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At least 235 records · Page 13

Dynamic Phase Alignment in Inertial Alfvén Turbulence

In weakly collisional plasma environments with sufficiently low electron beta, Alfvénic turbulence transforms into inertial Alfvénic turbulence at scales below the electron skin depth, k ⊥ d e ≳ 1. We argue that, in inertial Alfvénic turbulence, both energy and generalized kinetic helicity exhibit direct cascades. We demonstrate that the two cascades are compatible due to the existence of a strong scale dependence of the phase alignment angle between velocity and magnetic field fluctuations, with the phase alignment angle scaling as cos α k ∝ $k$$^{–1}_{⊥}$. The kinetic and magnetic energy spectra scale as ∝ $k$$^{–5/3}_{⊥}$ and ∝ $k$$^{–11/3}_{⊥}$, respectively. As a result of the dual direct cascade, the generalized helicity spectrum scales as ∝ $k$$^{–5/3}_{⊥}$, implying progressive balancing of the turbulence as the cascade proceeds to smaller scales in the k ⊥ d e >> 1 range. Turbulent eddies exhibit a phase-space anisotropy k ∥ ∝ $k$$^{5/3}_{⊥}$, consistent with critically balanced inertial Alfvén fluctuations. Furthermore, our results may be applicable to a variety of geophysical, space, and astrophysical environments, including the Earth’s magnetosheath and ionosphere, solar corona, and nonrelativistic pair plasmas, as well as to strongly rotating nonionized fluids.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Dynamic Phase Alignment in Inertial Alfven Turbulence

In weakly-collisional plasma environments with sufficiently low electron beta, Alfvenic turbulence transforms into inertial Alfvenic turbulence at scales below the electron skin-depth. We argue that, in inertial Alfvenic turbulence, both energy and generalized kinetic helicity exhibit direct cascades. We demonstrate that the two cascades are compatible due to the existence of a strong scale-dependence of the phase alignment angle between velocity and magnetic field fluctuations, with the phase alignment angle scaling as proportional to the perpendicular wavenumber to the power of -1. The kinetic and magnetic energy spectra scale as the perpendicular wavenumber to the power of -5/3 and -11/3, respectively. As a result of the dual direct cascade, the generalized-helicity spectrum scales as the perpendicular wavenumber to the power of -5/3, implying progressive balancing of the turbulence as the cascade proceeds to smaller scales in the sub-electron-skin-depth range. Turbulent eddies exhibit a phase-space anisotropy, with the parallel wavenumber scaling as the perpendicular wavenumber to the power of 5/3, consistent with critically-balanced inertial Alfven fluctuations. Our results may be applicable to a variety of geophysical, space, and astrophysical environments, including the Earth's magnetosheath and ionosphere, solar corona, non-relativistic pair plasmas, as well as to strongly rotating non-ionized fluids.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

High-energy synchrotron X-ray diffraction measurements of simple bending of pseudoelastic NiTi shape memory alloy wires

Many technological applications of austenitic shape memory alloys (SMAs) involve cyclical mechanical loading and unloading in order to take advantage of pseudoelasticity. In this paper, we investigated the effect of mechanical bending of pseudoelastic NiTi SMA wires using high-energy synchrotron radiation X-ray diffraction (SR-XRD). Differential scanning calorimetry was performed to identify the phase transformation temperatures. Scanning electron microscopy images show that micro-cracks in compressive regions of the wire propagate with increasing bend angle, while tensile regions tend not to exhibit crack propagation. SR-XRD patterns were analyzed to study the phase transformation and investigate micromechanical properties. By observing the various diffraction peaks such as the austenite (200) and the martensite ( ${\bar 1}12$ ), ( ${\bar 1}03$ ), ( ${\bar 1}11$ ), and (101) planes, intensities and residual strain values exhibit strong anisotropy, depending upon whether the sample is in compression or tension during bending.

Zhang, Baozhuo↗

Thermal Performance of Triply Periodic Minimal Surface Lattice Structures in Single-Phase Dielectric Fluid Cooling of Power Electronics

Additive manufacturing has transformed thermal management by enabling the production of complex, optimized geometries that conventional manufacturing methods cannot achieve. This study investigates the single-phase convective heat transfer performance of gyroid triply periodic minimal surface (TPMS) lattice structures with functional porosity. TPMS structures provide high surface area to volume ratios and are amenable to 3D printing. A gyroid numerical model was created and validated against an existing experimental study with a similar feature size to the investigated geometries. The TPMS structure has a periodic width of 1.6 mm, a length of 10 mm, and a height of 4 mm, with a functional porosity ranging from 0.5 to 0.8, decreasing with distance from the heated surface. Three different flow configurations were examined for an inlet fluid temperature of 70 °C. The inlet velocities range from 0.01 to 1.2 m/s, corresponding to a Reynolds number range of 10–900 with a heat flux of 50 W/cm 2 applied at the base. AmpCool ® AC-110 dielectric fluid (Prandtl number 59.5) was used as the coolant. Thermal performance and friction characteristics were studied for the three flow orientations. The parallel flow configuration was identified as the most efficient for heat removal. A detailed analysis of the numerical results highlights the underlying physics behind the thermal performance differences among the flow configurations.

