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In this paper we present the effective strategy of Fe3+ and Li+ co-doping to enhance the electrostrain of ZnO thin films. Zn0.88(Fe0.06Li0.06)O thin film exhibits an excellent d33* value of 415 pm/V and large linear electrostrain of 0.68% after thermal-electric treatment. Both the X-ray diffraction and first principle calculation results have indicated that the Fe3+ and Li+ ions are inclined to adopt a preferential alignment along the edges approximately parallel to [001] direction in the zinc-oxygen tetrahedron and constitute a defect dipole (ionic pairs). It is considered that the local lattice distortion and the electric field-triggered polarization extension and rotation generated by preferential distributed Fe3+-Li+ionic pairs are responsible for the outstanding piezoelectric properties and large linear electrostrain.

Hydrophobic deep eutectic solvents (DESs) have recently gained much attention as water-immiscible solvents for a wide range of applications. However, very few studies exist in which the hydrophobicity of these DESs is quantified. In this work, the interfacial properties of hydrophobic DESs with water were computed at various temperatures using molecular dynamics simulations. The considered DESs were tetrabutylammonium chloride-decanoic acid (TBAC-dec) with a molar ratio of 1:2, thymol-decanoic acid (Thy-dec) with a molar ratio of 1:2, and dl-menthol-decanoic acid (Men-dec) with a molar ratio of 2:1. The following properties were investigated in detail: interfacial tensions, water-in-DES solubilities (and salt-in-water solubilities for TBAC-dec/water), density profiles, and the number densities of hydrogen bonds. Different ionic charge scaling factors were used for TBAC-dec. Thy-dec and Men-dec showed a high level of hydrophobicity with negligible computed water-in-DES solubilities. For charge scaling factors of 0.7 and 1 for the thymol and decanoic acid components of Thy-dec, the computed interfacial tensions of the DESs are in the following order: TBAC-dec (ca. 4 mN m-1) < Thy-dec (20 mN m-1) < Men-dec (26 mN m-1). The two sets of charge scaling factors for Thy-dec did not lead to different density profiles but resulted in considerable differences in the DES/water interfacial tensions due to different numbers of decanoic acid-water hydrogen bonds at the interfaces. Large peaks were observed for the density profiles of (the hydroxyl oxygen of) decanoic acid at the interfaces of all DES/water mixtures, indicating a preferential alignment of the oxygen atoms of decanoic acid toward the aqueous phase.

Selective deposition and preferential alignment of two-dimensional (2D) nanoparticles on complex and flexible three-dimensional (3D) substrates can tune material properties and enrich structural versatility for broad applications in wearable health monitoring, soft robotics, and human-machine interfaces. However, achieving precise and scalable control of the morphology of layer-structured nanomaterials is challenging, especially constructing hierarchical architectures consistent from nanoscale alignment to microscale patterning to complex macroscale landscapes. This work demonstrated a scalable and straightforward hybrid 3D printing method for orientational alignment and positional patterning of 2D MXene nanoparticles. This process involved (i) surface topology design via microcontinuous liquid interface production (μCLIP) and (ii) directed assembly of MXene flakes via capillarity-driven direct ink writing (DIW). With well-managed surface patterning geometry and printing ink quality control, the surface microchannels constrained MXene suspensions and leveraged microforces to facilitate preferential alignment of MXene sheets via layer-by-layer additive depositions. The printed devices displayed multifunctional properties, i.e., anisotropic conductivity and piezoresistive sensing with a wide sensing range, high sensitivity, fast response time, and mechanical durability. Our fabrication technique shows enormous potential for rapid, digital, scalable, and low-cost manufacturing of hierarchical structures, especially for micropatterning and aligning 2D nanoparticles not easily accessible through conventional processing methods.

Two-dimensional (2D) hybrid organic-inorganic perovskites consisting of alternating organic and inorganic layers are a new class of layered structures. They have attracted increasing interest for photovoltaic, optoelectronic, and thermoelectric applications, where knowing their thermal transport properties is critical. We carry out both experimental and computational studies on thermal transport properties of 2D butylammonium lead iodide crystals and find their thermal conductivity is ultralow (below 0.3 W m-1 K-1) with very weak anisotropy (around 1.5) among layered crystals. Further analysis reveals that the unique structure with the preferential alignment of organic chains and complicated energy landscape leads to moderately smaller phonon lifetimes in the out-of-plane direction and comparable phonon group velocities in in-plane and out-of-plane directions. These new findings may guide the future design of novel hybrid materials with desired thermal conductivity for various applications.

Surface functionalization of diamonds is an important topic for the negatively charged nitrogen-vacancy (NV−) center based quantum sensors. We investigate the electronic properties of oxidized diamond (111) surfaces and their effects on the NV− centers using the density of functional theory. The results show that the epoxy oxidized diamond (111) surface has neither surface spin noises nor inter-bandgap states and also has a positive electron affinity (1.85 eV) with nearly 99% preferential alignment of nitrogen-vacancy, indicating the epoxy oxidized (111) surface could be a perfect host of the NV− centers. Additionally, we make further examinations by placing an NV− center ∼1 nm from the epoxy oxidized (111) surface. The results indicate that the epoxy oxidized (111) surface has no obvious effects on the defect levels and optical transitions of the single NV− center. To the best our knowledge, the epoxy oxidized (111)-(2 × 1) surface may be the first diamond surface that not only theoretically satisfies the electronic requirements of shallow NV− centers but can also be fabricated through the oxidization process. Therefore, the epoxy oxidized diamond (111)-(2 × 1) surface is the most promising candidate to be applied in NV-based quantum sensors.

