-PDMS” bottlebrush copolymer (BBCP) is described. In the Janus-type BBCP, each segment of the backbone connects two immiscible sidechain blocks, instead of having each type of sidechain at one end of the molecule as in a conventional BBCP. Thin films of a Janus-type BBCP with M n = 609 kg/mol exhibited 22 nm period cylindrical microdomains with long-range order under solvent vapor annealing, and the effects of as-cast film thickness, solvent vapor pressure, and composition of the binary mixture of solvent vapors are described. The dynamic self-assembly process was characterized using in-situ grazing-incidence x-ray scattering. Templated selfassembly of the BBCP within lithographically patterned substrates was demonstrated, showing distinct pattern orientation and dimensions that differ from conventional BCPs. Self-consistent field theory is used to elucidate details of the templated self-assembly behavior within confinement.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Magnetic behaviour studies on nanocrystalline cobalt ferrite by employing the Arrott plot

Vibrating Sample Magnetometer (VSM) has been used to analyze the magnetic behavior of ferrimagnetic material (CoFe{sub 2}O{sub 4}) synthesized by the citric acid modified sol-gel method. X-ray diffraction (XRD) pattern confirms the phase purity of the sample. Its magnetic measurement has been carried out at room temperature in the field range ±1.5T. The magnetocrystalline anisotropy and saturation magnetization of CoFe{sub 2}O{sub 4} are two important parameters which need to be studied for exploring its technological applications like memory device, magnetic sensors etc. Law of Approach (LA) to saturation and the Arrott plot analysis have been carried out to obtain the saturation magnetization. The difference in the saturation magnetization obtained from the two methods gives the qualitative understanding of magnetocrystalline anisotropy and lattice strain present in the sample. The present study explores a new way of analyzing magnetic hysteresis loop of nanocrystalline cobalt ferrite.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Collective neural network behavior in a dynamically driven disordered system of superconducting loops

Collective properties of complex systems composed of many interacting components such as neurons in our brain can be modeled by artificial networks based on disordered systems. We show that a disordered neural network of superconducting loops with Josephson junctions can exhibit computational properties like categorization and associative memory in the time evolution of its state in response to information from external excitations. Superconducting loops can trap multiples of fluxons in many discrete memory configurations defined by the local free energy minima in the configuration space of all possible states. A memory state can be updated by exciting the Josephson junctions to fire or allow the movement of fluxons through the network as the current through them surpasses their critical current thresholds. Simulations performed with a lumped element circuit model of a 4-loop network show that information written through excitations is translated into stable states of trapped flux and their time evolution. Experimental implementation on a high-Tc superconductor YBCO-based 4-loop network shows dynamically stable flux flow in each pathway characterized by the correlations between junction firing statistics. Neural network behavior is observed as energy barriers separating state categories in simulations in response to multiple excitations, and experimentally as junction responses characterizing different flux flow patterns in the network. The state categories that produce these patterns have different temporal stabilities relative to each other and the excitations. This provides strong evidence for time-dependent (short-to-long-term) memories, that are dependent on the geometrical and junction parameters of the loops, as described with a network model.

Josephson junctions↗

Quasiparticle interference and resonant states in normal and superconducting line nodal semimetals

We study impurity scattering in the normal and $d$-wave superconducting states of line nodal semimetals and show that, due to additional scattering phase space available for impurities on the surface, the quasiparticle interference pattern acquires an extended character instead of a discrete collection of delta function peaks. Moreover, using the $T$-matrix formalism, we demonstrate that the conventional behavior of a scalar impurity in a $d$-wave superconductor breaks down on the surface of a line nodal semimetal in the quasi-flat-band limit.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Threshold Switching Characteristics of Nb/NbO 2 /TiN Vertical Devices

Nb/NbO2/TiN vertical structures were synthesized in-situ and patterned to devices with different contact areas. The devices exhibited threshold resistive switching with minimal hysteresis and a small EThreshold (60~90 kV/cm). The switching behavior was unipolar, and demonstrated good repeatability. A less sharp but still sizable change in the device resistance was observed up to 150 °C. It was found that the resistive switching without Nb capping layer exhibited the hysteretic behavior and much larger EThreshold (~250 kV/cm) likely due to a 2-3 nm surface Nb2O5 layer. The stable threshold switching behavior well above room temperature shows the potential applications of this device as an electronic switch.

