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At least 379 records · Page 21

Orientation dependent spall strength of tantalum single crystals

We report that it is generally recognized that single crystals exhibit orientation-dependent elastic and plastic responses. However, it is less known how the dynamic tensile, or spall, strength depends on crystalline orientation, especially for BCC materials. It has been previously shown that the dynamic tensile strength of FCC materials is highly dependent on their plastic response under compression, with a direct correlation between plastic deformation and spall strength. In BCC materials like Ta, where the primary deformation mechanism at high strain rates is a combination of slip and twinning, the quantitative dependence of spall strength on these deformation mechanisms is less understood. To fill this gap in our knowledge, a series of non-equilibrium molecular dynamics simulations are completed for six tantalum single crystal orientations: <001>, <011>, <111>, <013>, <112>, <149>, to explore the role of directional anisotropy on ductile spallation. Our results show that due to the role of non-Schmid and release effects in BCC Ta, the evolution of plasticity follows a complex trajectory through shock compression, release, and tension. Orientations that contain residual twinning deformation have a reduced spall strength proportional to the amount of twinning present. Lastly, twins and their intersections function as regions of increased stress localization within the system due to compatibility requirements and their interactions with dislocations.

36 MATERIALS SCIENCE↗

Effects of heat treatment and build orientation on the evolution of $ϵ$ and $α'$ martensite and strength during compressive loading of additively manufactured 304L stainless steel

In this paper, the effect of heat-treatment and build orientation on martensitic phase transformation in additively manufactured (AM) 304L stainless steel is studied and compared with conventionally produced wrought material. The relationships between observed martensitic transformations and material microstructures and their effects on mechanical strength are established through experimental observations. In situ high-energy X-ray powder diffraction measurements were performed to monitor the evolution of $ϵ$ and $α'$ martensite during compressive loading of stainless steel. Electron backscatter diffraction (EBSD) was used to provide insight on initial grain morphology, crystallographic misorientation within grains, and crystallographic texture. Heat treatment alters the microstructure of AM samples creating different initial conditions. This difference in starting microstructure resulted in variability in martensitic transformation during compressive deformation. The rate of martensitic transformation decreased for AM samples treated with temperatures up to 1100°C, after which the AM microstructures recrystallized, resulting in increased rate of martensitic transformation for those samples treated at higher temperatures. It was also observed that aligning the axis of compression with the AM build direction resulted in a lower rate of strain-induced martensite formation as opposed to aligning the compression axis perpendicular to it. More favorable distribution of crystal orientations in the latter loading orientation promoted martensitic transformation. These and additional experimental observations from EBSD in terms of kernel average misorientation, mean grain orientation spread, and mean crystallite size reveal strong microstructural effects on strength of additively manufactured metallic materials.

304L stainless steel↗

Build Orientation Dependent Microstructure in Polymer Laser Sintering: Relationship to Part Performance and Evolution with Aging

Laser sintering (LS) is widely used to produce functional polymeric parts; however, the resulting parts are often limited by their porous structure, and performance of the part may be strongly anisotropic. Relating the structural features of parts to build process conditions or powder feedstock has been explored previously. In contrast, little is known regarding how the unique internal structures of LS parts evolve and relate to their performance later in their life cycle, for example, after use in a real-world operating environment. In this study, a tightly controlled LS build process and measurement campaign by standard X-ray computed tomography (XCT), supported by high-resolution synchrotron XCT, was used to benchmark the internal microstructure (e.g. porosity) as a function of four different build orientations in printed polyamide-12 (PA-12) parts. The initial performance of the parts after printing was characterized by tensile testing and dynamic mechanical analysis (DMA). Arrays of PA-12 parts in different build orientations were exposed to steam (under pressure) and air across multiple temperature and time points for the purposes of accelerated aging through oxidative and hydrolytic breakdown. Exposing parts to steam dramatically altered the internal microstructure and functional properties such as the glass transition temperature, tensile properties, and damping behavior. Notably, post-aging XCT revealed large microstructural changes after only 40 h of steam treatment relative to the as-printed specimens. Furthermore, pore reorganization and changes in crystallinity occurred regardless of whether the steam temperature was aggressive enough to induce a significant loss in mechanical properties. The build orientation dependence on the aging rate was minimal with the relative trend in performance persisting across most metrics among the different orientations even after aging.