The effects of heat release on interactions between vorticity (ω) and strain rate (s) in turbulent premixed CH4/O2/N2 counterflow flames are investigated using simultaneous OH laser-induced fluorescence (LIF) and tomographic particle image velocimetry (TPIV) measurements. A comparison between the flames and a corresponding turbulent non-reacting variable density N2-vs-products counterflow reveals the impact of heat release on vorticity-strain rate alignment statistics. Vorticity and strain rate statistics in the flames and non-reacting flow are conditioned on distance from the local flame front and gas mixing layer interface (GMLI) contours, respectively. The magnitude, alignment, and spatial distribution of the vorticity and principal strain rates (s1, s2, s3) are rather different when heat release is present. Density variations without heat release enhance the ω-s2 alignment while significantly reducing the ω-s3 alignment and modestly reducing the ω-s1 alignment. In contrast, heat release at the flame front further reduces the ω-s1 alignment but increases the ω-s3 alignment and suppresses the preferential ω-s2 alignment. Furthermore, increasing turbulence diminishes the effect of heat release on this preferential alignment. In regions with the largest vorticities, both the reacting and non-reacting counterflows show an increase in the probability of ω-s2 alignment. All counterflow cases have a net positive vortex-stretching contribution to the enstrophy production with a peak production rate at the flame front or GMLI, but the peak values depend on the density variation, heat release, and turbulence level. Elucidation of the complex interplay between these factors contributes to the understanding of the dynamics of turbulence-flame interactions.

The usefulness of nitrogen vacancy (NV) centers in diamond is augmented by a low defect and impurity density in the surrounding host material, and applications benefit from the ability to control the position of the NV centers. Herein, a process to create NV centers on single-crystalline diamond microstructures by chemical vapor deposition (CVD) is presented. Pyramidal structures with {111} side facets are formed during the intrinsic overgrowth of dry chemically etched cylindrical pillars on a substrate with {100} surface orientation. A thin nitrogen-doped epitaxial layer is deposited on top of the pyramids resulting in the creation of NV centers exclusively on the {111} pyramid side faces. Optically detected magnetic resonance (ODMR) and spin echo measurements reveal preferential alignment of the NV centers in a single {111} direction and a 𝑇2 time of 55 ms . The 𝑇2 time of the NV centers is limited by the surrounding substitutional nitrogen (P1 center) concentration of [P1] = 5 ppm . A low density of other paramagnetic spin noise is detected by double-electron electron resonance (DEER) measurements.

Fibrillar collagen is a ubiquitous structural protein that plays a significant role in determining the mechanical properties of various tissues. The constituent collagen architecture can give direct insight into the respective functional role of the tissue due to the strong structure-function relationship that is exhibited. In such tissues, matrix structure can vary across local subregions contributing to mechanical heterogeneity which can be implicated in tissue function or failure. The post-myocardial infarction scar environment is an example of note where mechanically insufficient collagen can result in impaired cardiac function and possibly tissue rupture due to post-MI cellular response and matrix interactions. In order to further develop the understanding of cell-matrix interactions within heterogeneous environments, we developed a method of heterogeneous collagen gel fabrication which produces a region of randomly oriented fibers directly adjacent to an interconnected region of anisotropic alignment. To fully capture and evaluate the degree of alignment and spatial orientation heterogeneity, several image processing and automated analysis methods were employed. Our analysis revealed the successful fabrication of an interconnected spatially heterogeneous collagen gel possessing distinct regions of random or preferential alignment. Additionally, embedded cell populations were observed to recognize and reorient with their underlying and surrounding architectures through our cell-centric analysis techniques. Statement of significance Fibrillar collagen is a structural protein that contributes to the architecture-function relationship exhibited by various tissues where mechanically insufficient collagen architecture can lead to tissue failure. One environment where this can occur is the post-myocardial infarction scar environment where too much or too little collagen accumulation coupled with spatial fiber orientation heterogeneity can lead to environments incapable of normal mechanical functionality. While there are methodologies capable of generating aligned constructs, they do so with varying degrees of control and complexity with many producing uniform construct alignment. The presented platform is simple and produces continuous constructs possessing inherent spatial orientation heterogeneity. Coupling this with image processing and automated analysis methods enables the probing of fundamental cell-matrix interactions within heterogeneous environments.

The success of nematic liquid crystals in displays and optical applications is due to the combination of their optical uniaxiality, fluidity, elasticity, responsiveness to electric fields and controllable coupling of the molecular orientation at the interface with solid surfaces. The discovery of a polar nematic phase opens new possibilities for liquid crystal-based applications, but also requires a new study of how this phase couples with surfaces. Here we explore the surface alignment of the ferroelectric nematic phase by testing different rubbed and unrubbed substrates that differ in coupling strength and anchoring orientation and find a variety of behaviors – in terms of nematic orientation, topological defects and electric field response – that are specific to the ferroelectric nematic phase and can be understood as a consequence of the polar symmetry breaking. In particular, we show that by using rubbed polymer surfaces it is easy to produce cells with a planar polar preferential alignment and that cell electrostatics (e.g. grounding the electrodes) has a remarkable effect on the overall homogeneity of the ferroelectric ordering.

We develop a phase-field model, integrating both micromagnetic and microelastic approaches. The model can capture the impact of eigen strain, applied stress and elastic inhomogeneity on the microstructure evolution in presence of an externally applied magnetic field. We use the model to simulate bicontinuous microstructure evolution during spinodal decomposition, with co-existing paramagnetic and ferromagnetic phases. The simulations confirm that the ferromagnetic phase tends to align itself in the direction of the applied magnetic field. Depending on elastic inhomogeneity, we also observe preferential alignment parallel or perpendicular to the applied stress. When these two fields are applied together, the alignment of the phases can precisely be controlled by changing strength and direction of either of the two.

Direct imaging of single molecules has to date been primarily achieved using scanning probe microscopy, with limited success using transmission electron microscopy due to electron beam damage and low contrast from the light elements that make up the majority of molecules. Here, we show single complex molecule interactions can be imaged using annular dark field scanning TEM (ADF-STEM) by inserting heavy metal markers of Pt atoms and detecting their positions. Using the high angle ADF-STEM Z1.7 contrast, combined with graphene as an electron transparent support, we track the 2D monolayer self-assembly of solution-deposited individual linear porphyrin hexamer (Pt-L6) molecules and reveal preferential alignment along the graphene zigzag direction. The epitaxial interactions between graphene and Pt-L6 drive a reduction in the interporphyrin distance to allow perfect commensuration with the graphene. These results demonstrate how single metal atom markers in complex molecules can be used to study large scale packing and chain bending at the single molecule level.