Environmental Molecular Sciences Laboratory↗

Formation of VO{sub 2} by rapid thermal annealing and cooling of sputtered vanadium thin films

Sputtered vanadium-rich films were subjected to rapid thermal annealing-cooling (RTAC) in air to produce vanadium dioxide (VO{sub 2}) thin films with thermochromic switching behavior. High heating and cooling rates in the thermal oxidation process provided an increased ability to control the film's microstructure. X-ray diffraction patterns of the films revealed less intense VO{sub 2} peaks compared to traditional polycrystalline samples fabricated with a standard (slower) cooling time. Such films also exhibit a high optical switching reflectance contrast, unlike the traditional polycrystalline VO{sub 2} thin films, which show a more pronounced transmittance switching. The authors find that the RTAC process stabilizes the VO{sub 2} (M2) metastable phase, enabling a rutile-semiconductor phase transition (R-M2), followed by a semiconductor–semiconductor phase transition (M2-M1).

36 MATERIALS SCIENCE↗

The influence of the concentration of Sr ions on the crystal and magnetic structures of Ba{sub 2} –{sub x}Sr{sub x}FeMoO{sub 6} double perovskites (x = 0–1.6)

The crystal and magnetic structures of a solid solution of double perovskite Ba{sub 2–} {sub x}Sr{sub x}FeMoO{sub 6} (x = 0–1.6) have been investigated by neutron diffraction. The high-resolution diffraction patterns have provided precise information about the changes in the crystal and magnetic structures with an increase in the strontium content and data on the behavior of the sample microstructure. Replacement of barium with strontium leads to a change in the lattice symmetry from cubic (x = 0, sp. gr. Fm3̄m)) to tetragonal (x = 0.4, sp. gr. I4/m). At x = 1.0, the symmetry is either tetragonal (sp. gr. I4/m) or orthorhombic (sp. gr. Fmmm), and at x = 1.6 the symmetry becomes again tetragonal (sp. gr. I4/m). The values of the Curie temperature and microstrain increase with an increase in the strontium content.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Effect of Transverse Electric Field on Polariton Reflectance Spectra of Wide Quantum Wells

Excitonic waves propagating in thick GaAs/AlGaAs quantum wells form an interference pattern, which is observed as oscillations in the reflectance spectra. Oscillations in the spectra of wide GaAs quantum wells should reveal a non-trivial behavior as a function of the external uniform electric field as it is found in the theory developed in the present work. The oscillations are suppressed as the electric field increases and then reappear again with an opposite phase at the further rise of the field.

36 MATERIALS SCIENCE↗

Data-Driven Clustering and Classification of Outage Patterns with Insights into their Links to Extreme Events

At a global level extreme events have increased in both scale and impact. These events have the potential to affect the electrical grid infrastructure and cause a wide range of outages, which can lead to a disruption in daily patterns, cost millions of dollars and also the loss of life. Currently, to track these outage events there have been various approaches developed ranging from regional to national level quantifications for what defines an outage. However, this variation in methods can potentially lead to subjective decision-making and a lack of proper management in relation to the event. While previous work has made strides in determining spatio-temporal patterns, minimal attention has been given to the type and number of outages an area may be exposed to. The differences in incurred cost and the overall severity of an event between a transformer box malfunction and a hurricane are drastic, and by finding historical signals, we can allow for more efficient management, potentially saving lives and millions of dollars. Here, we leverage unsupervised machine learning techniques to delineate outage patterns among 22 counties within the United States and find that there are clear, segregated clusters (0.93 silhouette) of data which are related by event behavior and underlying cause. This finding will allow for energy stakeholders, policy makers, and researchers to gain a deeper understanding of the extent and severity of historic events and to better prepare for electrical grid infrastructure planning and management.

Koob, Benjamin [ORNL]↗

SYSTEMATIC REGULARITY OF HEMISPHERIC SUNSPOT AREAS OVER THE PAST 140 YEARS

Solar magnetic activity varies with time in the two hemispheres in different ways. The hemispheric interconnection of solar activity phenomena provides an important clue to understanding the dynamical behavior of solar dynamo actions. In this paper, several analysis approaches are proposed to analyze the systematic regularity of hemispheric asynchronism and amplitude asymmetry of long-term sunspot areas during solar cycles 9–24. It is found that, (1) both the hemispheric asynchronism and the amplitude asymmetry of sunspot areas are prevalent behaviors and are not anomalous, but the hemispheric asynchronism exhibits a much more regular behavior than the amplitude asymmetry; (2) the phase-leading hemisphere returns back to the identical hemisphere every 8 solar cycles, and the secular periodic pattern of hemispheric phase differences follows 3 (south leading) + 5 (north leading) solar cycles, which probably corresponds to the Gleissberg cycle; and (3) the pronounced periodicities of (absolute and normalized) asymmetry indices and lines of synchronization (LOSs) are not identical: the significant periodic oscillations are 80.65 ± 6.31, 20.91 ± 0.40, and 13.45 ± 0.16 years for the LOS values, and 51.34 ± 2.48, 8.83/8.69 ± 0.07, and 3.77 ± 0.02 years for the (absolute and normalized) asymmetry indices. The analysis results improve our knowledge on the hemispheric interrelation of solar magnetic activity and may provide valuable constraints for solar dynamo models.