36 MATERIALS SCIENCE↗

Fiber orientation effects on ultra-high performance concrete formed by 3D printing

Despite the growing interest in 3D concrete printing, its current progress is limited by reinforcing methods. Inclusion of steel fibers is a potential reinforcing solution; however, the effect of printing process on orientation of the fibers is still unknown. This study aims to quantitatively investigate the orientation distribution of steel fibers in 3D printed ultra-high performance concrete. The effects of extrusion nozzle size, Cartesian print speed, and fiber volume fraction on the orientation of fibers were evaluated using digital image analysis. The consequent effects of the fiber orientation on the mechanical properties of the 3D-printed specimens were also determined. The results were compared with those of the conventionally mold-cast specimens. The results revealed that the smaller nozzle size and higher fiber volume fraction significantly enhanced the fiber alignment parallel to the printing direction. This preferential fiber alignment led to superior mechanical performance of the printed specimens to the mold-cast specimens.

36 MATERIALS SCIENCE↗

Monitoring steel fibre orientation in self-compacting cementitious composite slabs during pouring with dynamic X-ray radiography

This paper presents a new technique based on dynamic X-ray radiography that can be used to assess fibre orientation during pouring of steel fibre reinforced cementitious composites. Synthetic examples were used to assess the suitability and robustness of the technique, which was shown to provide reliable measurements of fibre orientation even when the signal-to-noise ratio is relatively high. A study was then carried out on the effect of formwork aspect ratio, time/duration of pouring, and rebar placement on the fibre orientation while pouring self-compacting cementitious composite slabs. Results demonstrated the ability of the technique in monitoring the movements of fibres while pouring, and the strong effect of the flow in inducing preferential fibre alignment within the slabs. Fibre orientation was found to vary progressively over time and could take about half of the duration of pouring to fully stabilise.

36 MATERIALS SCIENCE↗

Effect of orientation on the directional and hemispherical emissivity of hyperbolic metamaterials

Here, we investigate the spectral directional and hemispherical emissivity of hyperbolic metamaterials with arbitrary orientation of the optic axis. The 4 x 4 matrix method is combined with coordinate rotational transforms to circumvent projection operations. The two hyperbolic bands of hexagonal boron nitride (hBN) are examined in detail to elucidate the influence of the orientation of the optic axis on the emissivities for both transverse magnetic (TM) and transverse electric (TE) waves. The results show that the orientation of the optic axis can greatly affect the hemispherical emissivity in the two hyperbolic bands of hBN. The directional emissivity varies periodically with the azimuthal angle when TM and TE waves are coupled, resulting in conversion of polarization in the medium. For both TM and TE waves, the matching of impedance and admittance at the surface of the material is better for smaller tilting angle in the type I hyperbolic band, but the opposite is true in type II hyperbolic band where the matching becomes better for larger tilting angles. As the tilting angle increases, the hemispherical emissivity decreases in the type I hyperbolic band but increases in the type II hyperbolic band. Our conclusions can be extended to other hyperbolic materials. Therefore, this work may provide valuable guidance on characterization, measurement and tailoring of the directional and hemispherical emissivity for hBN and other hyperbolic materials with arbitrary orientation and application of such materials for manipulation of radiative heat transfer.

36 MATERIALS SCIENCE↗

10% Efficiency Cu(In,Ga)Se2 Solar Cell with Strongly (220)/(204) Oriented Cu-Poor Absorber Layers Sputtered Using Single Quaternary Target

Cu-poor CIGS thin films were fabricated by RF magnetron sputtering from a single quaternary target with the composition of Cu0.7In0.7Ga0.3Se2, in an effort to improve the cell efficiency of CIGS solar cells. The Cu-poor thin films with the ([Cu]/[In]+[Ga]) composition ratios of 0.70-0.77 were obtained showing that the composition of the target can be transferred to the film. It was also observed that the strongly (220)/(204) preferred orientation appeared at the substrate temperatures higher than 600 degrees C, which is known to be essential for achieving high-quality CIGS solar cells. This result indicates that the Cu-Se compounds present in trace amounts of CIGS films hinder the (112) orientation and promotes the growth of the (220) orientation. As a result, the CIGS absorber layer with the Cu-poor composition and the (220)/(204) preferred orientation exhibited a drastically improved cell efficiency of 10.02%.

