Atomically dispersed single Ni site catalysts for high-efficiency CO[subscript 2] electroreduction a
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Li, Yi↗
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Results for “local strain”
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Spatially programmed alignment and actuation in printed liquid crystal elastomers
Liquid crystal elastomers (LCEs) exhibit reversible shape morphing behavior when cycled above their nematic-to-isotropic transition temperature. During extrusion-based 3D printing, LCE inks are subjected to coupled shear and extensional flows that can be harnessed to spatially control the alignment of their nematic director along prescribed print paths. Here, we combine experiment and modeling to elucidate the effects of ink composition, nozzle geometry, and printing parameters on director alignment. From rheological measurements, we quantify the dimensionless Weissenberg number ( Wi ) for the flow field each ink experiences as a function of printing conditions and demonstrate that Wi is a strong predictor of LCE alignment. We find that director alignment in LCE filaments printed through a tapered nozzle varies radially when Wi < 1, while it is uniform when Wi ≫ 1. Based on COMSOL simulations and in operando X-ray measurements, we show that LCE inks printed through nozzles with an internal hyperbolic geometry exhibit a more uniform director alignment for a given Wi compared to those through tapered nozzles. Concomitantly, the stiffness along the print direction and actuation strain of printed LCEs increases substantially under such conditions. By varying Wi during printing through adjusting the flow rate “on the fly”, LCE architectures with uniform composition, yet locally encoded shape morphing transitions can be realized.
36 MATERIALS SCIENCE↗
Global functions in global-local finite-element analysis of localized stresses in prismatic structures
An important consideration in the global local finite-element method (GLFEM) is the availability of global functions for the given problem. The role and mathematical requirements of these global functions in a GLFEM analysis of localized stress states in prismatic structures are discussed. A method is described for determining these global functions. Underlying this method are theorems due to Toupin and Knowles on strain energy decay rates, which are related to a quantitative expression of Saint-Venant's principle. It is mentioned that a mathematically complete set of global functions can be generated, so that any arbitrary interface condition between the finite element and global subregions can be represented. Convergence to the true behavior can be achieved with increasing global functions and finite-element degrees of freedom. Specific attention is devoted to mathematically two-dimensional and three-dimensional prismatic structures. Comments are offered on the GLFEM analysis of NASA flat panel with a discontinuous stiffener. Methods for determining global functions for other effects are also indicated, such as steady-state dynamics and bodies under initial stress.
Dong, Stanley B.↗
Block rotations, fault domains and crustal deformation
Much of the earth's crust is broken by sets of parallel strike-slip faults which are organized in domains. A simple kinematic model suggests that when subject to tectonic strain, the faults, and the blocks bound by them, rotate. The rotation can be estimated from the structurally-determined fault slip and fault spacing, and independently from local deviations of paleomagnetic declinations from global values. A rigorous test of this model was carried out in northern Israel, where good agreement was found between the two rotations.
Nur, A.↗
Advanced k-epsilon modeling of heat transfer
This report describes two approaches to low Reynolds-number k-epsilon turbulence modeling which formulate the eddy viscosity on the wall-normal component of turbulence and a length scale. The wall-normal component of turbulence is computed via integration of the energy spectrum based on the local dissipation rate and is bounded by the isotropic condition. The models account for the anisotropy of the dissipation and the reduced mixing length due to the high strain rates present in the near-wall region. The turbulent kinetic energy and its dissipation rate were computed from the k and epsilon transport equations of Durbin. The models were tested for a wide range of turbulent flows and proved to be superior to other k-epsilon models, especially for nonequilibrium anisotropic flows. For the prediction of airfoil heat transfer, the models included a set of empirical correlations for predicting laminar-turbulent transition and laminar heat transfer augmentation due to the presence of freestream turbulence. The predictions of surface heat transfer were generally satisfactory.