33 ADVANCED PROPULSION SYSTEMS↗

Atomic-scale insights into topotactic transformations in an extra-large-pore zeolite using time-resolved 3D electron diffraction

Understanding the atomic-scale structural dynamics of phase transformations is crucial for developing materials and tailoring their properties. However, many materials are obtained as polycrystalline powders with large unit cells and/or complex structures, making it challenging to investigate detailed structural changes using conventional X-ray diffraction techniques. Here we employ time-resolved three-dimensional electron diffraction to reveal the topotactic reactions and transformations that convert the extra-large-pore silicate zeolite ECNU-45 into ECNU-46. ECNU-45 features three-dimensional interconnecting 24 × 10 × 10-ring channels, while ECNU-46 consists of one-dimensional 24-ring channels connected to 10-ring pockets. ECNU-45 and ECNU-46 are both examples of pure silicate zeolites with pore openings larger than 22-ring. Our findings indicate changes at six distinct tetrahedral silicon sites, involving atom displacement, addition and removal of framework atoms through bond breakage and formation. This work presents the synthesis of zeolites and also provides atomic-level insights into the dynamic processes of topotactic reactions. Our results have implications for advancing materials engineering and understanding complex solid-state reactions at an atomic scale.

Inorganic chemistry↗

Toward Realistic Models of the Electrocatalytic Oxygen Evolution Reaction

The electrocatalytic oxygen evolution reaction (OER) supplies the protons and electrons needed to transform renewable electricity into chemicals and fuels. However, the OER is kinetically sluggish; it operates at significant rates only when the applied potential far exceeds the reversible voltage. The origin of this overpotential is hidden in a complex mechanism involving multiple electron transfers and chemical bond making/breaking steps. Our desire to improve catalytic performance has then made mechanistic studies of the OER an area of major scientific inquiry, though the complexity of the reaction has made understanding difficult. While historically, mechanistic studies have relied solely on experiment and phenomenological models, over the past twenty years ab initio simulation has been playing an increasingly important role in developing our understanding of the electrocatalytic OER and its reaction mechanisms. In this Review we cover advances in our mechanistic understanding of the OER, organized by increasing complexity in the way through which the OER is modeled. We begin with phenomenological models built using experimental data before reviewing early efforts to incorporate ab initio methods into mechanistic studies. We go on to cover how the assumptions in these early ab initio simulations-no electric field, electrolyte, or explicit kinetics-have been relaxed. Through comparison with experimental literature, we explore the veracity of these different assumptions. We summarize by discussing the most critical open challenges in developing models to understand the mechanisms of the OER.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Controlling Dissolution and Transformation of Zeolitic Imidazolate Frameworks by using Electron‐Beam‐Induced Amorphization

Abstract Amorphous zeolitic imidazolate frameworks (ZIFs) offer promising applications as novel functional materials. Herein, amorphization of ZIF‐L through scanning‐electron‐beam exposure is demonstrated, based on amorphization of individual ZIF‐L crystals. The amorphized ZIF product has drastically increased stability against dissolution in water. An electron dose that allows for complete preservation of amorphous particles after immersion in water is established, resulting in new shapes of amorphous ZIF‐L with spatial control at the sub‐micrometer length scale. Changed water stability as a consequence of scanning‐electron‐beam exposure is demonstrated for three additional metal–organic frameworks (ZIF‐8, Zn(BeIm)OAc, MIL‐101), highlighting the potential use of an electron beam for top‐down MOF patterning. Lastly, recrystallization of ZIF‐L in the presence of linker is studied and shows distinct differences for crystalline and amorphized material.

Conrad, Sabrina↗

An electron-microscope study of alpha to gamma transformation in an iron-nickel alloy

Procedures used to study the alpha to gamma conversion in thin foils of an iron alloy with 32% nickel concentration and initial martensite conversion temperature of -60 C are described. Photomicrographs show deformation twinning as well as changes in samples after they were heated. Reverse conversion is discussed and results are examined.