Equal channel angular pressing (ECAP) was introduced firstly to prepare Ag/Ti3AlC2 electrical contact materials. Ag/10 wt% Ti3AlC2 composite with a relative density of 99.8% and refined microstructure was prepared by ECAP at a relatively low temperature of 200 °C under 37 MPa. The Ti3AlC2 particles were delaminated and preferentially aligned in Ag matrix after ECAP. The preferential alignment of Ti3AlC2 resulted in the anisotropy in electrical and compressive properties and arc erosion resistance of the composite. The properties of the as-sintered compact and ECAPed sample were tested. The Vickers hardness of the ECAPed sample was about 1.5 times that of the as-sintered compact. The lowest resistivity reached 59.3 × 10−9 Ω m in the ECAPed sample parallel to the alignment. The maximum compressive strength and strain were found to be 805 ± 18.6 MPa and 43.8 ± 2.2% in the ECAPed sample loaded perpendicular to the Ti3AlC2 alignment. The ECAPed sample with working face parallel to the Ti3AlC2 alignment showed the best arc erosion resistance. The mechanisms responsible for the anisotropic microstructure and properties were proposed and discussed.

Long term success of metallic fusion cages depends on mechanobiological processes through the bone incorporation and rich osseointegration. An optimal configuration of porous titanium-aluminum-vanadium (Ti 6Al 4V) implant fabricated via the additive manufacturing was evaluated in complimentary structure examinations to investigate the growth of autologous osseous at multi-length scales. X-ray microcomputed tomography (micro-CT) and transmission X-ray microscopy (TXM) using newly-built analysis method indicate the porous Ti 6Al 4V is much better for bone ingrowth compared to commercially non-porous titanium (Ti) and porous tantalum (Ta) implants at the ultramicrostructural level. The evolution of bone formation and remodeling acquired by nano X-ray Laue diffraction mapping exhibits the isotropic orientation and low crystallinity of all newly formed bone whereas mature bone in Ti 6Al 4V discloses the preferential alignment and higher crystallinity volumes of constituent hydroxyapatite (HA) crystallites. The high degree in mineral crystallinity of the fully mature bone suggests additive manufactured Ti 6Al 4V pores enhance the collagen-regulated mineralization.

The impact of combustion heat release and bulk compressive strain on local alignment between the flame front normal and strain rate eigenvectors (principal strain rates) are investigated using simultaneous laser-induced fluorescence imaging of OH and tomographic particle image velocimetry in turbulent premixed CH4/O2/N2 counterflow flames with Karlovitz numbers (Ka) of 1.3 and 2.7. The bulk strain rate imposed by the counterflow introduces a preferential alignment of the most compressive principal strain rate, s3, with the flame normal, n. Dilatation induced by heat release acts as a competing mechanism that promotes the alignment of the most extensive principal strain rate, s1, with n. In the counterflow flames, the preferential s3-n alignment prevails and remains dominant across the entire flame. This alignment stands in stark contrast to observations from previous studies in turbulent Bunsen flames or flames in isotropic turbulence, indicating the significance of bulk strain rate in determining local strain-flame alignment. The effects of increasing turbulence intensity on strain rate-flame front alignment are twofold; on the one hand, turbulence diminishes the s3-n preferential alignment that is associated with the bulk strain field by increasing flame surface wrinkling and reducing the tendency of the flame front normal and s3-eigenvectors to align with the axis of the counterflow. On the other hand, turbulence reduces the impact of heat release and enhances preferential s3-n alignment approximately 1 mm ahead of the flame front, reflecting the characteristic alignment of compressive strain and scalar gradients in turbulent non-reacting flows. The effects of bulk strain are also observed in strain rate alignment statistics based on the fluctuating velocity fields, although the impact is less pronounced than for the statistics based on the full velocity fields. As a result of this complex interplay between heat release, turbulence, and bulk strain rate, the flame-tangential strain rate is on average extensive, and the flame-normal strain rate is dominantly compressive except for an approximately 0.8 mm wide region near the flame front where it is extensive due to dilatation. The compressive bulk strain in the counterflow was also shown to compress the length scales over which the strain rate and its alignment are affected by flame heat release. The present finding is important for developing turbulent flame models to accommodate the effect of bulk strain rate that is inherently associated with practical burner geometries, and the length scale dependence of the bulk strain effect could be a consideration for determining the cutoff scale in the context of large-eddy simulations.

Hexagonal boron nitride (h-BN), an insulating two-dimensional (2D) layered material, has attracted increasing interest due to its electrical screening effect, high-temperature-resistant gas barrier properties, and other unique applications. However, the presence of grain boundaries (GBs) in h-BN is a hindrance to obtain these properties. Here, we demonstrate the epitaxial growth of monolayer h-BN by chemical vapor deposition (CVD) on Ni(111) thin films deposited on c-plane sapphire. The Ni(111) films showed higher thermal stability than Cu(111) and Cu-Ni(111) alloy films, allowing us to perform CVD growth at a high temperature of 1100 °C. This resulted in an increase of the h-BN grain sizes to up to 0.5 millimeter, among the highest reported so far, and in a well-defined triangular grain shape. Low-energy electron microscopy (LEEM) revealed the epitaxial relationship between h-BN and the underlying Ni(111) lattice, leading to a preferential alignment of the h-BN grains. Both the large grain size and the alignment are expected to facilitate the synthesis of h-BN with a low density of GBs. We also found that the addition of N2 gas during the CVD improves the crystalline shape of the h-BN grains, changing from an irregular, truncated to a sharp triangle. The growth behavior of monolayer h-BN is further discussed in terms of the dependences on growth temperature and pressure, as well as on the structural evolution of the Ni metal catalyst. Our findings not only help understand the h-BN growth mechanism but also offer a new route to grow high-quality, monolayer h-BN films.