Kwon, Okey↗
Global Dynamic Modeling of Space-Geodetic Data
The proposal had outlined a year for program conversion, a year for testing and debugging, and two years for numerical experiments. We kept to that schedule. In first (partial) year, author designed a finite element for isostatic thin-shell deformation on a sphere, derived all of its algebraic and stiffness properties, and embedded it in a new finite element code which derives its basic solution strategy (and some critical subroutines) from earlier flat-Earth codes. Also designed and programmed a new fault element to represent faults along plate boundaries. Wrote a preliminary version of a spherical graphics program for the display of output. Tested this new code for accuracy on individual model plates. Made estimates of the computer-time/cost efficiency of the code for whole-earth grids, which were reasonable. Finally, converted an interactive graphical grid-designer program from Cartesian to spherical geometry to permit the beginning of serious modeling. For reasons of cost efficiency, models are isostatic, and do not consider the local effects of unsupported loads or bending stresses. The requirements are: (1) ability to represent rigid rotation on a sphere; (2) ability to represent a spatially uniform strain-rate tensor in the limit of small elements; and (3) continuity of velocity across all element boundaries. Author designed a 3-node triangle shell element which has two different sets of basis functions to represent (vector) velocity and all other (scalar) variables. Such elements can be shown to converge to the formulas for plane triangles in the limit of small size, but can also applied to cover any area smaller than a hemisphere. The difficult volume integrals involved in computing the stiffness of such elements are performed numerically using 7 Gauss integration points on the surface of the sphere, beneath each of which a vertical integral is performed using about 100 points.
Bird, Peter↗
Test Cases for Modeling and Validation of Structures with Piezoelectric Actuators
A set of benchmark test articles were developed to validate techniques for modeling structures containing piezoelectric actuators using commercially available finite element analysis packages. The paper presents the development, modeling, and testing of two structures: an aluminum plate with surface mounted patch actuators and a composite box beam with surface mounted actuators. Three approaches for modeling structures containing piezoelectric actuators using the commercially available packages: MSC/NASTRAN and ANSYS are presented. The approaches, applications, and limitations are discussed. Data for both test articles are compared in terms of frequency response functions from deflection and strain data to input voltage to the actuator. Frequency response function results using the three different analysis approaches provided comparable test/analysis results. It is shown that global versus local behavior of the analytical model and test article must be considered when comparing different approaches. Also, improper bonding of actuators greatly reduces the electrical to mechanical effectiveness of the actuators producing anti-resonance errors.
Reaves, Mercedes C.↗
Innovative Escapement-Based Mechanism for Micro-Antenna Boom Deployment
This paper presents the prototype of a tubular boom antenna developed for the Polish BRITE-PL satellite by the Space Research Center of the Polish Academy of Sciences (CBK PAN). What is unique about our work is that we developed an original type of the tubular boom antenna deployment mechanism that can be used widely as a basic solution for compact electrical antennas, booms deploying sensitive instruments, ultra-light planetary manipulators etc. The invented electromagnetic driving unit provides a dual complementary action - it adds extra energy to the driving spring, making the system more reliable, and at the same time it moderates the deployment speed acting as a kind of damper. That distinguishing feature predetermines the mechanism to be applied wherever the dynamic nature of a spring drive introducing dangerous vibrations and inducing severe local stress in the structure needs to be mitigated. Moreover, the paper reveals a product unique in Europe - a miniature beryllium bronze tubular boom free of geometry and strain defects, which is essential for stiffness and fatigue resistance. Both the deployment mechanism and the technology of tubular boom manufacturing are protected by patent rights.
Tokarz, Marta↗
Strain Effects on Rashba Spin–Orbit Coupling of 2D Hole Gases in GeSn/Ge Heterostructures
A demonstration of 2D hole gases in GeSn/Ge heterostructures with a mobility as high as 20 000 cm 2 V –1 s –1 is given. Both the Shubnikov–de Haas oscillations and integer quantum Hall effect are observed, indicating high sample quality. The Rashba spin-orbit coupling (SOC) is investigated via magneto-transport. Further, a transition from weak localization to weak anti-localization is observed, which shows the tunability of the SOC strength by gating. The magneto-transport data are fitted to the Hikami–Larkin–Nagaoka formula. The phase-coherence and spin-relaxation times, as well as spin-splitting energy and Rashba coefficient of the k-cubic term, are extracted. Furthermore, the analysis reveals that the effects of strain and confinement potential at a high fraction of Sn suppress the Rashba SOC caused by the GeSn/Ge heterostructures.
