Lattice Boltzmann simulation of deformable fluid-filled bodies: progress and perspectives.

With the rapid development of studies involving droplet microfluidics, drug delivery, cell detection, and microparticle synthesis, among others, many scientists have invested significant efforts to model the flow of these fluid-filled bodies. Motivated by the intricate coupling between hydrodynamics and the interactions of fluid-filled bodies, several methods have been developed. The objective of this review is to present a compact foundation of the methods used in the literature in the context of lattice Boltzmann methods. For hydrodynamics, we focus on the lattice Boltzmann method due to its specific ability to treat time- and spatial-dependent boundary conditions and to incorporate new physical models in a computationally efficient way. We split the existing methods into two groups with regard to the interfacial boundary: fluid-structure and fluid-fluid methods. The fluid-structure methods are characterised by the coupling between fluid dynamics and mechanics of the flowing body, often used in applications involving membranes and similar flexible solid boundaries. We further divide fluid-structure-based methods into two subcategories, those which treat the fluid-structure boundary as a continuum medium and those that treat it as a discrete collection of individual springs and particles. Next, we discuss the fluid-fluid methods, particularly useful for the simulations of fluid-fluid interfaces. We focus on models for immiscible droplets and their interaction in a suspending fluid and describe benchmark tests to validate the models for fluid-filled bodies.

Dispersion of activity at an active-passive nematic interface.

Efficient nutrient mixing is crucial for the survival of bacterial colonies and other living systems known as active nematics. However, the dynamics of this mixing is non-trivial as there is a coupling between nutrients concentration and velocity field. To address this question, we solve the hydrodynamic equation for active nematics to model the bacterial swarms coupled to an advection-diffusion equation for the activity field, which is proportional to the concentration of nutrients. At the interface between active and passive nematics the activity field is transported by the interfacial flows and in turn it modifies them through the generation of active stresses. We find that the dispersion of this conserved activity field is subdiffusive due to the emergence of a barrier of negative defects at the active-passive interface, which hinders the propagation of the motile positive defects.

Director alignment at the nematic-isotropic interface: elastic anisotropy and active anchoring.

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'.

Propagation of active nematic-isotropic interfaces on substrates.

Motivated by results for the propagation of active-passive interfaces of bacterial Serratia marcescens swarms [Nat. Commun., 2018, 9, 5373], we used a hydrodynamic multiphase model to investigate the propagation of interfaces of active nematics on substrates. We characterized the active nematic phase of the model through the calculation of the spatial and temporal auto correlation functions and the energy spectrum and discussed its description of the statistical dynamics of the swarms reported in the experiment. We then studied the propagation of circular and flat active-passive interfaces. We found that the closing time of the circular passive domain decays quadratically with the activity and that the structure factor of the flat interface is similar to that reported for the swarms, with an activity dependent exponent. Finally, the effect of the substrate friction was investigated. We found an activity dependent threshold, above which the turbulent active nematic forms isolated islands that shrink until the system becomes isotropic and below which the active nematic expands, with a well defined propagating interface. We also found that the interface becomes static in the presence of a friction gradient.

Active nematic-isotropic interfaces in channels.

We use numerical simulations to investigate the hydrodynamic behavior of the interface between nematic (N) and isotropic (I) phases of a confined active liquid crystal. At low activities, a stable interface with constant shape and velocity is observed separating the two phases. For nematics in homeotropic channels, the velocity of the interface at the NI transition increases from zero (i) linearly with the activity for contractile systems and (ii) quadratically for extensile ones. Interestingly, the nematic phase expands for contractile systems while it contracts for extensile ones, as a result of the active forces at the interface. Since both activity and temperature affect the stability of the nematic, for active nematics in the stable regime the temperature can be tuned to observe static interfaces, providing an operational definition for the coexistence of active nematic and isotropic phases. At higher activities, beyond the stable regime, an interfacial instability is observed for extensile nematics. In this regime defects are nucleated at the interface and move away from it. The dynamics of these defects is regular and persists asymptotically for a finite range of activities. We used an improved hybrid model of finite differences and the lattice Boltzmann method with a multi-relaxation-time collision operator, the accuracy of which allowed us to characterize the dynamics of the distinct interfacial regimes.

Intraoral Excision of a Huge Cheek Lipoma.