We present simultaneous three-dimensional measurements of deformable finite-sized bubbles and surrounding turbulent flows. The orientations of bubbles are linked to two key mechanisms that drive bubble deformation: the turbulent strain rate and slip velocity between the two phases. The strongest preferential alignment is between the bubbles and slip velocity, indicating the latter plays a dominant role. We also compared our experimental results with the deformation of ideal material elements with no slip velocity or surface tension. Without these, material elements show highly different orientations, further confirming the importance of the slip velocity in the bubble orientation. In addition to deformation, when bubbles begin to break, their relative orientations change significantly. Although the alignment of the severely deformed bubbles with the eigenvectors of the turbulent strain rate becomes much stronger, the bubble semi-major axis becomes aligned with (rather than perpendicular to) the slip velocity through an almost turn. This puzzling orientation change occurs because the slip velocity contains the contributions from both the bubble and the background flow. As the bubble experiences strong deformation, the rapid elongation of its semi-major axis leads to a large bubble velocity, which dominates the slip velocity and forces its alignment with the bubble's semi-major axis. The slip velocity thereby switches from a driving mechanism to a driven result as bubbles approach breakup. The results highlight the complex coupling between the bubble orientation and the surrounding flow, which should be included when modelling the bubble deformation and breakup in turbulence.

Preferential orientations of inertialess nonspherical particles are examined through three qualitatively different stages of a time-evolving Taylor–Green vortex flow. Despite an unexpected decorrelation between the vorticity vector and the direction of Lagrangian stretching, experienced by material fluid elements over a substantial time interval, prolate spheroids aligned with the Lagrangian stretching direction, whereas oblate spheroids aligned with the Lagrangian compression direction. We, therefore, infer that spheroidal tracers orient themselves relative to the Lagrangian history of the velocity gradients, defined by the left Cauchy–Green deformation tensor, rather than with the fluid vorticity vector. This preferential alignment persists all throughout the statistically unsteady flow field and even in the inviscid and nonturbulent early stage of the time-dependent vortex flow. This explains the observed preferential spinning of rods and tumbling of disks, similar to that in homogeneous isotropic turbulence, even at the early stage when the flow is anisotropic and laminar. These preferred modes of particle rotation prevail all through the evolving flow despite a surprisingly long time interval, during which the fluid vorticity decorrelates from the direction of Lagrangian stretching. This is the authors’ accepted and refereed manuscript to the article. This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. The following article appeared in Physics of Fluids and may be found at https://doi.org/10.1063/5.0041290

The orientational behavior of a smectic-A liquid crystal (4-cyano-4'-octylbiphenyl, 8CB) confined between mica surfaces as well as between silica surfaces with a nanometer scale thickness was investigated by synchrotron X-ray diffraction measurement. The crystallographic axes of two confining mica sheets were adjusted parallel to each other to induce the preferential orientation of 8CB molecules along their crystallographic axis. The silica surfaces, which were hydrophilic and amorphous and had nanometer level smoothness, were prepared on mica surfaces using a sputtering technique. The X-ray diffraction measurement revealed that the 8CB molecules, confined between mica surfaces (DHW = 1.7 nm) and between silica surfaces (DHW = ca. 2 nm), took a planar orientation (oriented its long axis parallel to the surface) and formed a lamellar structure. However, the in-plane orientation of the confined 8CB changed depending on the confining surfaces. The lamellar axis of the 8CB confined between mica surfaces uniaxially oriented most probably due to the preferential alignment of its long axis along the principal crystallographic a-axis of the mica. On the other hand, 8CB between the silica surfaces formed lamellar domains in which the lamellar axis of 8CB omnidirectionally oriented in-plane. The effect of the shear on the orientation of the nano-confined 8CB was also investigated. The lamellar axis, corresponding to the long axis of the 8CB molecules confined between the mica surfaces, rotated only ca. 3 degrees within the plane parallel to the surface by perpendicularly applying shear to the axis. The lamellar axis of the 8CB molecules between the silica surfaces showed no noticeable change by applying the shear. These results indicated that the effect of shear to align the 8CB molecules was significantly suppressed due to the confinement effect which significantly reduces the mobility of molecules as well as the alignment effect along the crystallographic axis in the case of mica. We also observed a change in the orientation of nano-confined 8CB after shear treatment at large D (= 3.3 μm).

Nakajima K., Matsunaga S., Morioka T., et al. Effects of unloading by tail suspension on biological apatite crystallite alignment in mouse femur. Dental Materials Journal 39, 670 (2020); https://doi.org/10.4012/dmj.2019-187., The aim of this study was clarify the effects of reducing various functional pressures essential for the maintenance of bone homeostasis. Femoral bone mineral density (BMD) and biological apatite (BAp) crystallite alignment were measured in conventionally reared and hindlimb-unloaded mice. The femur was divided into 10 equal segments perpendicular to the longitudinal axis of the bone and measurements were performed on the cortical bone in the five segments closest to the midpoint of the femur. Significantly lower BMD and BAp alignment in the longitudinal (Z-axis) direction were observed in the hindlimb-unloaded group. The present findings suggest that unloading by tail suspension significantly decreases not only mouse femoral bone mass but also BAp crystallite alignment, although minimal uniaxial preferential alignment is retained.

The formation of strong textures with a preferential alignment of the basal planes in the sheet plane was an important disadvantage for the formability of magnesium alloy sheets. Rare earth or calcium-alloying concepts allow significant texture changes during rolling, resulting in weaker textures, and thus improved the formability. Such a texture development has also been associated with retarded recrystallization. However, this retardation affects the formability during sheet forming operations at elevated temperature. The wrought alloy AZ31 and its Ca-modified counterpart AZX310 are used for Nakajima forming tests at different temperatures. The influence of recrystallization on the sheet formability is demonstrated along different strain paths including local microstructure analysis. The weaker texture due to the addition of Ca allows maintaining the improved formability, which is counteracted by retarded recrystallization.