36 MATERIALS SCIENCE↗
Effects of strain and defects on the topological properties of HfTe 5
Manipulating topological states is a topic of vigorous research. However, the impact of such topological phase transitions on the quasiparticle dynamics remains elusive. Here, in this work, we present the effects of a transition from a strong to weak topological insulator in HfTe 5 as a function of Te vacancy concentration. We observed a significant transition from distinct sharp surface states and Dirac crossing to a Fermi-liquid-like quasiparticle state in which these surface-localized features are heavily suppressed. Additionally, by inducing the same effect through applied uniaxial stress, we demonstrate that changes in the lattice constants play the foremost role in determining the electronic structure, self-energy, and topological states of HfTe 5 . Our results demonstrate the possibility of using both defect chemistry and strain as control parameters for topological phase transitions and associated many-body physics.
36 MATERIALS SCIENCE↗
An efficient numerical model for predicting residual stress and strain in parts manufactured by laser powder bed fusion
Abstract Computational modeling of additively manufactured structures plays an increasingly important role in product design and optimization. For laser powder bed fusion processes, the accurate modeling of stress and distortion requires large amount of computational cost due to very localized heat input and evolving complex geometries. The current study takes advantage of a graphics processing unit accelerated explicit finite element analysis code and approximated heat conduction analysis to predict the macroscopic thermo-mechanical behavior in laser selective melting. Adjacent layers and tracks were lumped to reduce the number of time steps and elements in the finite element model. The effects of track and layer grouping on prediction accuracy and solution efficiency are investigated to provide a guidance for a cost-effective simulation. Thin-wall builds from Inconel alloy 625 (IN625) powders were simulated by applying the developed modeling approach to get the detailed residual stress and distortion at a computational speed 50 times higher than conventional approach. Under repeated heating and cooling cycles, a high tensile stress was produced near surfaces of a build due to a larger shrinkage on surface than that in central area. It is also shown that horizontal stresses concentrate near the root and top layers of the IN625 build. The predicted residual elastic strain distribution was validated by the experimental measurement using x-ray synchrotron diffraction.
36 MATERIALS SCIENCE↗
Selectivity in Yttrium Manganese Oxide Synthesis via Local Chemical Potentials in Hyperdimensional Phase Space
In sharp contrast to molecular synthesis, materials synthesis is generally presumed to lack selectivity. The few known methods of designing selectivity in solid-state reactions have limited scope, such as topotactic reactions or strain stabilization. This contribution describes a general approach for searching large chemical spaces to identify selective reactions. This novel approach explains the ability of a nominally “innocent” Na 2 CO 3 precursor to enable the metathesis synthesis of single-phase Y 2 Mn 2 O 7 : an outcome that was previously only accomplished at extreme pressures and which cannot be achieved with closely related precursors of Li 2 CO 3 and K 2 CO 3 under identical conditions. By calculating the required change in chemical potential across all possible reactant-product interfaces in an expanded chemical space including Y, Mn, O, alkali metals, and halogens, using thermodynamic parameters obtained from density functional theory calculations, we identify reactions that minimize the thermodynamic competition from intermediates. In this manner, only the Na-based intermediates minimize the distance in the hyperdimensional chemical potential space to Y 2 Mn 2 O 7 , thus providing selective access to a phase which was previously thought to be metastable. Experimental evidence validating this mechanism for pathway-dependent selectivity is provided by intermediates identified from in situ synchrotron-based crystallographic analysis. Finally, this approach of calculating chemical potential distances in hyperdimensional compositional spaces provides a general method for designing selective solid-state syntheses that will be useful for gaining access to metastable phases and for identifying reaction pathways that can reduce the synthesis temperature, and cost, of technological materials.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Annealing of focused ion beam damage in gold microcrystals: an in situ Bragg coherent X-ray diffraction imaging study
