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At least 649 records · Page 36

Beyond the eutectic paradigm: nanolamellar patterns in a rapidly solidified peritectic alloy

Peritectic transformations are central to many structural alloys, yet pattern formation remains poorly understood due to complex growth dynamics and limited three-dimensional data. Here, we report an unusual two-phase microstructure in a Zn–Ag peritectic alloy subjected to rapid solidification by laser surface remelting. Synchrotron X-ray nanotomography reveals a lamellar structure of primary 𝜀-AgZn 3 and peritectic Zn with ∼700 nm spacing. Although resembling a eutectic morphology, this pattern forms without a eutectic reaction through non-steady coupled growth from the liquid. SEM and TEM-EDS confirm interface shapes and phase compositions. These findings expand the design space of peritectics for refined microstructural control.

36 MATERIALS SCIENCE↗

Flexosensitive polarization vortices in thin ferroelectric films

In this work, we present a theoretical study on the influence of the flexoelectric coupling on the spatial distribution and temperature behavior of the spontaneous polarization for several types of stable domain structure in thin ferroelectric films, such as stripe domains and vortices. Finite-element modeling (FEM) for BaTiO 3 films and analytical calculations within the Landau-Ginzburg-Devonshire approach reveals that an out-of-plane polarization component can be very sensitive to the flexoelectric coupling for periodic quasi-2D stripe domains and 3D vortex-antivortex structures. However, the influence is rather different for these structures. The flexoelectric coupling increases significantly the amplitude of a small out-of-plane polarization component in the stripe domains, and the “up” or “down” direction of the component is defined by the sign of the flexoelectric coefficients. Concerning the vortex-antivortex pairs, their antivortices with in-plane antiсirculation have smooth wide dipolar cores through the entire film, whose shape and other features are almost insensitive to the coupling. The vortices with in-plane vorticity have spikelike cores with an out-of-plane quadrupolar moment induced by the flexoelectric coupling. The cores are located near the film–dead-layer interfaces. FEM results corroborated by analytical calculations prove that a change of the flexoelectric coefficient sign leads to a reorientation of the core axial polarization, making the flexosensitive 3D vortices similar to the recently introduced “flexons” in cylindrical nanoparticles. The relatively wide temperature range (from 200 to 400 K) of the flexosensitive vortices' existence gives us confidence that they can be observed experimentally in thin ferroelectric films by scanning-probe and nonlinear optical microscopy methods.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Fast-Charging Li 4 Ti 5 O 12 Anode Driven by Light

Lithium-ion batteries with fast charging capabilities are crucial for widespread adoption of electric vehicles, as they will increase acceptance of the technology and reduce range anxiety for drivers. To achieve this, advanced fast charging technologies and alternative methods to enhance the slow electrochemical processes are desperately required. This study applied light-emitting diode (LED) photo-assisted fast charging to Li 4 Ti 5 O 12 (LTO), a large bandgap cubic spinel material, to enhance charging speed through electronic-structure coupling. UV LED-generated light irradiation on to the electrode interface boosted the ion diffusion and lithium cation addition by a factor of 1.3 during electrochemical lithiation, resulting in a 30% decrease in charging time under ambient conditions. Red LED light was not effective in accelerating the reaction as it does not provide sufficient energy. The first-principles calculations support the concept that UV illumination generates charges by overcoming the material’s bandgap and effectively reducing it through the introduction of additional titanium defect states.

25 ENERGY STORAGE↗

Cooperative Research and Development Agreement between National Energy Technology Laboratory and University of Kentucky (Abstract)

The National Energy Technology Laboratory (NETL) and University of Kentucky (Participant) will collaborate in the development of “Deep Learning Potential-based Molecular Dynamics Simulation Investigation of Chemical Conversion-Absorption Coupling of CO 2 at Air-Reactive Deep Eutectic Solvent Interface.” This project is supported by DOE-Office of Science Graduate Student Research (SCGSR) program and managed by Oak Ridge Institute for Science and Education (ORISE). Deep eutectic solvents (DESs) are promising alternative sorbents for direct air capture (DAC) CO 2 due to their low vapor pressure, low corrosion, non-toxicity, relatively low cost, and biodegradable nature. Understanding the CO 2 reaction-transport mechanisms at the interface can help develop cost-effective DAC by DESs with high capacity and stability. The collaboration will investigate the absorption and chemical conversion of CO 2 at the air-DES interface to facilitate the development of novel DAC technology using reactive DESs. The anticipated results will make DAC more efficient, allow more sustainable use of our Nation’s fossil energy resources, and advance NETL’s ongoing CO 2 capture efforts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Study of ceramic products and processing techniques in space