14 SOLAR ENERGY↗

Orientational order of [VOF{sub 5}]{sup 2-} and [NbOF{sub 5}]{sup 2-} polar units in chains

The generation of polarity in the solid state necessitates ordered, polar basic-building units (BBUs). This paper examines the evolution of ordered BBUs of 1D chains constructed of early transition metals (ETMs) and late transition metals. The cause of polar distortion orientation is illustrated with subtle alterations in the heterotypic structures of one previously reported compound (CuNbOF{sub 5}(H{sub 2}O){sub 2}(pyz){sub 3}) and three new hybrid materials, presented here: CuNbOF{sub 5}(H{sub 2}O){sub 4}(pyz){sub 2} (1), CuVOF{sub 5}(H{sub 2}O){sub 4}(pyz){sub 2} (2) and CuVOF{sub 5}(H{sub 2}O){sub 2}(pyz){sub 3} (3) (pyz=pyrazine). In contrast to the [NbOF{sub 5}]{sup 2-} octahedra of CuNbOF{sub 5}(H{sub 2}O){sub 2}(pyz){sub 3} and compound (1) that have oxide ligands within the 1D BBUs, the [VOF{sub 5}]{sup 2-} octahedra of compounds (2) and (3) contain disordered oxide ligands perpendicular to the chains. To create polar 1D BBUs in the solid state, one must have an understanding of how to direct distortions. We demonstrate that the choice of specific polar BBUs within a distinct environment is necessary for orientational order of the ETM anions. - Graphical abstract: The orientational order of [VOF{sub 5}]{sup 2-} and [NbOF{sub 5}]{sup 2-} polar anions in chains and its influence on noncentrosymmetry are discussed on the basis of the three new hybrid compounds composed of linear chains: (CuVOF{sub 5}(H{sub 2}O){sub 4}(pyz){sub 2}, CuNbOF{sub 5}(H{sub 2}O){sub 4}(pyz){sub 2} and CuVOF{sub 5}(H{sub 2}O){sub 2}(pyz){sub 3}). Orientational order of the distortion of the early transition metal can be achieved by subtle modifications of the anisotropy in the anionic environment and a proper choice of the polar anion. Highlights: Black-Right-Pointing-Pointer Three new hybrid compounds were characterized by single-crystal XRD. Black-Right-Pointing-Pointer [VOF{sub 5}]{sup 2-} and [NbOF{sub 5}]{sup 2-} anions differ in the nucleophilicities of the ligands. Black-Right-Pointing-Pointer The order of the anion is controlled by increasing the anisotropy of its environment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Morphology and orientation of β-BaB{sub 2}O{sub 4} crystals patterned by laser in the inside of samarium barium borate glass

Nonlinear optical β-BaB{sub 2}O{sub 4} crystal lines (β-BBO) were patterned in the inside of 8Sm{sub 2}O{sub 3}–42BaO–50B{sub 2}O{sub 3} glass by irradiations of continuous-wave Yb:YVO{sub 4} lasers with a wavelength of 1080 nm (power: P=0.8–1.0 W, scanning speed: S=0.2–2.5 μm/s), in which the laser focal position was moved gradually from the surface to the inside. The morphology, size, and orientation of β-BBO crystals were examined from polarization optical microscope and birefringence imaging observations. It was demonstrated that c-axis oriented β-BBO crystals with long lengths (e.g., 20 mm) were patterned in the inside of the glass. The morphology of β-BBO in the cross-section of lines was a rectangular shape with rounded corners, and the volume of β-BBO formed increased with increasing laser power and with decreasing laser scanning speed. The maximum depth in the inside from the surface for β-BBO patterning increased with increasing laser power, e.g., D{sub max}∼100 μm at P=0.8 W, D{sub max}∼170 μm at P=0.9 W, and D{sub max}∼200 μm at P=1 W. The present study proposes that the laser-induced crystallization opens a new door for applied engineering in glassy solids. - Graphical abstract: This figure shows the POM photographs for β-BaB{sub 2}O{sub 4} crystal lines patterned by cw Yb:YVO{sub 4} fiber laser irradiations with a laser power of P=0.8 W and a laser scanning speed S=2 μm/s in the glass. The laser focal point was moved gradually from the surface into the inside. The results shown in Fig. 1 demonstrate that it is possible to pattern highly oriented β-BaB{sub 2}O{sub 4} crystals even in the inside of glasses. - Highlights: • β-BaB{sub 2}O{sub 4} crystal lines were patterned in the inside of a glass by lasers. • Laser focal position was moved gradually from the surface to the inside. • Birefringence imaging was observed. • Morphology, size, and orientation of crystals were clarified. • Crystal lines with long lengths (e.g., 20 mm) were patterned at the depth of 200 μm.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effect of oxygen on weld shape and crystallographic orientation of duplex stainless steel weld using advanced A-TIG (AA-TIG) welding method