Effect of interface oxidation on magnetic properties of Co films in Si/Co/Co-oxide/CoWedge/Pt system has been studied, where one of the Co layer is deposited in the form of wedge (increasing thickness). Magneto-optic Kerr effect (MOKE) along the wedge length reveals that oxidized interface influence the magnetic properties of Co layer significantly in terms of preferential alignment of the interface spins. It is found that the magnetic remanence (Mr) and coercivity (Hc) significantly influence by the interface oxidation, which is explained in terms of hybridization between Co and O orbitals together with bonds alignment at the interface. Temperature dependent significant decrease in magnetization of the sample is attributed to the inter-diffusion at Si/Co, Co/Co-oxide, and Co-oxide/Pt interface.

Nitrogen-vacancy (NV) center ensemble in synthetic diamond is a promising and emerging platform for quantum sensing technologies. Realization of such a solid-state based quantum sensor is widely studied and requires reproducible manufacturing of NV centers with controlled spin properties, including the spin bath environment within the diamond crystal. Here, a non-invasive method is reported to benchmark NV ensembles regarding their suitability as ultra-sensitive magnetic field sensors. Imaging and electron spin resonance techniques are presented to determine operating figures and precisely define the optimal material for NV-driven diamond engineering. The functionality of the methods is manifested on examples of chemical vapor deposition synthesized diamond layers containing preferentially aligned, isotopically controlled 15NV center ensembles. Quantification of the limiting 15N P1 spin bath, in an otherwise 12C enriched environment, and the reduction of its influence by applying dynamical decoupling protocols, complete the suggested set of criteria for the analysis of NV ensemble with potential use as magnetometers., publishedVersion

The importance of considering bone quality during oral implant treatment is increasingly being recognized. Assessment of bone quality in response to changes in the jaw bone is extremely important when planning treatment. The present study analyzed biological apatite (BAp) crystallites, a bone quality factor, in order to investigate crystallographic anisotropy in dentate and edentulous human mandibles. Using mandibular samples from Japanese adult cadavers, a region of interest was established comprising cortical bone in the central incisors. Samples were classified into five morphological categories based on the extent of bone resorption. Bone mineral density (BMD) was measured and diffraction intensity ratios were calculated using a microbeam X-ray diffraction system. While no differences were observed in BMD, differences were observed in BAp crystallite alignment between the measurement points. In the alveolar region, samples with residual alveolar bone showed strong alignment in the occlusal direction, while samples with marked alveolar bone resorption had preferential alignment in the mesiodistal direction. The present findings suggest that tooth loss and the extent of alveolar bone resorption affects bone quality in the mandible. © 2018 Wiley Periodicals, Inc. J. Biomed. Mater. Res. Part B: 2018. © 2018 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater 107B: 838-846, 2019.

Understanding the morphology of organic materials within optoelectronic thin film devices is of crucial importance for the development of state-of-the-art organic light emitting diodes (OLEDs). In this context, the preferential alignment of organometallic Ir complexes has been in the focus of research to benefit from the improved light-outcoupling efficiencies. Although the emissive dipole orientation has been identified from an optical point of view and molecular dynamic simulations give first insights into film morphologies, new experimental techniques are necessary to pinpoint the exact alignment of phosphorescent dye molecules. In this work, optical characterization of luminescent thin films was combined with electrical measurements on bilayer devices to elucidate the orientation distribution of both, electrical and optical dipole moments of phosphorescent guest-host systems. The results not only confirm previous suggestions for the alignment mechanism of organometallic dyes but also disclose a direct correlation between the degree of electrical and optical dipole alignment, thus opening a roadway for achieving higher light-outcoupling efficiency in OLEDs.

Black Phosphorus (BP) is an excellent material from the post graphene era due to its layer dependent band gap, high mobility and high Ion/Ioff. However, its poor stability in ambient poses a great challenge for its practical and long-term usage. The optical visualization of the oxidized BP is the key and the foremost step for its successful passivation from the ambience. Here, we have conducted a systematic study of the oxidation of the BP and developed a technique to optically identify the oxidation of the BP using Liquid Crystal (LC). It is interesting to note that we found that the rapid oxidation of the thin layers of the BP makes them disappear and can be envisaged by using the alignment of the LC. The molecular dynamics simulations also proved the preferential alignment of the LC on the oxidized BP. We believe that this simple technique will be effective in passivation efforts of the BP, and will enable it for exploitation of its properties in the field of electronics.

The aim was to investigate the osseointegration of a novel coating—plasma-sprayed nanostructured zirconia (NSZ)—for dental implants. Nanostructured zirconia coating on non-thread titanium implant was prepared by plasma spraying, and the implant surface morphology, surface roughness, and wettability were measured. In vivo, nanostructured zirconia-coated implants were inserted in rabbit tibia, and the animals were sacrificed at 2, 4, 8, and 12 weeks after implantation. The bond strength between implant and bone was measured with the removal torque (RTQ) test. Osseointegration was observed by scanning electron microscopy (SEM), microcomputerized tomography (micro CT), and histological analyses. Quantified parameters were calculated, including removal torque, bone volume to tissue volume (BV/TV), trabecular thickness (Tb.Th), trabecular number (Tb.N), trabecular separation/spacing (Tb.Sp), and bone-implant contact (BIC) percentage. The statistical differences were detected with a two-tail Mann-Whitney U test (SPSS 20.0). The surface roughness (1.58 μm) and wettability (54.61°) of a nanostructured zirconia-coated implant was more suitable than the titanium implant (0.598 μm, 74.38°) for osseointegration and hierarchical surface morphology seen on the zirconia coating. The histological analyses showed that a zirconia-coated implant induced earlier and had more condensed bone formation than did the titanium implant at 2 and 4 weeks. Quantified parameters showed the significant differences between these 2 groups at an early healing period, but the differences between the 2 groups decreased with an increased healing period. All these results demonstrated that plasma-sprayed zirconia coated implants induced better bone formation than did titanium implants at an early stage.