An analysis of the solidification kinetics of beta alumina in a zero-gravity environment was carried out, using computer-simulation techniques, in order to assess the feasibility of producing high-quality single crystals of this material in space. The two coupled transport processes included were movement of the solid-liquid interface and diffusion of sodium atoms in the melt. Results of the simulation indicate that appreciable crystal-growth rates can be attained in space. Considerations were also made of the advantages offered by high-quality single crystals of beta alumina for use as a solid electrolyte; these clearly indicate that space-grown materials are superior in many respects to analogous terrestrially-grown crystals. Likewise, economic considerations, based on the rapidly expanding technological applications for beta alumina and related fast ionic conductors, reveal that the many superior qualities of space-grown material justify the added expense and experimental detail associated with space processing.

Markworth, A. J.↗

Description of a dual fail operational redundant strapdown inertial measurement unit for integrated avionics systems research

An experimental redundant strapdown inertial measurement unit (RSDIMU) is developed as a link to satisfy safety and reliability considerations in the integrated avionics concept. The unit includes four two degree-of-freedom tuned rotor gyros, and four accelerometers in a skewed and separable semioctahedral array. These sensors are coupled to four microprocessors which compensate sensor errors. These microprocessors are interfaced with two flight computers which process failure detection, isolation, redundancy management, and general flight control/navigation algorithms. Since the RSDIMU is a developmental unit, it is imperative that the flight computers provide special visibility and facility in algorithm modification.

Bryant, W. H.↗

Isotope Ratio Monitoring Gas Chromatography Mass Spectrometry (IRM-GCMS)

On Earth, the C-13 content of organic compounds is depleted by roughly 13 to 23 permil from atmospheric carbon dioxide. This difference is largely due to isotope effects associated with the fixation of inorganic carbon by photosynthetic organisms. If life once existed on Mars, then it is reasonable to expect to observe a similar fractionation. Although the strongly oxidizing conditions on the surface of Mars make preservation of ancient organic material unlikely, carbon-isotope evidence for the existence of life on Mars may still be preserved. Carbon depleted in C-13 could be preserved either in organic compounds within buried sediments, or in carbonate minerals produced by the oxidation of organic material. A technique is introduced for rapid and precise measurement of the C-13 contents of individual organic compounds. A gas chromatograph is coupled to an isotope-ratio mass spectrometer through a combustion interface, enabling on-line isotopic analysis of isolated compounds. The isotope ratios are determined by integration of ion currents over the course of each chromatographic peak. Software incorporates automatic peak determination, corrections for background, and deconvolution of overlapped peaks. Overall performance of the instrument was evaluated by the analysis of a mixture of high purity n-alkanes of know isotopic composition. Isotopic values measured via IRM-GCMS averaged withing 0.55 permil of their conventionally measured values.

Freeman, K. H.↗

The Transient Dendritic Solidification Experiment (TDSE)

Dendritic solidification is a common mode of solidification. It is also an important model problem in nonequilibrium physics and pattern formation physics. Current theories couple the transfer of latent heat with selection mechanisms at the interface. Measurements of succinonitrile (SCN) dendrites in microgravity show reasonable agreement between heat transfer predictions and experiment. However, data and analysis for assessing interfacial physics theories are less definitive. We are studying, and will present data on, transient effects in dendritic growth of SCN. We employ the Clapeyron pressure/melting temperature effect to make a rapid change in a sample's hydrostatic pressure, and thereby rapidly change the specimen's melting temperature, forcing the dendrite to select a new steady-state. These initial measurements show some surprising and non-intuitive effects.

Koss, M. B.↗

Data and Modeling of Dendrites Subject to A Step Change in Pressure (TDSE)

There is considerable interest in dendritic solidification because of the influence dendrites have in the determination of microstructure, and thereby in the physical properties of cast metals and alloys. Current theories and models of dendritic growth generally couple diffusion effects in the melt with the physics of the interface. Data and subsequent analysis prior of the tip growth speed and radii of thermal succinonitrile dendrites in the near-convection free, on-orbit, free-fall environment demonstrate that these theories yield predictions that are reasonably in agreement with the results of experiment. However, data and analysis for assessing the interfacial physics component of theory are not sufficiently detailed or definitive. To study fundamental aspects of dendritic interface stability, we are measuring and modeling the kinetics and morphology of dendrites as they evolve from one well-defined steady state at a pre-set supercooling, through a transient stage, to a different well-defined steady state. More specifically, we subject succinonitrile dendrites, growing under steady-state conditions, to a rapid change in pressure. This leads to a rapid change in thermal driving force from the corresponding change in both the equilibrium melting temperature due to the Clapeyron effect, and a change in the far-field temperature due to adiabatic temperature changes in the bulk liquid and solid. Subsequently, we observe transformations from a well-characterized initial state into a new steady-state. Initial data reveal that the dendrite tip velocity changes almost as fast as the pressure charges, while the tip radius changes occur more slowly, taking from 10 60 seconds depending on the size of the step change and the final supercooling. Computer modeling of this process shows both agreements and disagreements with the experimental data. In making these observations and measurements, we are gaining new understandings of interfacial dynamics and state-selection physics.