Lipomas are benign tumors of mature adipocytes unusual in the oral and maxillofacial region. The average size of cheek lipomas in the literature ranges from 1.5 to 2.5 cm, with the maximum size of 5 cm. Their etiology remains unclear. Lipomas present, clinically, as well circumscribed, slow growing, painless masses, usually treated by complete excision. The aim of this paper is to present a 78-year-old Caucasian male patient with a huge cheek lipoma compromising facial esthetics and treated through an intraoral excision. Postoperative period was uneventful with no signs of recurrence. Concluding, the intraoral approach is a relatively simple technique that should be taken into account when considering the surgical removal of cheek lipomas.

Platelets and platelet adhesion molecules: novel mechanisms of thrombosis and anti-thrombotic therapies.

Platelets are central mediators of thrombosis and hemostasis. At the site of vascular injury, platelet accumulation (i.e. adhesion and aggregation) constitutes the first wave of hemostasis. Blood coagulation, initiated by the coagulation cascades, is the second wave of thrombin generation and enhance phosphatidylserine exposure, can markedly potentiate cell-based thrombin generation and enhance blood coagulation. Recently, deposition of plasma fibronectin and other proteins onto the injured vessel wall has been identified as a new "protein wave of hemostasis" that occurs prior to platelet accumulation (i.e. the classical first wave of hemostasis). These three waves of hemostasis, in the event of atherosclerotic plaque rupture, may turn pathogenic, and cause uncontrolled vessel occlusion and thrombotic disorders (e.g. heart attack and stroke). Current anti-platelet therapies have significantly reduced cardiovascular mortality, however, on-treatment thrombotic events, thrombocytopenia, and bleeding complications are still major concerns that continue to motivate innovation and drive therapeutic advances. Emerging evidence has brought platelet adhesion molecules back into the spotlight as targets for the development of novel anti-thrombotic agents. These potential antiplatelet targets mainly include the platelet receptors glycoprotein (GP) Ib-IX-V complex, ß3 integrins (αIIb subunit and PSI domain of ß3 subunit) and GPVI. Numerous efforts have been made aiming to balance the efficacy of inhibiting thrombosis without compromising hemostasis. This mini-review will update the mechanisms of thrombosis and the current state of antiplatelet therapies, and will focus on platelet adhesion molecules and the novel anti-thrombotic therapies that target them.

Effects of Screw- and Cement-Retained Implant-Supported Prostheses on Bone: A Nonlinear 3-D Finite Element Analysis.

PURPOSE: To compare the stresses and displacements on perimplant bone generated by screw- and cement-retained prostheses using the finite element method. MATERIALS AND METHODS: Two models were constructed: partial fixed implant-supported prostheses with three elements retained by screws (SFP) or cement (CFP). Vertical and oblique loads of 100 N were applied on the models. Bone was analyzed by the principal stresses σ1 and σ3. The displacement between the implant and the bone was identified by the penetration and gap. RESULTS: Results showed a similar pattern in the distribution of the principal stresses between both prostheses. Under the σ1 stresses, the SFP showed similar values in the bone compared with the CFP. The analysis of the σ3 showed stress peaks 28% higher in the SFP, considering vertical and oblique loads. Displacement analysis showed a similar pattern and similar values between the prostheses for penetration and gap under both loads. CONCLUSIONS: There were no important differences in the σ1 analysis and the displacement between the SFP and CFP. The differences in marginal bone level reported between SFP and CFP in some clinical studies may not be related to a mechanical factor.

Systemic effects of LLLT on bone repair around PLLA-PGA screws in the rabbit tibia.

To evaluate the systemic effects of low level laser therapy (LLLT) on the early stages of bone repair after implantation of poly-L-lactic/polyglycolic acid (PLLA-PGA) screws 24 rabbits were randomly allocated to one of two groups, experiment or control. Each animal underwent implantation of one 5 × 1.5 mm PLLA-PGA screw in each tibia (right and left). The experiment group received infrared laser irradiation (830 nm, 4 J, 100 mW, 10.1 s) over the right paw immediately after implantation and every 48 h thereafter, for a maximum of seven sessions. The control group was not irradiated. Both groups were divided into three subgroups according to the observation period (5, 15, or 30 days), after which animals were euthanized. The results observed in the left paw of experimental animals were compared with the left paws of control animals. We also compared the right and left paws of experimental animals so as to compare local and potential systemic effects. Bone specimens were analyzed to assess the extent of peri-implant bone formation, quantitative analysis revealed greater bone formation in the left tibia of experimental animals as compared to controls on 5-day follow-up. Descriptive analysis revealed slightly larger and thicker trabeculae in the irradiated animals at 5 days post-procedure. There were no significant differences at any other point in time. As used in this study, LLLT had a positive systemic effect on the early stages of bone formation.