Lobodyuk, V. A.↗

Luminescence improvement in Pr{sup 3+} and Gd{sup 3+} activated Sr{sub 2}Mg(BO{sub 3}){sub 2} inorganic phosphor

Highlights: • Sr{sub 2}Mg(BO{sub 3}){sub 2} doped Gd{sup 3+} and Pr{sup 3+} have been synthesized by solution combustion synthesis technique. • Effect of doping concentration of Gd{sup 3+} and Pr{sup 3+} on the luminescence of synthesized material is discussed. • Effect of charge compensation by Li{sup +}, Na{sup +} and K{sup +} on emission intensity is studied in detail. • Efficient energy transfer from Pr{sup 3+} to Gd{sup 3+} in Sr{sub 2}Mg(BO{sub 3}){sub 2} was observed. • Optimum concentration and critical transfer distance for optimum concentration have been determined. - Abstract: The photoluminescence properties of (Sr{sub 1−x}Pr{sub x}){sub 2}Mg(BO{sub 3}){sub 2}; (Sr{sub 1−2x}Pr{sub x}M{sub x}){sub 2}Mg(BO{sub 3}){sub 2,} (M = Li, Na, K); (Sr{sub 1−x}Gd{sub x}){sub 2}Mg(BO{sub 3}){sub 2}; (Sr{sub 1−2x}Gd{sub x}M{sub x}){sub 2}Mg(BO{sub 3}){sub 2}, (M = Li, Na, K) and (Sr{sub 1−4x}Pr{sub x}Gd{sub x}Na{sub 2x}){sub 2}Mg(BO{sub 3}){sub 2} inorganic phosphors prepared by solution combustion synthesis technique are discussed. The structure of the prepared phosphor characterized using Thermogravimetric–differential thermal analysis, X-ray diffraction and fourier transform-infrared. Scanning electron microscopy images of the prepared materials show irregular grains with agglomerate phenomena. Photoluminescence properties were studied at room temperature. Optimum concentration and critical transfer distance of the synthesized phosphors were determined.

36 MATERIALS SCIENCE↗

Ab initio two-component Ehrenfest dynamics

We present an ab initio two-component Ehrenfest-based mixed quantum/classical molecular dynamics method to describe the effect of nuclear motion on the electron spin dynamics (and vice versa) in molecular systems. The two-component time-dependent non-collinear density functional theory is used for the propagation of spin-polarized electrons while the nuclei are treated classically. We use a three-time-step algorithm for the numerical integration of the coupled equations of motion, namely, the velocity Verlet for nuclear motion, the nuclear-position-dependent midpoint Fock update, and the modified midpoint and unitary transformation method for electronic propagation. As a test case, the method is applied to the dissociation of H{sub 2} and O{sub 2}. In contrast to conventional Ehrenfest dynamics, this two-component approach provides a first principles description of the dynamics of non-collinear (e.g., spin-frustrated) magnetic materials, as well as the proper description of spin-state crossover, spin-rotation, and spin-flip dynamics by relaxing the constraint on spin configuration. This method also holds potential for applications to spin transport in molecular or even nanoscale magnetic devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Inelastic electron tunneling spectroscopy of difurylethene-based photochromic single-molecule junctions

Diarylethene-derived molecules alter their electronic structure upon transformation between the open and closed forms of the diarylethene core, when exposed to ultraviolet (UV) or visible light. This transformation results in a significant variation of electrical conductance and vibrational properties of corresponding molecular junctions. We report here a combined experimental and theoretical analysis of charge transport through diarylethene-derived single-molecule devices, which are created using the mechanically controlled break-junction technique. Inelastic electron tunneling (IET) spectroscopy measurements performed at 4.2 K are compared with first-principles calculations in the two distinct forms of diarylethenes connected to gold electrodes. The combined approach clearly demonstrates that the IET spectra of single-molecule junctions show specific vibrational features that can be used to identify different isomeric molecular states by transport experiments.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Synthesis and characterization of polylactide/doxorubicin/magnetic nanoparticles composites for drug delivery

Magnetic iron oxide nanoparticles have potential to transform conventional therapeutics, through targeted delivery by external magnetic field modulation. Conventional drug delivery lacks specificity; both normal and infected cells are exposed to toxic drugs. Consequently, the toxicity towards healthy cells leads to detrimental side effects which are formidable. However, iron oxide research in biomedicine has been hindered by their lack of stability. This study reports on the stabilization of iron oxide by polylactide (PLA). Besides affording stable iron oxide, PLA is also good for sustained delivery of the drug. PLA/doxorubicin/magnetic nanoparticles (PLA/DOX/MNPs) spheres were synthesized by solvent evaporation method and DOX anticancer drug was encapsulated. The spheres were characterized using scanning electron microscope, Fourier transform infrared microscope, thermogravimetric analyzer and UV-visible spectroscopy, which ascertained formation of the anticipated spheres and incorporation of DOX. In vitro drug release studies were carried out in both phosphate buffer (pH 7.4) and acetate buffer (pH 4.6) and they showed the same trend in both mediums. Drug release kinetics followed Higuchi model, which proved drug release by diffusion via a diffusion gradient.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Synthesis of poly(aniline-co-o-toluidine) coatings on copper