Koss, Matthew B.↗

Restraint of Liquid Jets by Surface Tension in Microgravity Modeled

Tension in Microgravity Modeled Microgravity poses many challenges to the designer of spacecraft tanks. Chief among these are the lack of phase separation and the need to supply vapor-free liquid or liquidfree vapor to the spacecraft processes that require fluid. One of the principal problems of phase separation is the creation of liquid jets. A jet can be created by liquid filling, settling of the fluid to one end of the tank, or even closing a valve to stop the liquid flow. Anyone who has seen a fountain knows that jets occur in normal gravity also. However, in normal gravity, the gravity controls and restricts the jet flow. In microgravity, with gravity largely absent, jets must be contained by surface tension forces. Recent NASA experiments in microgravity (Tank Pressure Control Experiment, TPCE, and Vented Tank Pressure Experiment, VTRE) resulted in a wealth of data about jet behavior in microgravity. VTRE was surprising in that, although it contained a complex geometry of baffles and vanes, the limit on liquid inflow was the emergence of a liquid jet from the top of the vane structure. Clearly understanding the restraint of liquid jets by surface tension is key to managing fluids in low gravity. To model this phenomenon, we need a numerical method that can track the fluid motion and the surface tension forces. The fluid motion is modeled with the Navier-Stokes equation formulated for low-speed incompressible flows. The quantities of velocity and pressure are placed on a staggered grid, with velocity being tracked at cell faces and pressure at cell centers. The free surface is tracked via the introduction of a color function that tracks liquid as 1/2 and gas as -1/2. A phase model developed by Jacqmin is used. This model converts the discrete surface tension force into a barrier function that peaks at the free surface and decays rapidly. Previous attempts at this formulation have been criticized for smearing the interface. However, by sharpening the phase function, double gridding the fluid function, and using a higher order solution for the fluid function, interface smearing is avoided. These equations can be rewritten as two coupled Poisson equations that also include the velocity. The method of solution is as follows: first, the phase equations are solved from this solution, a velocity field is generated, then a successive overrelaxation scheme is used to solve for a pressure field consistent with the velocity solution. After the code was implemented in axisymmetric form and verified by several test cases, the drop tower runs of Aydelott were modeled. The model handed the free-surface deformation quite nicely, even to the point of modeling geyser growth in the regime where the free surface was no longer restrained. A representative run is shown.

Chato, David J.↗

Power Electronics as an Enabler of the Current and Future Grid: Control Instead of Copper

Power electronics are becoming more pervasive in the power system. Solar, wind and battery energy storage systems regularly connect to the grid using power electronic interfaces. Loads are also increasingly power electronic-based. These changes, coupled with the change in the power system's operating characteristics as more and more renewable energy is integrated into the power system, offer a challenge to power electronic and power system engineers alike - how do we design and operate the power system moving forward?

direct connect↗

On the coupling of hyperbolic and parabolic systems: Analytical and numerical approach

The coupling of hyperbolic and parabolic systems is discussed in a domain Omega divided into two distinct subdomains omega(+) and omega(-). The main concern is to find the proper interface conditions to be fulfilled at the surface separating the two domains. Next, they are used in the numerical approximation of the problem. The justification of the interface conditions is based on a singular perturbation analysis, i.e., the hyperbolic system is rendered parabolic by adding a small artifical viscosity. As this goes to zero, the coupled parabolic-parabolic problem degenerates into the original one, yielding some conditions at the interface. These are taken as interface conditions for the hyperbolic-parabolic problem. Actually, two alternative sets of interface conditions are discussed according to whether the regularization procedure is variational or nonvariational. It is shown how these conditions can be used in the frame of a numerical approximation to the given problem. Furthermore, a method of resolution is discussed which alternates the resolution of the hyperbolic problem within omega(-) and of the parabolic one within omega(+). The spectral collocation method is proposed, as an example of space discretization (different methods could be used as well); both explicit and implicit time-advancing schemes are considered. The present study is a preliminary step toward the analysis of the coupling between Euler and Navier-Stokes equations for compressible flows.

