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At least 433 records · Page 24

Topological edge conduction induced by strong anisotropic exchange interactions

Here, we predict that an interplay between isotropic and anisotropic exchange interactions in a honeycomb lattice structure can lead to topological edge conduction when the anisotropic interaction is at least twice the strength of the isotropic interaction. For materials like Na 2 ⁢IrO 3 , such a strong anisotropic exchange interaction simultaneously induces a zigzag type of antiferromagnetic order that breaks the time-reversal symmetry of the topological edge conductor. We show that the electronic transport in such topological conductors will exhibit a quantized Hall conductance without any external magnetic field when the Fermi energy lies within a particular energy range.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Stress concentration around circular hole in a composite material specimen representative of the X-29A forward-swept wing aircraft

The theory of anisotropic elasticity was used to evaluate the anisotropic stress concentration factors of a composite laminated plate containing a small circular hole. This advanced composite material was used to manufacture the X-29A forward swept wing. Observe that the usual isotropic material stress concentration factor is three. However, for composite material, it was found that the anisotropic stress concentration factor is no longer constant, and that the locations of maximum tangential stress points could shift by changing the fiber orientation with respect to the loading axis. The analysis showed that through the lamination process, the stress concentration factor could be drastically reduced, and therefore the structural performance could be improved. Both the mixture rule approach and the constant strain approach were used to calculate the stress concentration factor. The results predicted by the mixture rule approach were about 20 percent deviate from the experimental data. However, the results predicted by the constant strain approach matched the testing data very well. This showed the importance of the inplane shear effect on the evaluation of stress concentration factor for the X-29A composite plate.

Yeh, Hsien-Yang↗

Fabric-enriched continuum breakage mechanics (F-CBM )

A fabric-enriched continuum breakage mechanics (F-CBM) framework is developed to examine the relation between elastic and inelastic anisotropy in granular materials subjected to high pressure. For this purpose, emphasis is given to the influence of the anisotropic fabric on the plastic cap regime – that is, a macroscopic signature of the inelasticity of granular materials widely dependent on the particle crushability. Anisotropic behaviour prior to yielding is introduced through a symmetric second-order fabric tensor embedded in the expression of the elastic energy potential. It is shown that, thanks to its energy-based formulation, the F-CBM framework provides a platform to predict the rotation and distortion of the yield cap of granular materials as an outcome of anisotropic strain energy storage prior to grain crushing. Parametric analyses indicate that both the degree of anisotropy and the orientation of the fabric have an impact on the energy release resulting from grain crushing and contribute to the resulting stress–strain behaviour. It is shown that, despite the use of very few parameters, the proposed framework can accurately predict the anisotropic yielding and inelastic stress–strain response solely on the basis of the directional properties inferred from measurements of elastic anisotropy.

Engineering↗

Silver-Mediated Squaric Acid Reduction as a Facile, Ambient-temperature and Seedless Route to Tunable Bimetallic Au/Ag Nanostars and Nanosnowflakes

In this work, bimetallic Au/Ag nanoparticles were successfully synthesized using a facile and reproducible method involving rapid, room temperature mixing of aqueous solutions of HAuCl 4 and AgNO 3 in the presence of squaric acid as both the reducing agent and surface capping ligand. Variation in the initial Au:Ag molar ratio yielded a tunable anisotropic shape and affiliated surface plasmon resonance. The nanoparticles displayed excellent stability in water for at least 10 weeks and showed robust catalytic activity in the borohydride-assisted reduction of the model substrate 4-nitrophenol.