Effect of droplet deformability on shear thinning in a cylindrical channel.

Droplets suspended in fluids flowing through microchannels are often encountered in different contexts and scales, from oil extraction down to microfluidics. They are usually flexible and deform as a product of the interplay between flexibility, hydrodynamics, and interaction with confining walls. Deformability adds distinct characteristics to the nature of the flow of these droplets. We simulate deformable droplets suspended in a fluid at a high volume fraction flowing through a cylindrical wetting channel. We find a discontinuous shear thinning transition, which depends on the droplet deformability. The capillary number is the main dimensionless parameter that controls the transition. Previous results have focused on two-dimensional configurations. Here we show that, in three dimensions, even the velocity profile is different. To perform this study, we improve and extend to three dimensions a multicomponent lattice Boltzmann method which prevents the coalescence between the droplets.

Large-Scale Colloidal Synthesis of Chalcogenides for Thermoelectric Applications.

A simple and effective preparation of solution-processed chalcogenide thermoelectric materials is described. First, PbTe, PbSe, and SnSe were prepared by gram-scale colloidal synthesis relying on the reaction between metal acetates and diphenyl dichalcogenides in hexadecylamine solvent. The resultant phase-pure chalcogenides consist of highly crystalline and defect-free particles with distinct cubic-, tetrapod-, and rod-like morphologies. The powdered PbTe, PbSe, and SnSe products were subjected to densification by spark plasma sintering (SPS), affording dense pellets of the respective chalcogenides. Scanning electron microscopy shows that the SPS-derived pellets exhibit fine nano-/micro-structures dictated by the original morphology of the key constituting particles, while the powder X-ray diffraction and electron microscopy analyses confirm that the SPS-derived pellets are phase-pure materials, preserving the structure of the colloidal synthesis products. The resultant solution-processed PbTe, PbSe, and SnSe exhibit low thermal conductivity, which might be due to the enhanced phonon scattering developed over fine microstructures. For undoped n-type PbTe and p-type SnSe samples, an expected moderate thermoelectric performance is achieved. In contrast, an outstanding figure-of-merit of 0.73 at 673 K was achieved for undoped n-type PbSe outperforming, the majority of the optimized PbSe-based thermoelectric materials. Overall, our findings facilitate the design of efficient solution-processed chalcogenide thermoelectrics.

Dynamics of two-dimensional liquid bridges.

We have simulated the motion of a single vertical, two-dimensional liquid bridge spanning the gap between two flat, horizontal solid substrates of given wettabilities, using a multicomponent pseudopotential lattice Boltzmann method. For this simple geometry, the Young-Laplace equation can be solved (quasi-)analytically to yield the equilibrium bridge shape under gravity, which provides a check on the validity of the numerical method. In steady-state conditions, we calculate the drag force exerted by the moving bridge on the confining substrates as a function of its velocity, for different contact angles and Bond numbers. We also study how the bridge deforms as it moves, as parametrized by the changes in the advancing and receding contact angles at the substrates relative to their equilibrium values. Finally, starting from a bridge within the range of contact angles and Bond numbers in which it can exist at equilibrium, we investigate how fast it must move in order to break up.

An Electrical Contacts Study for Tetrahedrite-Based Thermoelectric Generators.