The double-shielded advanced A-TIG (AA-TIG) welding method was adopted in this study for the welding of the SUS329J4L duplex stainless steel with the shielding gases of different oxygen content levels. The oxygen content in the shielding gas was controlled by altering the oxygen content in the outer layer gas, while the inner layer remained pure argon to suppress oxidation on the tungsten electrode. As a result, a deep weld penetration was obtained due to the dissolution of oxygen into the weld metals. Additionally, the microstructure of the weld metal was changed by the dissolution of oxygen. The austenite phase at the ferrite grain boundary followed a Kurdjumov–Sachs (K–S) orientation relationship with the ferrite matrix phase at any oxide content. On the other hand, the orientation relationship between the intragranular austenite phase and the ferrite matrix phase exhibited different patterns under different oxygen content levels. When there was little oxide in the fusion zone, only a limited part of the intragranular austenite phase and the ferrite matrix phase followed the K–S orientation relationship. With the increase of the oxide, the correspondence of the K–S relationship increased and fit very well in the 2.5% O{sub 2} shielded sample. The investigation of this phenomenon was carried out along with the nucleation mechanisms of the intragranular austenite phases. - Highlights: • Weld penetration increased with the increase of the oxygen content. • Average diameter and number density of oxide were changed by the oxygen content. • K-S relationship of Widmanstätten austenite/ferrite wasn’t varied by oxide. • Orientation relationship of intragranular austenite/ferrite was varied by oxide.

36 MATERIALS SCIENCE↗

Effect of loading orientations on the microstructure and property of Al−Cu single crystal during stress aging

The precipitation behavior and property of Al−Cu alloy during stress aging under various loading orientations were investigated using single crystals. The resulting microstructures and the strength property were examined by transmission electron microscope (TEM) and compression test, respectively, and the effect of the distribution of θ′-plates on strength property were discussed. The results show that the precipitation distribution of θ′ was significantly affected by the loading orientation during stress aging of Al−Cu single crystals. Loading along close to 〈011〉{sub Al} directions provided more uniform precipitation distribution of θ′ as compared to loading along close to 〈001〉{sub Al} directions, and therefore provided higher strengthening stress of the θ′-plates for the stress aging sample. The results suggested that regulating the distribution of θ′ and therefore improving strength property are possible via controlling the loading orientation during stress aging. - Highlights: • We studied the effect of loading directions on stress aging of Al−Cu single crystal. • Precipitation distribution of θ′ was noticeably affected by the loading direction. • Loading along close to 〈011〉{sub Al} directions reduced the stress-orienting effect. • The strength property is closely related to the precipitation distribution of θ′. • It is possible to regulate the distribution of θ′ and improve strength property.