Focused ion beam (FIB) techniques are commonly used to machine, analyse and image materials at the micro- and nanoscale. However, FIB modifies the integrity of the sample by creating defects that cause lattice distortions. Methods have been developed to reduce FIB-induced strain; however, these protocols need to be evaluated for their effectiveness. Here, non-destructive Bragg coherent X-ray diffraction imaging is used to study the in situ annealing of FIB-milled gold microcrystals. Two non-collinear reflections are simultaneously measured for two different crystals during a single annealing cycle, demonstrating the ability to reliably track the location of multiple Bragg peaks during thermal annealing. The thermal lattice expansion of each crystal is used to calculate the local temperature. This is compared with thermocouple readings, which are shown to be substantially affected by thermal resistance. To evaluate the annealing process, each reflection is analysed by considering facet area evolution, cross-correlation maps of the displacement field and binarized morphology, and average strain plots. The crystal's strain and morphology evolve with increasing temperature, which is likely to be caused by the diffusion of gallium in gold below ~280°C and the self-diffusion of gold above ~280°C. The majority of FIB-induced strains are removed by 380–410°C, depending on which reflection is being considered. These observations highlight the importance of measuring multiple reflections to unambiguously interpret material behaviour.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Capturing the softening in T91 steel annealed with molten LBE through interfacial gradient plasticity
In order to study the effect of annealing with molten lead–bismuth eutectic alloy (mLBE) on the mechanical properties of T91 steel, micropillar compression tests were analyzed through the consideration of mechanical interface energy terms within gradient plasticity. The stress–strain curves of the micropillars showed significant stochastic effects, characterized by a different elastic and plastic behavior response for each pillar. Among the various pillars, some exhibited a similar trilinear behavior. Scanning electron microscopy (SEM) images of these specimens demonstrated localized slip deformation and slip planes after compression, while transmission electron microscopy (TEM) images showed the presence of a severe slip zone along the random grain boundaries (RGBs), indicating that the GBs played a dominant role in the deformation/slip. By employing interfacial gradient plasticity that can explicitly account for the presence of GBs, the trilinear response was captured, allowing for the determination of the mechanical interface parameter. As anticipated the pillars which underwent severe slip at the GBs had a lower value for the mechanical interface parameter. Finally, annealing with mLBE can, therefore, in some cases result in softening in the overall stress–strain, as it lowers the mechanical interface energy of GBs.
36 MATERIALS SCIENCE↗
Intrinsic fatigue crack growth rates for Al-Li-Cu-Mg alloys in vacuum
The influences of microstructure and deformation mode on inert environment intrinsic fatigue crack propagation were investigated for Al-Li-Cu-Mg alloys AA2090, AA8090, and X2095 compared to AA2024. The amount of coherent shearable delta-prime (Al3Li) precipitates and extent of localized planar slip deformation were reduced by composition (increased Cu/Li in X2095) and heat treatment (double aging of AA8090). Intrinsic growth rates, obtained at high constant K(max) to minimize crack closure and in vacuum to eliminate any environmental effect, were alloy dependent; da/dN varied up to tenfold based on applied Delta-K or Delta-K/E. When compared based on a crack tip cyclic strain or opening displacement parameter, growth rates were equivalent for all alloys except X2095-T8, which exhibited unique fatigue crack growth resistance. Tortuous fatigue crack profiles and large fracture surface facets were observed for each Al-Li alloy independent of the precipitates present, particularly delta-prime, and the localized slip deformation structure. Reduced fatigue crack propagation rates for X2095 in vacuum are not explained by either residual crack closure or slip reversibility arguments; the origin of apparent slip band facets in a homogeneous slip alloy is unclear.