The corrosion protective poly(aniline-co-o-toluidine) (PAOT) coatings were synthesized on copper (Cu) by the electrochemical copolymerization of aniline with o-toluidine under cyclic voltammetry conditions. Aqueous oxalate solutions were used as the supporting electrolytes for the synthesis of PAOT coatings on Cu. The resulting coatings were characterized by different spectroscopic techniques, cyclic voltammetry, ultraviolet-visible absorption spectroscopy, Fourier transform infrared spectroscopy (FTIR), nuclear magnetic resonance spectroscopy (NMR), and scanning electron microscopy. The Fourier Transform InfraRed (FTIR) spectroscopy and Nuclear Magnetic Resonance (NMR) spectroscopy studies reveal that the copolymerization of aniline and o-toluidine takes place on Cu substrates from an aqueous oxalate solutions and resulting in PAOT copolymer, there are more o-toluidine units than aniline units.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Electrical and optical properties of NdAlO{sub 3} synthesized by an optimized combustion process

Nanocrystals of neodymium aluminate (NdAlO{sub 3}) are synthesized using an optimized single step auto-ignition citrate complex combustion process. The combustion product was characterized by X-ray diffraction, transmission electron microscopy, Fourier transform infrared spectroscopy, Raman spectroscopy and Ultraviolet–visible reflection spectroscopy. The combustion product is single phase and composed of aggregates of nanocrystals of sizes in the range 20–40 nm. The NdAlO{sub 3} crystallized in rhombohedral perovskite structure with lattice parameters a = 5.3223 Å and c = 12.9292 Å. The absorption spectrum of the NdAlO{sub 3} nanocrystals shows characteristic absorption bands of the Nd atom. The polycrystalline fluffy combustion product is sintered to high density (∼ 97%) at ∼ 1450 °C for 4 h and the microstructure was characterized by scanning electron microscopy. The electrical properties of the sintered product were studied using dielectric measurements. The sintered NdAlO{sub 3} has a dielectric constant (ε{sub r}) and a dielectric loss (tan δ) of 21.9 and ∼ 10{sup −3} at 5 MHz, respectively. - Highlights: • NdAlO{sub 3} nanocrystals were synthesized through a citrate combustion process. • The nanocrystals were sintered to ∼ 97% of theoretical density. • The materials were characterized using a number of analytical techniques. • Nanostructured NdAlO{sub 3} showed crystal field splitting of Nd ions. • Dielectric properties of the sintered NdAlO{sub 3} ceramics were studied.

36 MATERIALS SCIENCE↗

Optical characterization of free electron concentration in heteroepitaxial InN layers using Fourier transform infrared spectroscopy and a 2 Multiplication-Sign 2 transfer-matrix algebra

Fourier Transform Infrared (FTIR) reflectance spectroscopy has been implemented as a non-destructive, non-invasive, tool for the optical characterization of a set of c-plane InN single heteroepitaxial layers spanning a wide range of thicknesses (30-2000 nm). The c-plane (0001) InN epilayers were grown by plasma-assisted molecular beam epitaxy (PAMBE) on GaN(0001) buffer layers which had been grown on Al{sub 2}O{sub 3}(0001) substrates. It is shown that for arbitrary multilayers with homogeneous anisotropic layers having their principal axes coincident with the laboratory coordinates, a 2 Multiplication-Sign 2 matrix algebra based on a general transfer-matrix method (GTMM) is adequate to interpret their optical response. Analysis of optical reflectance in the far and mid infrared spectral range has been found capable to discriminate between the bulk, the surface and interface contributions of free carriers in the InN epilayers revealing the existence of electron accumulation layers with carrier concentrations in mid 10{sup 19} cm{sup -3} at both the InN surface and the InN/GaN interface. The spectra could be fitted with a three-layer model, determining the different electron concentration and mobility values of the bulk and of the surface and the interface electron accumulation layers in the InN films. The variation of these values with increasing InN thickness could be also sensitively detected by the optical measurements. The comparison between the optically determined drift mobility and the Hall mobility of the thickest sample reveals a value of r{sub H} = 1.49 for the Hall factor of InN at a carrier concentration of 1.11 Multiplication-Sign 10{sup 19} cm{sup -3} at 300 Degree-Sign {Kappa}.

36 MATERIALS SCIENCE↗