36 MATERIALS SCIENCE↗

Orientation matters: Measuring the correct surface of polyamide membranes with quartz crystal microbalance

The surface of polyamide reverse osmosis (RO) membranes which regulates interface-dominated phenomena, such as partitioning and fouling, is the one facing the feed during operation. However, the opposite surface of the polyamide selective layer, the one facing the permeate and in contact with the polysulfone porous support, is commonly analyzed in quartz crystal microbalance (QCM) measurements due to limitations of state-of-the-art transfer methodologies. Such measurements on the back surface cannot be generalized because the polyamide layer is chemically and morphologically asymmetric. Herein, we introduce a simple method to coat QCM sensors with polyamide active layers in the correct orientation (i.e., exposing their front surface) and show that interface-dominated phenomena differ significantly between orientations. We start by describing a transfer protocol to coat any surface with a polyamide layer on its front surface orientation. We then systematically analyze the chemical and morphological differences between the two surfaces of the polyamide layer of a commercial RO membrane. Finally, we demonstrate that interface-dominated phenomena depend on the orientation by showing that NaCl partitioning at pH 6 was 1.3 to 2.3-fold higher on the front surface and that organic fouling with humic acid occurred at a lower rate on this surface. The new method presented herein enables measurements on the front surface of polyamide RO membranes, which should be the standard in any future QCM studies.

Fouling behavior↗

Spatially Resolved Mapping of Three-Dimensional Molecular Orientations with ~2 nm Spatial Resolution through Tip-Enhanced Raman Scattering

We record local optical field images of silver nanocubes (75 nm) using tip-enhanced Raman (TER) spectral imaging. The images that we observe are consistent with several recent reports from our group, but here, we demonstrate sub-2 nm spatial resolution in local optical field nanoimaging under ambient laboratory conditions. This is achieved by scanning the substrate (nanocube on Si) relative to a 4-thiobenzonitrile (TBN)-functionalized Ag-coated TER probe. The spatial resolution that we obtain necessitates that only a few molecules govern the recorded optical response; molecular orientation becomes an important consideration in such measurements. We model the orientation through geometry optimization of a TBN molecule chemisorbed onto an Ag79 cluster (sphere with a ~1 nm diameter). Using the computed orientation of the cluster-bound molecule, we then model the optical response using formalism that accounts for the orientation of the molecule relative to vector components of the local optical fields. We find optimal agreement between experiment and theory. In effect, this work reveals the parallels between single-molecule Raman scattering and high-spatial-resolution TER spectroscopy, even when the images themselves cannot be used to visualize a single molecule in real space.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Using Grazing-Incidence Small-Angle Neutron Scattering to Study the Orientation of Block Copolymer Morphologies in Thin Films

Here, we used grazing-incidence small-angle neutron scattering (GISANS) to probe the depth-dependent orientation of self-assembled morphologies of block copolymers. A hydrophobic–hydrophobic block copolymer, poly(solketal methacrylate)-block-polystyrene (PSM-b-PS), was synthesized and spin-coated into films tens of nanometers in thickness where the polymers adopted a disordered state. PSM-b-PS was then hydrolyzed by exposing the polymer thin film to trifluoroacetic acid vapor or embedding a photoacid generator in the film during spin coating, followed by exposure to UV light. The hydrolysis converted the block copolymer into a hydrophilic–hydrophobic block copolymer, poly(glycerol monomethacrylate)-block-polystyrene (PGM-b-PS), significantly increasing the segmental interaction parameter (χ) and causing microphase separation of the copolymers. GISANS was used to study the depth-dependent structure of the films and revealed that the orientation of the microphase-separated structure differed at the polymer–air and polymer–substrate interfaces. In the regions where the lamellae were parallel to the interfaces, the orientation propagated into the film from the interfaces. However, in the areas where the lamellae were perpendicular to the interfaces, the orientation did not persist with increasing distance from the interfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

CdSe Nanoplatelet Films with Controlled Orientation of their Transition Dipole Moment

With liquid–liquid interfacial assembly, we control the deposition of CdSe nanoplatelets into face-down or edge-up configurations. Controlled assembly, combined with back focal plane imaging, enabled unambiguous determination of the transition dipole orientation. The transition dipole moment of the emissive band-edge exciton in CdSe nanoplatelets was found to be isotropically oriented within the plane of the nanoplatelet with no measurable out-of-plane component and no preference for the long- or short-axis of the nanoplatelet. Importantly, CdSe nanoplatelet films in the face-down configuration exhibited unity dipole orientation within the plane of the film, which could improve the external efficiency of nanoplatelet LEDs, lasers, photodetectors, and photovoltaic cells beyond that which is possible with isotropic emitters. We also show that the two self-assembled configurations have different Förster energy transfer rates, as an effect of different dipole orientation and internanoplatelet distance.