36 MATERIALS SCIENCE↗

Effect of Domain Size, Boundary, and Loading Conditions on Mechanical Properties of Amorphous Silica: A Reactive Molecular Dynamics Study

Mechanical properties are very important when choosing a material for a specific application. They help to determine the range of usefulness of a material, establish the service life, and classify and identify materials. The size effect on mechanical properties has been well established numerically and experimentally. However, the role of the size effect combined with boundary and loading conditions on mechanical properties remains unknown. In this paper, by using molecular dynamics (MD) simulations with the state-of-the-art ReaxFF force field, we study mechanical properties of amorphous silica (e.g., Young’s modulus, Poisson’s ratio) as a function of domain size, full-/semi-periodic boundary condition, and tensile/compressive loading. We found that the domain-size effect on Young’s modulus and Poisson’s ratio is much more significant in semi-periodic domains compared to full-periodic domains. The results, for the first time, revealed the bimodular and anisotropic nature of amorphous silica at the atomic level. We also defined a “safe zone” regarding the domain size, where the bulk properties of amorphous silica can be reproducible, while the computational cost and accuracy are in balance.

bimodular materials↗

Low-cost single-crystal turbine blades, volume 2

The overall objectives of Project 3 were to develop the exothermic casting process to produce uncooled single-crystal (SC) HP turbine blades in MAR-M 247 and higher strength derivative alloys and to validate the materials process and components through extensive mechanical property testing, rig testing, and 200 hours of endurance engine testing. These Program objectives were achieved. The exothermic casting process was successfully developed into a low-cost nonproperietary method for producing single-crystal castings. Single-crystal MAR-M 247 and two derivatives DS alloys developed during this project, NASAIR 100 and SC Alloy 3, were fully characterized through mechanical property testing. SC MAR-M 247 shows no significant improvement in strength over directionally solidified (DS) MAR-M 247, but the derivative alloys, NASAIR 100 and Alloy 3, show significant tensile and fatigue improvements. Firtree testing, holography, and strain-gauge rig testing were used to determine the effects of the anisotropic characteristics of single-crystal materials. No undesirable characteristics were found. In general, the single-crystal material behaved similarly to DS MAR-M 247. Two complete engine sets of SC HP turbine blades were cast using the exothermic casting process and fully machined. These blades were successfully engine-tested.

Strangman, T. E.↗

Nanoscale decoupling of electronic nematicity and structural anisotropy in FeSe thin films

In a material prone to a nematic instability, anisotropic strain in principle provides a preferred symmetry-breaking direction for the electronic nematic state to follow. This is consistent with experimental observations, where electronic nematicity and structural anisotropy typically appear hand-in-hand. In this work, we discover that electronic nematicity can be locally decoupled from the underlying structural anisotropy in strain-engineered iron-selenide (FeSe) thin films. We use heteroepitaxial molecular beam epitaxy to grow FeSe with a nanoscale network of modulations that give rise to spatially varying strain. We map local anisotropic strain by analyzing scanning tunneling microscopy topographs, and visualize electronic nematic domains from concomitant spectroscopic maps. While the domains form so that the energy of nemato-elastic coupling is minimized, we observe distinct regions where electronic nematic ordering fails to flip direction, even though the underlying structural anisotropy is locally reversed. The findings point towards a nanometer-scale stiffness of the nematic order parameter.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Thermal stability of anisotropic bonded magnets prepared by additive manufacturing

Abstract In this research, anisotropic NdFeB + SmFeN hybrid and NdFeB bonded magnets are additively printed in a polyphenylene sulfide (PPS) polymer binder. Printed NdFeB + SmFeN PPS bonded magnets displayed excellent magnetic properties ( B r [remanence] = 6.9 kG [0.69 T], H cj [coercivity] = 8.3 kOe [660 kA/m], and BH max [energy product] = 9.9 MGOe [79 kJ/m 3 ]) with superior corrosion resistance and thermal stability. The anisotropic NdFeB bonded magnet shows a high coercivity of 14.6 kOe (1162 kA/m) with a BH max of 8.7 MGOe (69 kJ/m 3 ). The coercivity and remanence temperature coefficients for NdFeB + SmFeN hybrid bonded magnets are −0.10%/K and −0.46%/K, and for NdFeB bonded magnets are −0.14%/K and −0.53%/K in the range of 300–400 K, indicating that the hybrid bonded magnets are thermally stable. The average flux aging loss for hybrid magnets was also determined to be very stable over 2000 h at 448 K (175°C) in air with 2.04% compared to that of NdFeB magnets with 3.62%.