Gastaldi, Fabio↗

Pt Nanoparticle Disintegration at Oxide Interfaces Enhances CO Oxidation Catalysis

Understanding how supported metal nanoparticles dynamically evolve under reaction conditions is critical for controlling their catalytic function. Here, the mechanism behind the dynamic disintegration of Pt nanoparticles (NPs) supported on CeOx-TiO2 (CT) during CO oxidation is elucidated, leading to the formation of single atoms (SAs) and/or sub-nanometer clusters. Density functional theory (DFT) calculations reveal that strong Pt-CO interactions weaken Pt─Pt cohesion, while electronic coupling between Pt and Ce ions stabilizes Pt-CO* intermediates at the oxide interface. Surface oxygen vacancies kinetically trap Pt-CO*, but the vacancies are replenished under oxygen-rich conditions, enabling Pt-CO* surface diffusion and subsequent structural reorganization. In situ spectroscopic analyses confirm the oxygen-driven transformation of Pt NPs, correlating with a threefold increase in mass-specific activity at 150 °C. These findings demonstrate that interfacial oxygen dynamics and metal-support interactions can be leveraged to induce nanoparticle disintegration and optimize catalytic performance, highlighting the catalytic potential of interface-engineered Pt nanostructures.

CO oxidation↗

Assessment of diffuse-interface methods for compressible multiphase fluid flows and elastic-plastic deformation in solids

This work describes three diffuse-interface methods for the simulation of immiscible, compressible multiphase fluid flows and elastic-plastic deformation in solids. The first method is the localized-artificial-diffusivity approach of Cook, Subramaniam et al., and Adler and Lele, in which artificial diffusion terms are added to the individual phase mass fraction transport equations and are coupled with the other conservation equations. The second method is the gradient-form approach that is based on the quasi-conservative method of Shukla et al., in which the diffusion and sharpening terms (together called regularization terms) are added to the individual phase volume fraction transport equations and are coupled with the other conservation equations. The third approach is the divergence-form approach that is based on the fully conservative method of Jain et al., in which the regularization terms are added to the individual phase volume fraction transport equations and are coupled with the other conservation equations. In the present study, all three diffuse-interface methods are used in conjunction with a four-equation, multicomponent mixture model, in which pressure and temperature equilibria are assumed among the various phases. The primary objective of this work is to compare these three methods in terms of their ability to: maintain constant interface thickness throughout the simulation; conserve mass, momentum, and energy; and maintain accurate interface shape for long-time integration. The second objective of this work is to consistently extend these methods to model interfaces between solid materials with strength. To assess and compare the methods, they are used to simulate a wide variety of problems, including (1) advection of an air bubble in water, (2) shock interaction with a helium bubble in air, (3) shock interaction and the collapse of an air bubble in water, and (4) Richtmyer–Meshkov instability of a copper–aluminum interface. The current work focuses on comparing these methods in the limit of relatively coarse grid resolution, which illustrates the true performance of these methods. In conclusion, this is because it is rarely practical to use hundreds of grid points to resolve a single bubble or drop in large-scale simulations of engineering interest.

97 MATHEMATICS AND COMPUTING↗

The surface triple-coupling on single crystalline cathode for lithium ion batteries

Single crystalline (SC) cathode materials, which are less susceptible to micro/nano-cracks formation and offer better structure stability compared to the polycrystalline counterpart, have attained great attention. However, the parasitic side reactions at the cathode-electrolyte interface induces the loss of active species, which consequently leads to continual degradation of the electrochemical performances. Herein, a triple coupling of concentration-gradient Na+, F- co-doping and surface NaF coating are exploited for the first time on SC LiNi 0.5C o 0.2 Mn 0.3 O 2 cathode by the hydrolysis of NaPF 6 . This process regulates the external structure of materials by constructing a “sandwich” configuration from surface to bulk: rock salt - mixing zone - layered phase. The detailed interface transformation mechanism is revealed by Neutron powder diffraction (NPD), spherical aberration corrected high-resolution scanning transmission electron microscopy (HR-STEM), electron energy loss spectroscopy (EELS), and Ar+ sputtering assisted X-ray photoelectron spectroscopy (XPS). The synergistic effects endow the SC cathode with outstanding capacity retentions: 91.3% at 25 °C and 85% at 45 °C, after 500 cycles at 5 C between 3.0 and 4.5 V. In addition, a high full-cell reversible capacity of 168.9 mAh g -1 with a capacity retention of 92.4% is achieved after 300 cycles at 1 C. Multiple characterizations further indicate that these superior results are mainly ascribed to the overall structure integrity of SC material, the thin cathode electrolyte interface, high content of lithium fluoride, and the low solubility of transition metal ions. This work opens a new avenue to construct a benign interface towards high-performance lithium ion batteries.