2D materials↗

Correlating Crystallographic Orientation and Ferroic Properties of Twin Domains in Metal Halide Perovskites

Metal halide perovskite (MHP) solar cells have attracted worldwide research interest. Although it has been well established that grain, grain boundary, and grain facet affect MHPs optoelectronic properties, less is known about subgrain structures. Recently, MHP twin stripes, a subgrain feature, have stimulated extensive discussion due to the potential for both beneficial and detrimental effects of ferroelectricity on optoelectronic properties. Furthermore, connecting the ferroic behavior of twin stripes in MHPs with crystal orientation will be a vital step to understand the ferroic nature and the effects of twin stripes. In this work, we studied the crystallographic orientation and ferroic properties of CH 3 NH 3 PbI 3 twin stripes, using electron backscatter diffraction (EBSD) and advanced piezoresponse force microscopy (PFM), respectively. Using EBSD, we discovered that the orientation relationship across the twin walls in CH 3 NH 3 PbI 3 is a 90° rotation about ($\bar{11}0$), with the (030) and (111) directions parallel to the direction normal to the surface. By careful inspection of CH 3 NH 3 PbI 3 PFM results including in-plane and out-of-plane PFM measurements, we demonstrate some nonferroelectric contributions to the PFM responses of this CH 3 NH 3 PbI 3 sample, suggesting that the PFM signal in this CH 3 NH 3 PbI 3 sample is affected by nonferroelectric and nonpiezoelectric forces. If there is piezoelectric response, it is below the detection sensitivity of our interferometric displacement sensor PFM (<0.615 pm/V). Overall, this work offers an integrated picture describing the crystallographic orientations and the origin of PFM signal of MHPs twin stripes, which is critical to understanding the ferroicity in MHPs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ultrafast electron transfer at organic semiconductor interfaces: Importance of molecular orientation

Much is known about the rate of photoexcited charge generation in at organic donor/acceptor (D/A) heterojunctions overaged over all relative arrangements. However, there has been very little experimental work investigating how the photoexcited electron transfer (ET) rate depends on the precise relative molecular orientation between D and A in thin solid films. This is the question that we address in this work. We find that the ET rate depends strongly on the relative molecular arrangement: The interface where the model donor compound copper phthalocyanine is oriented face-on with respect to the fullerene C 60 acceptor yields a rate that is approximately 4 times faster than that of the edge-on oriented interface. Our results suggest that the D/A electronic coupling is significantly enhanced in the face-on case, which agrees well with theoretical predictions, underscoring the importance of controlling the relative interfacial molecular orientation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Preferred crystallographic orientation of cellulose in plant primary cell walls

Abstract Cellulose, the most abundant biopolymer on earth, is a versatile, energy rich material found in the cell walls of plants, bacteria, algae, and tunicates. It is well established that cellulose is crystalline, although the orientational order of cellulose crystallites normal to the plane of the cell wall has not been characterized. A preferred orientational alignment of cellulose crystals could be an important determinant of the mechanical properties of the cell wall and of cellulose-cellulose and cellulose-matrix interactions. Here, the crystalline structures of cellulose in primary cell walls of onion ( Allium cepa ), the model eudicot Arabidopsis ( Arabidopsis thaliana ), and moss ( Physcomitrella patens ) were examined through grazing incidence wide angle X-ray scattering (GIWAXS). We find that GIWAXS can decouple diffraction from cellulose and epicuticular wax crystals in cell walls. Pole figures constructed from a combination of GIWAXS and X-ray rocking scans reveal that cellulose crystals have a preferred crystallographic orientation with the (200) and (110)/( $$1\bar 10$$ 1 1 ¯ 0 ) planes preferentially stacked parallel to the cell wall. This orientational ordering of cellulose crystals, termed texturing in materials science, represents a previously unreported measure of cellulose organization and contradicts the predominant hypothesis of twisting of microfibrils in plant primary cell walls.

36 MATERIALS SCIENCE↗