Hexagonal boron nitride (h-BN) was grown by borazine vapour deposition on single crystalline Cu (110) substrates at 740 °C. The growth was investigated in situ using a Low-Energy Electron Microscope (LEEM). Substrates were prepared ex situ by mechanical and electrochemical methods and once in the LEEM system, by annealing in a H2 atmosphere resulting in a reconstructed surface. Exposure to borazine vapour resulted in the nucleation of well-aligned trigonal h-BN islands, which merged to ribbons along surface steps, and into larger, more irregularly shaped features. A coverage of up to 60% was achieved with an exposure of 3900 L. A diffraction ring in the low energy electron diffraction pattern was observed with a preferential alignment along the Cu 〈 111 〉 directions of the underlying substrate. Low-energy electron reflectivity scans, as well as x-ray photoelectron and Raman spectroscopies, confirmed the presence of a partial monolayer of h-BN on the surface.

Lean premixed turbulent methane-air flames have been investigated using direct numerical simulations (DNS) for different Karlovitz numbers (Ka), ranging from 65 to 3350. The flames are imposed to a high intensity small-scale turbulent environment, corresponding to high Ka conditions, and the effect on the flame structure is investigated during the transition from initial laminar flame to highly distorted turbulent flame. The focus is on the internal structure of different sub-layers of these flames. The preheat layer, fuel consumption layer and oxidation layer are characterized by the distribution of formaldehyde, the fuel consumption rate and the CO consumption rate, respectively. Different measures that quantify sub-layer thickness for turbulent flames have been defined and analyzed. The flame brush is broadened with time while the local thickness (excluding large scale wrinkling) of all three layers initially show thinning due to the interaction of the flame with the turbulent flow field. As time passes, the local thickness of the preheat layer and fuel consumption layer are restored while the oxidation layer remains thinned due to suppression of CO consuming reactions. As Ka increases there is an increasing probability of finding thinned, large gradient regions in each of these sub-layers. The contribution to the evolution of flame thickness from normal strain rate, chemical reaction and normal and tangential diffusion is analyzed in terms of a gradient transport equation. The relative size of the terms changes as Ka increase and, in particular, the term due to chemical reactions loses its relative significance. The observed thinning of the local flame structure is attributed to the preferential alignment of the flame normal with the compressive strain rate eigenvectors. Such alignment provides a mechanism for the flame thinning, consistent with the behavior of non-reacting scalars. A preferred angle of about 20 degrees is observed between the flame normal and the compressive strain rate eigenvector.

In this work we describe the deformation mechanisms and processes that occurred during the evolution of cataclastic deformation bands developed in the feldspar-rich conglomerates of the Rio do Peixe Basin, NE Brazil. We studied bands with different deformation intensities, ranging from single cm-thick tabular bands to more evolved clustering zones. The chemical identification of cataclastic material within deformation bands was performed using compositional mapping in SEM images, EDX and XRD analyses. Deformation processes were identified by microstructural analysis and by the quantification of comminution intensity, performed using digital image processing. The deformation bands are internally non homogeneous and developed during five evolutionary stages: (1) moderate grain size reduction, grain rotation and grain border comminution; (2) intense grain size reduction with preferential feldspar fragmentation; (3) formation of subparallel C-type slip zones; (4) formation of S-type structures, generating S-C-like fabric; and (5) formation of C′-type slip zones, generating well-developed foliation that resembles S-C-C′-type structures in a ductile environment. Such deformation fabric is mostly imparted by the preferential alignment of intensely comminuted feldspar fragments along thin slip zones developed within deformation bands. These processes were purely mechanical (i.e., grain crushing and reorientation). No clays or fluids were involved in such processes.

Directional solidification experiments of transparent alloy systems typically show multiple dendrites, a forest of dendrites, growing with preferential alignment. At the length scale of centimetres, an experiment could have hundreds of observable dendrites. Analysis of every dendrite would be laborious and practically difficult to implement. Hence, low numbers of dendrites are routinely selected for analysis as they are assumed to be representative of the growth conditions. Hence, many dendrites go without being analysed. Here, a bespoke experimental apparatus with a novel computer vision algorithm is presented that automatically detects and simultaneously tracks multiple columnar dendrite tips from in-situ video data of directional solidification. The benefits of the algorithm are demonstrated with an application to an experimental test case with the transparent alloy system Neopentyl Glycol-35 wt% D -Camphor (NPG-35 wt%DC). Comparisons of dendrite tip velocity and undercooling measurements with microgravity experimental results from the literature showed notable differences. The current terrestrial data showed similar growth rates but at lower undercoolings (by factors in the range of 0.41–0.68) to that measured in the microgravity experiments. Comparisons were made to the classical Lipton-Glicksman-Kurz (LGK) model and to a modified LGK model adapted with a finite diffusional boundary layer theory to account for convection effects. The modified LGK model showed good agreement for boundary layers between 2.5 and 7.0 µm. An oscillatory component to the tip velocity was observed between adjacent columnar dendrites. Video data of columnar dendritic growth augmented with tip velocity vectors are presented. The tip tracking algorithm is beneficial as, with 385 dendrite tips tracked, it provides statistical and qualitative insights that are otherwise difficult to reconcile using traditional methods.

The angular dynamics of small rigid fibers and disks in turbulent channel flow has been investigated numerically, focusing on interactions between particles and near-wall coherent vortices. Three distinctly different alignment patterns of fibers and disks around ensemble-averaged vortices were identified. From the wall to the channel center we observed a shear-dominant, a structure-dominant, and an isotropic region, each with its unique alignment pattern. These regions are different from those based on the conventional Reynolds-averaging view. The structure-dominant region, for instance, extends from about 3 to 60 wall units from the channel wall. Unlike the prevailing view that preferential alignment of fibers and disks are more common in the viscous sublayer than in the buffer layer, where the turbulence intensity reaches its maximum, the conditional ensemble-averaged approach revealed that fibers and disks align preferentially in the structure-dominant region. The particles moreover align differently in sweep and ejection events. The physical alignment mechanism we proposed may also be carried over to polymer- and fiber-induced drag reduction in wall-turbulence.