thermal stability↗

A kinematically driven anisotropic viscoelastic constitutive model applied to tires

Aircraft tires are composite structures manufactured with viscoelastic materials such as carbon black filled rubber and nylon cords. When loaded they experience large deflections and moderately large strains. Detailed structural models of tires require the use of either nonlinear shell or nonlinear three dimensional solid finite elements. Computational predictions of the dynamic response of tires must consider the composite viscoelastic material behavior in a realistic fashion. We describe a modification to a nonlinear anisotropic shell finite element so it can be used to model viscoelastic stresses during general deformations. The model is developed by introducing internal variables of the type used to model elastic strain energy. The internal variables are strains, curvatures, and transverse shear angles which are in a one-to-one correspondence with the generalized coordinates used to model the elastic strain energy for nonlinear response. A difference-relaxation equation is used to relate changes in the observable strain field to changes in the internal strain field. The internal stress state is introduced into the equilibrium equations by converting it to nodal loads associated with the element's displacement degrees of freedom. In this form the tangent matrix in the Newton-Raphson solution algorithm is not modified from its form for the nonlinear statics problem. Only the gradient vector is modified and the modification is not computationally costly. The existing finite element model for the Space Shuttle nose gear tire is used to provide examples of the algorithm. In the first example, the tire's rim is displaced at a constant rate up to a fixed value. In the second example, the tire's rim is enforced to follow a saw tooth load and unload curve to generate hysteresis loops.

Johnson, Arthur R.↗

Effect of processing hydrogen pressure on magnetic properties of HDDR Nd-Fe-B magnet

High coercivity and anisotropic Nd-Fe-B powders for making anisotropic bonded magnets have been prepared by hydrogenation-disproportionation-desorption-recombination (HDDR). In this work, we found that the processing hydrogen pressure is intimately correlated with the formation of c-axis crystal texture of Nd 2 Fe 14 B phase. There exists a critical hydrogen pressure, P crit , during hydrogen-disproportionation stage, that promotes the formation of c-axis crystal texture. When processing hydrogen pressure is higher than P crit , the formation of c-axis texture deteriorates and results in isotropic Nd-Fe-B magnetic powders. The existence of P crit is ascribed to the thermodynamics and kinetics origin during HDDR process.

36 MATERIALS SCIENCE↗

Tunable Magnetic and Optical Anisotropy in ZrO 2 ‐Co Vertically Aligned Nanocomposites

Abstract Metamaterials have gained great research interest in recent years owing to their potential for property tunability, multifunctionality, and property coupling. As a new group of self‐assembled thin films, vertically aligned nanocomposite (VAN)‐based hybrid metamaterials have been demonstrated with significant anisotropic physical properties and a broad range of property tailorability, such as optical anisotropy, magnetic anisotropy, hyperbolic dispersion, and enhanced second harmonic generation properties. Herein, self‐assembled ZrO 2 ‐Co nanocomposite films, with high epitaxial quality and ultra‐fine vertically aligned Co nanopillars (with an average diameter of ≈2 nm) embedded in a ZrO 2 matrix, are fabricated using a pulsed laser deposition (PLD) method. The Co pillar density can be effectively tuned by varying the Co concentration in the target, which results in tunable optical properties and magnetic properties. Specifically, a high saturation magnetization of 100 emu cm −3 , strong out‐of‐plane magnetic anisotropy and tailorable magnetization properties are achieved via tuning the Co nanopillar density. Coupled with hyperbolic dispersion of dielectric constant from 950 to 1500 nm in wavelength, plasmonic Co metal nanopillars, and the unique dielectric ZrO 2 matrix, this new nanoscale hybrid metamaterial shows great potential for future integrated optical and magnetic device designs.