lithium ion batteries↗

Optical leakage mitigation in ortho-mode transducer detectors for microwave applications

Ortho-mode transducers (OMT) are a commonly used method of coupling opti-cal signals between waveguides and on-chip circuitry and detectors. While the ideal OMT-waveguide coupling requires minimal disturbance to the waveguide, when used for mm-wave applications the waveguide is often slide though and the OMT probes inserted on a thin support membrane. This interface is a potential source of signal leakage and can lead to signal loss and experimental systematics (e.g. in CMB polarization experiments where lost signal can result in temperature to polarization leakage). Here we report on the development of new OMT- waveguide coupling structures with the goal of reducing leakage at the horn-to-detector-wafer interface. The pixel to pixel optical leakage due to the gap be-tween the coupling waveguide and the backshort is reduced by means of a protrusion that passes through the OMT membrane and connects the waveguide sections on each side of the wafer. High frequency electromagnetic simulations indicate that these protrusions can reduce optical leakage in the gap by ~80% percent, with a ~60% filling factor, respect to an ordinary OMT coupling without protrusion, using designs that are compatible with current fabrication processes. We describe the design of the new coupling structure including the impact of varying two key parameters: wafer to optical coupling gap and protrusion fill factor. Prototype devices have been designed that will characterize the performance of the new design using a relative measurement with varying filling factors. We describe the simulation setup and results, and present a chip layout and sample box designed to perform an initial measurement.

Detectors↗

X-ray photoelectron spectroscopy study of catalyzed aluminum carbide formation at aluminum-carbon interfaces

Aluminum carbide may form at aluminum-graphite interfaces during the high-temperature processing of graphite fiber-reinforced aluminum metal matrix composites. The chemical interactions leading to the formation of the aluminum carbide in the solid state involve the breaking of the carbon-carbon bonds within the graphite, the transport of the carbon atoms across the interface, and the reaction with the aluminum to form Al4C3. The aluminum carbide formation process has been followed using X-ray photoelectron spectroscopy of model, thin-film, reaction couples. The overall reaction is shown to be catalyzed by the presence of water vapor. Water at the interface increases reaction kinetics by apparently weakening the bonds between the surface carbon atoms and their substrate. This result is in general agreement with what is known to occur during the oxidation of graphite in air.

Rabenberg, L.↗

Development and Validation of a High-Vacuum Thermal Conductivity Testbed for Aerospace Interface Materials

Thermal Interface Materials (TIMs) are critical components in spacecraft thermal management systems, where thermal performance is strongly influenced by vacuum conditions, interface contact resistance, and layered metallic joint behavior. However, manufacturer-reported thermal conductivity values are often derived under idealized conditions and may not accurately represent performance within operational aerospace applications. To address this limitation, the Testbed for Advanced Interface Materials in Vacuum (TAIMV) was developed as a modular vacuum-compatible thermal conductivity characterization platform capable of evaluating aerospace-relevant TIM configurations under both ambient and high-vacuum environments. The testbed was derived from the ASTM C1044-16 guarded hot plate methodology and incorporates interchangeable layers of stainless steel coupon geometries, independently controlled main and guard heaters, embedded resistance temperature detectors (RTDs), thermocouples, multi-layer insulation (MLI), and a temperature-controlled cold plate to characterize through-thickness thermal gradients across layered interfaces. In the current configuration, interface compression is limited to the nominal contact pressure generated by the experimental stack assembly. Initial experimental campaigns were conducted at ambient pressure and below 1×10-5 torr for vacuum cases using multiple interface materials including Braycote 601EF and Krytox-based greases across a range of thermal operating conditions. In parallel, a coupled numerical Python thermal model was developed to predict temperature distribution throughout the stack while accounting for conduction, radiation, and parasitic heat transfer pathways and effective interface resistance effects. Experimental measurements and numerical predictions showed consistent thermal trends across multiple operating conditions and environmental states. Results also revealed measurable differences between ambient and vacuum thermal behavior, demonstrating the importance of interface resistance, parasitic heat transfer mechanisms, and stack geometry in determining effective thermal performance within layered thermal interfaces. The presented work establishes a foundation for future thermal model correlation efforts and expanded characterization of aerospace thermal interface materials under representative environmental conditions. Future work will focus on the integration of a load cell system to enable controlled pressure-dependent characterization of thermal interface materials under compressive loading. This capability will allow investigation of the influence of contact pressure on effective thermal conductivity, interface resistance, and thermal performance within layered aerospace thermal interfaces under representative operational conditions.

Thermal Development Testing↗