Preferential alignment of two-dimensional (2D) nanofillers in polymer matrix is essential to realize the transition of distinct properties from individual nanofiller into bulk nanocomposites, but this is an impossible task in conventional melt-processing because 2D nanofillers with two degrees of freedom experience transition and rotation movements along or around the two axes of the plate. Here, we proposed a flow manipulation strategy to control the preferential alignment of 2D montmorillonite (MMT) plates in polyolefin elastomer (POE) tube by superposing a hoop drag flow from rotation of mandrel and die onto axial flow caused by conventional extrusion. The biaxial stress field simultaneously restricted the axial and hoop rotation movements of the major and minor axes of the MMT plates, leading to preferential alignment along the hoop and longitudinal directions with the planar surface perpendicular to radial direction of the tube. As a result, the as-prepared tube exhibited strong resistance to various mechanical deformations (hoop kinking, axial and radial compression) as well as enhanced barrier property, holding the promising potential as an advanced tube in clinical interventional therapy and transportation of polar substances. Compared with the state-of-the-art techniques with complicated process and low productivity efficiency, this flow manipulation strategy for tailoring preferential alignment of 2D nanofillers was featured with a simple melt-processing, which was suitable for massive production and easily extended to the other composite tubes.

A detailed analysis of the microstructure of five 3D printed CF/PEEK samples and the commercial feedstock material used to produce them has been conducted by the means of state-of-the-art micro-CT imaging. The images unequivocally show that both feedstock filament and printed samples contain a large quantity of voids heterogeneously distributed. Voids are randomly distributed within the feedstock, while they are aligned in rows parallel to the mould plate within the printed samples. Short fibers are heterogeneously distributed and display a preferential alignment in all specimens. Overall, the results showed that the 3D printing process did not remove the voids originally present in the feedstock filament and varying key printing parameters had only a minor effect on the printed samples’ void content, while the depositional nature of the printing process strongly affected the samples’ internal geometry.

Activity in nematics drives interfacial flows that lead to preferential alignment that is tangential or planar for extensile systems (pushers) and perpendicular or homeotropic for contractile ones (pullers). This alignment is known as active anchoring and has been reported for a number of systems and described using active nematic hydrodynamic theories. The latter are based on the one-elastic constant approximation, i.e. they assume elastic isotropy of the underlying passive nematic. Real nematics, however, have different elastic constants, which lead to interfacial anchoring. In this paper, we consider elastic anisotropy in multiphase and multicomponent hydrodynamic models of active nematics and investigate the competition between the interfacial alignment driven by the elastic anisotropy of the passive nematic and the active anchoring. We start by considering systems with translational invariance to analyse the alignment at flat interfaces and, then, consider two-dimensional systems and active nematic droplets. We investigate the competition of the two types of anchoring over a wide range of the other parameters that characterize the system. The results of the simulations reveal that the active anchoring dominates except at very low activities, when the interfaces are static. In addition, we found that the elastic anisotropy does not affect the dynamics but changes the active length that becomes anisotropic. This article is part of the theme issue ‘Progress in mesoscale methods for fluid dynamics simulation’.

We report the interaction between active non-spherical swimmers and a long-standing flow structure, Lagrangian coherent structures (LCSs), in a weakly turbulent two-dimensional flow. Using a hybrid experimental–numerical model, we show that rod-like swimmers have a much stronger and more robust preferential alignment with attracting LCSs than with repelling LCSs. Tracing the swimmers' Lagrangian trajectories, we reveal that the preferential alignment is the consequence of the competition between the intrinsic mobility of the swimmers and the reorientation ability of the strain rate near the attracting LCSs. The strong preferential alignment with attracting LCSs further leads to a strong accumulation near the attracting LCSs. Moreover, we show the self-similarity of this accumulation, which reduces the intricate interaction to only one control parameter. Our results generically elucidate the interaction between active and non-spherical swimmers with LCSs and, thus, can be widely applied to many natural and engineered fluids.

Using a numerical model, we analyse the effects of shape on both the orientation and transport of anisotropic particles in wavy flows. The particles are idealized as prolate and oblate spheroids, and we consider the regime of small Stokes and particle Reynolds numbers. We find that the particles preferentially align into the shear plane with a mean orientation that is solely a function of their aspect ratio. This alignment, however, differs from the Jeffery orbits that occur in the residual shear flow (that is, the Stokes drift velocity field) in the absence of waves. Since the drag on an anisotropic particle depends on its alignment with the flow, this preferred orientation determines the effective drag on the particles, which in turn impacts their net downstream transport. We also find that the rate of alignment of the particles is not constant and depends strongly on their initial orientation; thus, variations in initial particle orientation result in dispersion of anisotropic-particle plumes. We show that this dispersion is a function of the particle’s eccentricity and the ratio of the settling and wave time scales. Due to this preferential alignment, we find that a plume of anisotropic particles in waves is on average transported farther but dispersed less than it would be if the particles were randomly oriented. Our results demonstrate that accurate prediction of the transport of anisotropic particles in wavy environments, such as microplastic particles in the ocean, requires the consideration of these preferential alignment effects.

We study the molecular origins of anisotropy in a semicrystalline polymer nanocomposite that is caused by aligned, elongated filler nanoparticles. Our study is based on spatially resolved 2D WAXS/SAXS data that indicates the arrangement of molecules, lamellae, and filler particles in the composite. Isotactic polypropylene (IPP) samples filled with anisotropic TiO2 nanoparticles were prepared by injection molding. The nanocomposite contained IPP crystals with preferential alignment, while neat IPP formed crystals with random orientation under the same preparation conditions. We studied the mechanism through which anisotropic TiO2 nanoparticles change the molecular assembly in the polymer melt and cause preferential alignment. Our hypothesis is that shear forces during injection molding align the long axis of the nanoparticles parallel to the melt flow direction, and the particles align the adjacent IPP molecules. The aligned IPP molecules in the melt then serve as nuclei in crystal growth during solidification. This templating increases the elastic modulus compared to that of neat IPP.