36 MATERIALS SCIENCE↗

Impacts of Anisotropic Porosity on Heat Transfer and Off-Gassing during Biomass Pyrolysis

The pore structure of biogenic materials imbues the ability to deliver water and nutrients through a plant from root to leaf. This anisotropic pore granularity can also play a significant role in processes such as biomass pyrolysis that are used to convert these materials into useful products like heat, fuel, and chemicals. Evolutions in modeling of biomass pyrolysis as well as imaging of pore structures allow for further insights into the concerted physics of phase change-induced off-gassing, heat transfer, and chemical reactions. In this work, we report a biomass single particle model which incorporates these physics to explore the impact of implementing anisotropic permeability and diffusivity on the conversion time and yields predicted for pyrolysis of oak and pine particles. Simulation results showed that anisotropic permeability impacts predicted conversion time more than 2 times when the Biot number is above 0.1 and pyrolysis numbers (Py 1 , Py 2 ) are less than 20. Pore structure significantly impacts predicted pyrolytic conversion time (>8 times) when the Biot number is above 1 and the pyrolysis number is below 1, i.e., the “conduction controlled” regime. Therefore, these nondimensional numbers reflect that when internal heat conduction limits pyrolysis performance, internal pyrolysis off-gassing further retards effective heat transfer rates as a closely coupled phenomenon. Overall, this study highlights physically meaningful opportunities to improve particle-scale pyrolysis modeling and experimental validation relevant to a variety of feedstock identities and preparations, guiding the future design of pyrolyzers for efficient biomass conversion.

09 BIOMASS FUELS↗

Iron-assisted growth of anisotropic ZnO nanostructures

Anisotropic nanostructures offer a promising pathway to modulate structure-function relationships of materials. However, the correlation between growth direction of high-quality anisotropic nanostructures, the synthesis conditions and mechanisms controlling their growth, and their magnetic and optical properties remain underexplored. In this study, we developed an iron-assisted anisotropic growth method to form zinc oxide nanostructures on the O-polar (0001̄) surface, resulting in two distinct ZnO-based nanostructures: hand-shaped nanostructures and truncated hexagonal nanopyramids. In contrast to most reports of anisotropic nanostructure synthesis, which primarily focus on morphology control through ligand-ligand interactions, the current study probes the effects of doping on anisotropic growth, and how doping, along with ligand-ligand interactions and facet-specific ligand binding, control nanostructure morphology. The reaction mechanisms leading to formation of these novel structures were thoroughly probed by systematically manipulating synthesis parameters. A two-step formation mechanism was identified: first, a hexagonal platform forms through an initial homogeneous nucleation process, followed by secondary heterogeneous nucleation, which results in metastable secondary nanostructures growing on the oxygen-rich template. Optical and magnetic properties of these Fe/ZnO nanostructures were characterized. Our findings provide a new strategy that uses a magnetic element as a dopant to build new nanostructures of ZnO with controllable size and shape growing on an oxygen-rich crystal plane. These materials could have applications in novel technologies where both optoelectronic and magnetic properties are of interest.

Xuan, Zhengxi↗

Etch Profile Simulation Using Level Set Methods

Etching and deposition of materials are critical steps in semiconductor processing for device manufacturing. Both etching and deposition may have isotropic and anisotropic components, due to directional sputtering and redeposition of materials, for example. Previous attempts at modeling profile evolution have used so-called "string theory" to simulate the moving solid-gas interface between the semiconductor and the plasma. One complication of this method is that extensive de-looping schemes are required at the profile corners. We will present a 2D profile evolution simulation using level set theory to model the surface. (1) By embedding the location of the interface in a field variable, the need for de-looping schemes is eliminated and profile corners are more accurately modeled. This level set profile evolution model will calculate both isotropic and anisotropic etch and deposition rates of a substrate in low pressure (10s mTorr) plasmas, considering the incident ion energy angular distribution functions and neutral fluxes. We will present etching profiles of Si substrates in Ar/Cl2 discharges for various incident ion energies and trench geometries.