79 ASTRONOMY AND ASTROPHYSICS↗

Large Deployable Antenna Shuttle Experiment

An experiment designed to use the Space Shuttle in tests of the mechanical and electrical properties of spaceborne deployable antennas under zero-gravity conditions is outlined. Space-erectable 20-meter diameter phased arrays or reflector/feed systems, and self-deploying mechanisms, are to be tested. Reflector surface integrity will be tested by an AM laser technique, and electrical behavior will be tested by a spin-stabilized RF beacon injected into orbit prior to unfurlment of the antenna. Focusing and gain measurements, static pattern measurements, dynamic RF gain measurements, and measurements of cross-polarized signals will be conducted, and the reflector will be illuminated by separate feeds for the S-, X-, and K-bands. Mechanical features of the mesh-wrapped rib furlable antenna design are described.

Freeland, R. E.↗

Pattern selection in solidification

Directional solidification of alloys produces a wide variety of cellular or lamellar structures which, depending upon growth conditions, may be reproducibly regular or may behave chaotically. It is not well understood how these patterns are selected and controlled or even whether there ever exist sharp selection mechanisms. A related phenomenon is the spatial propagation of a pattern into a system which has been caused to become unstable against pattern-forming deformations. This phenomenon has some features in common with the propagation of sidebranching modes in dendritic solidification. In a class of one-dimensional models, the nonlinear system can be shown to select the propagating mode in which the leading edge of the pattern is just marginally stable. This stability principle, when applicable, predicts both the speed of propagation and the geometrical characteristics of the pattern which forms behind the moving front. A boundary-layer model for fully two or three dimensional solidification problems appears to exhibit similar mathematical behavior.

Langer, J. S.↗

Aerodynamics of sports balls

Research data on the aerodynamic behavior of baseballs and cricket and golf balls are summarized. Cricket balls and baseballs are roughly the same size and mass but have different stitch patterns. Both are thrown to follow paths that avoid a batter's swing, paths that can curve if aerodynamic forces on the balls' surfaces are asymmetric. Smoke tracer wind tunnel tests and pressure taps have revealed that the unbalanced side forces are induced by tripping the boundary layer on the seam side and producing turbulence. More particularly, the greater pressures are perpendicular to the seam plane and only appear when the balls travel at velocities high enough so that the roughness length matches the seam heigh. The side forces, once tripped, will increase with spin velocity up to a cut-off point. The enhanced lift coefficient is produced by the Magnus effect. The more complex stitching on a baseball permits greater variations in the flight path curve and, in the case of a knuckleball, the unsteady flow effects. For golf balls, the dimples trip the boundary layer and the high spin rate produces a lift coefficient maximum of 0.5, compared to a baseball's maximum of 0.3. Thus, a golf ball travels far enough for gravitational forces to become important.

Mehta, R. D.↗

Material growth and characterization for solid state devices

During the period of this research grant, the process of liquid phase electroepitaxy (LPEE) was used to grow ternary and quaternary alloy III-V semiconductor thin films. Selective area growth of InGaAs was performed on InP substrates using a patterned sputtered quartz or spin-on glass layer. The etch back and growth characteristics with respect to substrate orientation were investigated. The etch back behavior is somewhat different from wet chemical etching with respect to the sidewall profiles which are observed. LPEE was also employed to grow epitaxial layers of InGaAsP alloys on InP substrates. The behavior of Mn as an acceptor dopant was investigated with low temperature Hall coefficient and photoluminescence measurements. A metal-organic vapor phase epitaxy system was partially complete within the grant period. This atmospheric pressure system will be used to deposit III-V compound and alloy semiconductor layers in future research efforts.

Collis, Ward J.↗

Ignition transient analysis of solid rocket motor

Measurement data on the performance of Space Shuttle Solid Rocket Motor show wide variations in the head-end pressure changes and the total thrust build-up during the ignition transient periods. To analyze the flow and thermal behavior in the tested solid rocket motors, a 1-dimensional, ideal gas flow model via the SIMPLE algorithm was developed. Numerical results showed that burning patterns in the star-shaped head-end segment of the propellant and the erosive burning rate are two important factors controlling the ignition transients. The objective of this study is to extend the model to include the effects of aluminum particle commonly used in solid propellants. To treat the effects of aluminum-oxide particles in the combustion gas, conservation of mass, momentum, and energy equations for the particles are added in the numerical formulation and integrated by an inter-phase-slip algorithm.

Han, Samuel S.↗