Nanosheet Ca2Nb3O10 (CNOns) layers were deposited on ultralow expansion glass substrates by the Langmuir–Blodgett method to obtain preferential (001)-oriented growth of Pb(Zr0.52Ti0.48)O3 (PZT) thin films using pulsed laser deposition (PLD) to enhance the ferroelectric and piezoelectric properties of the films. The PLD deposition temperature and repetition frequency used for the deposition of the PZT films were found to play a key role in the precise control of the microstructure and therefore of the ferroelectric and piezoelectric properties. A film deposited at a high repetition frequency has a columnar grain structure, which helps to increase the longitudinal piezoelectric coefficient (d33f). An enhanced d33f value of 356 pm V–1 was obtained for 2-μm-thick PZT films on CNOns/glass substrates. This high value is ascribed to the preferential alignment of the crystalline [001] axis normal to the substrate surface and the open columnar structure. Large displacement actuators based on such PZT films grown on CNOns/glass substrates should be useful in smart X-ray optics applications.

In situ measurements were undertaken to characterize particle fields in undisturbed oceanic environments. Simultaneous, co‐located depth profiles of particle fields and flow characteristics were recorded using a submersible holographic imaging system and an acoustic Doppler velocimeter, under different flow conditions and varying particle concentration loads, typical of those found in coastal oceans and lakes. Nearly one million particles with major axis lengths ranging from ∼14 μm to 11.6 mm, representing diverse shapes, sizes, and aspect ratios were characterized as part of this study. The particle field consisted of marine snow, detrital matter, and phytoplankton, including colonial diatoms, which sometimes formed “thin layers” of high particle abundance. Clear evidence of preferential alignment of particles was seen at all sampling stations, where the orientation probability density function (PDF) peaked at near horizontal angles and coincided with regions of low velocity shear and weak turbulent dissipation rates. Furthermore, PDF values increased with increasing particle aspect ratios, in excellent agreement with models of spheroidal particle motion in simple shear flows. To the best of our knowledge, although preferential particle orientation in the ocean has been reported in two prior cases, our findings represent the first comprehensive field study examining this phenomenon. Evidence of nonrandom particle alignment in aquatic systems has significant consequences to aquatic optics theory and remote sensing, where perfectly random particle orientation and thus isotropic symmetry in optical parameters is assumed. Ecologically, chain‐forming phytoplankton may have evolved to form large aspect ratio chains as a strategy to optimize light harvesting.

Maximum potential of any fibers as reinforcing agent in composite materials can be obtained through their preferential alignment. In this study, a facile method has been developed to fabricate high-performance green composites based on aligned bacterial cellulose (BC) as reinforcing agent and soy protein as bio-resin. Aligned BC nanofibrils were produced by cultivating it inside polydimethylsiloxane (PDMS) tubes followed by an optimum wet-stretching. The curved geometry of the inner tube surface provided the bacteria a preferred direction for growth. Further improvement in alignment was obtained with optimized stretching of the tube-shaped BC (TBC) at a crosshead speed of 0.03 mm/min and draw ratio of 1.20. Stretched TBC showed superior mechanical properties in comparison to the conventionally-grown BC pellicle. Stretched TBC resulted in higher tensile strength (230% increase), modulus (330% increase), and orientation indices (135% increase) compared to the conventional BC pellicle. Soy protein isolate (SPI)-based fully green composites reinforced with TBC were prepared by a vacuum-assisted resin impregnation process, and the same stretching method was applied to the TBC-SPI gel. The stretched and cured composites showed significant improvements in the tensile strength (from 40 MPa to 150 MPa) and modulus (from 2 GPa to 8 GPa) in comparison to the conventional BC reinforced composite because of the enhanced alignment of BC nanofibrils.

Prostate cancer (PCa) frequently metastasizes to the bone, generally inducing osteoblastic alterations that increase bone brittleness. Although there is growing interest in the management of the physical capability of patients with bone metastasis, the mechanism underlying the impairment of bone mechanical function remains unclear. The alignment of both collagen fibrils and biological apatite (BAp) c-axis, together with bone mineral density, is one of the strongest contributors to bone mechanical function. In this study, we analyzed the bone microstructure of the mouse femurs with and without PCa cell inoculation. Histological assessment revealed that the bone-forming pattern in the PCa-bearing bone was non-directional, resulting in a spongious structure, whereas that in the control bone was unidirectional and layer-by-layer, resulting in a compact lamellar structure. The degree of preferential alignment of collagen fibrils and BAp, which was evaluated by quantitative polarized microscopy and microbeam X-ray diffraction, respectively, were significantly lower in the PCa-bearing bone than in the control bone. Material parameters including Young's modulus and toughness, measured by the three-point bending test, were simultaneously decreased in the PCa-bearing bone. Specifically, there was a significant positive correlation between the degree of BAp c-axis orientation and Young's modulus. In conclusion, the impairment of mechanical function in the PCa-bearing bone is attributable to disruption of the anisotropic microstructure of bone in multiple phases. This is the first report demonstrating that cancer bone metastasis induces disruption of the collagen/BAp alignment in long bones, thereby impairing their mechanical function.

We obtained preferential in-plane molecular orientation and charge-transport anisotropy in pentacene thin-film transistors (TFTs) on conventional SiO 2 /Si substrates. The nanoscale SiO 2 grooves with depths of 1–3 nm were prepared by a simple scratching process with diamond powder to create a new type of alignment template for inducing the aligned growth of pentacene with in-plane anisotropy. Results of atomic force microscopy and grazing-incidence X-ray diffraction showed that the nanogrooved SiO 2 structure could control the alignment and growth mode of pentacene, and it remarkably decreased the grain size of the pentacene crystals. The charge-carrier mobility along the parallel axis of the nanogrooved structure (0.392 ± 0.039 cm 2 /(V·s)) was more than four-fold higher than that perpendicular to the alignment (0.104 ± 0.048 cm 2 /(V·s)). In addition, we investigated the effect of nanogrooved SiO 2 's surface roughness on the electrical properties of the pentacene TFT and found out that the surface roughness of SiO 2 dielectric layer was more crucial factor on the device performance compared to the preferential alignment of the pentacene molecule.