Slavik, D. C.↗
An Internal Digital Image Correlation Technique for High-Strain Rate Dynamic Experiments
Full-field, quantitative visualization techniques, such as digital image correlation (DIC), have unlocked vast opportunities for experimental mechanics. However, DIC has traditionally been a surface measurement technique, and has not been extended to perform measurements on the interior of specimens for dynamic, full-scale laboratory experiments. This limitation restricts the scope of physics which can be investigated through DIC measurements, especially in the context of heterogeneous materials. The focus of this study is to develop a method for performing internal DIC measurements in dynamic experiments. The aim is to demonstrate its feasibility and accuracy across a range of stresses (up to 650 MPa), strain rates (10 3 - 10 6 s -1 ), and high-strain rate loading conditions (e.g., ramped and shock wave loading). Internal DIC is developed based on the concept of applying a speckle pattern at an inner-plane of a transparent specimen. The high-speed imaging configuration is coupled to the traditional dynamic experimental setups, and is focused on the internal speckle pattern. During the experiment, while the sample deforms dynamically, in-plane, two-dimensional deformations are measured via correlation of the internal speckle pattern. In this study, the viability and accuracy of the internal DIC technique is demonstrated for split-Hopkinson (Kolsky) pressure bar (SHPB) and plate impact experiments. The internal DIC experimental technique is successfully demonstrated in both the SHPB and plate impact experiments. In the SHPB setting, the accuracy of the technique is excellent throughout the deformation regime, with measurement noise of approximately 0.2% strain. In the case of plate impact experiments, the technique performs well, with error and measurement noise of 1% strain. The internal DIC technique has been developed and demonstrated to work well for full-scale dynamic high-strain rate and shock laboratory experiments, and the accuracy is quantified. Here, the technique can aid in investigating the physics and mechanics of the dynamic behavior of materials, including local deformation fields around dynamically loaded material heterogeneities.
36 MATERIALS SCIENCE↗
Disentangling Coexisting Structural Order Through Phase Lock-In Analysis of Atomic-Resolution STEM Data
As a real-space technique, atomic-resolution STEM imaging contains both amplitude and geometric phase information about structural order in materials, with the latter encoding important information about local variations and heterogeneities present in crystalline lattices. Such phase information can be extracted using geometric phase analysis (GPA), a method which has generally focused on spatially mapping elastic strain. Here we demonstrate an alternative phase demodulation technique and its application to reveal complex structural phenomena in correlated quantum materials. As with other methods of image phase analysis, the phase lock-in approach can be implemented to extract detailed information about structural order and disorder, including dislocations and compound defects in crystals. Extending the application of this phase analysis to Fourier components that encode periodic modulations of the crystalline lattice, such as superlattice or secondary frequency peaks, we extract the behavior of multiple distinct order parameters within the same image, yielding insights into not only the crystalline heterogeneity but also subtle emergent order parameters such as antipolar displacements. When applied to atomic-resolution images spanning large (~0.5 × 0.5 μm 2 ) fields of view, this approach enables vivid visualizations of the spatial interplay between various structural orders in novel materials.
74 ATOMIC AND MOLECULAR PHYSICS↗
Metal Site Substitution and Role of the Dimer on Symmetry Breaking in FePS 3 and CrPS 4 under Pressure
We combine infrared absorption, Raman scattering, and diamond anvil cell techniques to explore the properties of FePS 3 and CrPS 4 under pressure, comparing our findings with a symmetry analysis, lattice dynamics calculations, and an examination of the energy landscape. Although these complex chalcogenides are considered to be members of the same family of materials, they display remarkably different phase progressions on account of the metal center orbital filling, character of the P–P linkage, layer corrugation, and differing size of the van der Waals gap. Here, we discuss the space group progressions, structure–property relations, and development of pressure-induced metallicity in terms of the competition between local and long-range symmetry transformations and structural distortion pathways. These findings place the properties of FePS 3 and CrPS 4 on a firm foundation for work under strain control and in the single layer limit.
36 MATERIALS SCIENCE↗