Hwang, Helen H.↗

All‐Solid‐State Batteries With Mechanically Stable Interfaces Consisting of a Zero‐Strain Cation‐Disordered Rocksalt Cathode

Interface stabilization is critical to the development of working all‐solid‐state batteries. Rigid cathode/solid electrolyte interfaces often disintegrate due to anisotropic volume change of cathode‐active materials, resulting in irreversible capacity loss. Herein, we demonstrate that Li 1.211 Mo 0.467 Cr 0.3 O 2 (LMCO), a pioneering cation‐disordered rocksalt oxide (DRX) cathode that has intrinsically small volume change upon lithium intercalation, can be integrated with a thiophosphate‐based solid electrolyte for all‐solid‐state batteries. Interface stability of the all‐solid LMCO cell was investigated by electrochemical impedance spectroscopy, X‐ray micro‐computed tomography, and electron microscopy. Since LMCO was initially synthesized as a layered phase exhibiting a large volume change, interface disintegration can be observable in the early cycles. As layered LMCO phase‐transformed into DRX LMCO in subsequent cycles, reintegration of the interfaces occurs within a pressurized cell as a result of its zero‐stain behavior. Consequently, the DRX LMCO cathode maintains interface integrity, and thus electrical wiring, over an extended number of cycles, leading to improved capacity retention with small internal cell resistance.

DRX↗

Laponite-Incorporated UiO-66-NH2-Polyethylene Oxide Composite Membranes for Protection against Chemical Warfare Agent Simulants

A strategy is developed to enhance the barrier protection of polyethylene oxide (PEO)-metal–organic framework (MOF) composite films against chemical warfare agent simulants. To achieve enhanced protection, an impermeable high-aspect-ratio filler in the form of Laponite RD (LRD) clay platelets was incorporated into a composite PEO film containing MOF UiO-66-NH 2 . The inclusion of the platelets aids in mitigating permeation of inert hydrocarbons (octane) and toxic chemicals (2-chloroethyl ethyl sulfide, 2-CEES) of dimensions/chemistry similar to prominent vesicant threats while still maintaining high water vapor transport rates (WVTR). By utilizing small-angle neutron scattering, small-angle X-ray scattering, and wide-angle X-ray scattering, the LRD platelet alignment of the films was determined, and the structure of the films was correlated with performance as a barrier material. Performance of the membranes against toxic chemical threats was assessed using permeation testing of octane and 2-CEES, a common simulant for the vesicant mustard gas, and breathability of the membranes was assessed using WVTR measurements. To assess their robustness, chemical exposure (in situ diffuse reflectance infrared Fourier transform spectroscopy) and mechanical (tensile strength) measurements were also performed. It was demonstrated that the barrier performance of the film upon inclusion of the LRD platelets exceeds that of other MOF-polymer composites found in the literature and that this approach establishes a new path for improving permselective materials for chemical protection applications.

36 MATERIALS SCIENCE↗

Giant spin Seebeck effect through an interface organic semiconductor

Interfacing an organic semiconductor C 60 with a non-magnetic metallic thin film (Cu or Pt) has created a novel heterostructure that is ferromagnetic at ambient temperature, while its interface with a magnetic metal (Fe or Co) can tune the anisotropic magnetic surface property of the material. Here, we demonstrate that sandwiching C60 in between a magnetic insulator (Y 3 Fe 5 O 12 :YIG) and a non-magnetic, strong spin–orbit metal (Pt) promotes highly efficient spin current transport via the thermally driven spin Seebeck effect (SSE). Experiments and first principles calculations consistently show that the presence of C 60 reduces significantly the conductivity mismatch between YIG and Pt and the surface perpendicular magnetic anisotropy of YIG, giving rise to enhanced spin mixing conductance across YIG/C 60 /Pt interfaces. As a result, a 600% increase in the SSE voltage (V LSSE ) has been realized in YIG/C 60 /Pt relative to YIG/Pt. Temperature-dependent SSE voltage measurements on YIG/C 60 /Pt with varying C 60 layer thicknesses also show an exponential increase in V LSSE at low temperatures below 200 K, resembling the temperature evolution of spin diffusion length of C 60 . Our report emphasizes the important roles of the magnetic anisotropy and the spin diffusion length of the intermediate layer in the SSE in YIG/C 60 /Pt structures, providing a new pathway for developing novel spin-caloric materials.

36 MATERIALS SCIENCE↗