High electrical and thermal contact resistances can ruin a thermoelectric device's performance, and thus, the use of effective diffusion barriers and optimization of joining methods are crucial to implement them. In this work, the use of carbon as a Cu11Mn1Sb4S13 tetrahedrite diffusion barrier, and the effectiveness of different fixation techniques for the preparation of tetrahedrite/copper electrical contacts were investigated. Contacts were prepared using as jointing materials Ni and Ag conductive paints and resins, and a Zn-5wt% Al solder. Manual, cold- and hot-pressing fixation techniques were explored. The contact resistance was measured using a custom-made system based on the three points pulsed-current method. The legs interfaces (Cu/graphite/tetrahedrite) were investigated by optical and scanning electron microscopies, complemented with energy-dispersive X-ray spectroscopy, and X-ray diffraction. No interfacial phases were formed between the graphite and the tetrahedrite or Cu, pointing to graphite as a good diffusion barrier. Ag water-based paint was the best jointing material, but the use of hot pressing without jointing materials proves to be the most reliable technique, presenting the lowest contact resistance values. Computer simulations using the COMSOL software were performed to complement this study, indicating that high contact resistances strongly reduce the power output of thermoelectric devices.

Computer Simulations of Silicide-Tetrahedrite Thermoelectric Generators.

With global warming and rising energy demands, it is important now than ever to transit to renewable energy systems. Thermoelectric (TE) devices can present a feasible alternative to generate clean energy from waste heat. However, to become attractive for large-scale applications, such devices must be cheap, efficient, and based on ecofriendly materials. In this study, the potential of novel silicide-tetrahedrite modules for energy generation was examined. Computer simulations based on the finite element method (FEM) and implicit finite difference method (IFDM) were performed. The developed computational models were validated against data measured on a customized system working with commercial TE devices. The models were capable of predicting the TEGs' behavior with low deviations (≤10%). IFDM was used to study the power produced by the silicide-tetrahedrite TEGs for different ΔT between the sinks, whereas FEM was used to study the temperature distributions across the testing system in detail. To complement these results, the influence of the electrical and thermal contact resistances was evaluated. High thermal resistances were found to affect the devices ΔT up to ~15%, whereas high electrical contact resistances reduced the power output of the silicide-tetrahedrite TEGs by more than ~85%.

Guided Endodontic Approach in Teeth with Pulp Canal Obliteration and Previous Iatrogenic Deviation: A Case Series.

Pulp canal obliteration (PCO) is a challenging clinical scenario in which canals must be located in progressively narrowing roots. Recently, proof of concept papers have, in parallel, introduced the combination of cone-beam computed tomography and surface scans for the construction of guides to pilot the negotiation and preparation of partially or completely obliterated pulp chambers and canals in anterior and posterior teeth. Authors' purpose is to describe the treatment approach for teeth with PCO and previous iatrogenic deviation using guided endodontic technique. The clinical cases reported here show that technological evolutions should make guided endodontic procedures more widespread because their execution is relatively fast and safe even in the cases of root canal deviation. Treatment of teeth with pulp canal obliteration with deviations or perforation may be more effective with designed 3D printed access guides that seems to be a safe and clinically feasible method to locate root canals.

Dynamics of flowing 2D skyrmions.

We investigate, numerically, the effects of externally imposed material flows on the structure and temporal evolution of liquid crystal (LC) skyrmions. The dynamics of a 2D system of skyrmions is modeled using the Ericksen-Leslie theory, which is based on two coupled equations, one for material flow and the other for the director field. As the time scales of the velocity and director fields differ by several orders of magnitude for realistic values of the system parameters, we have simplified the calculations by assuming that the velocity relaxes instantaneously when compared to the relaxation of the director field. Thus, we have used a finite-differences method known as artificial compressibility with adaptive time step to solve the velocity field and a fourth-order Runge-Kutta method for the director field. We characterized the skyrmion shape or configuration as a function of the time and the average velocity of the flow field. We found that for velocities above a certain threshold, the skyrmions stretch in the direction perpendicular to the flow, by contrast to the regime of weak flows where the skyrmions stretch along the streamlines of the flow field. These two regimes are separated by an abrupt (first-order) dynamical transition, which is robust with respect to e.g., the LC elastic anisotropy. Additionally, we have found how the presence of a second skyrmion affects the evolution of the shape of the skyrmions, by comparing the evolution of pairs of skyrmions to the evolution of a single-skyrmion.

Collaborative and Structured Network for Maintenance of Mechanical Ventilators during the SARS-CoV-2 Pandemic.

The SARS-CoV-2 pandemic in Brazil has grown rapidly since the first case was reported on 26 February 2020. As the pandemic has spread, the low availability of medical equipment has increased, especially mechanical ventilators. The Brazilian Unified Health System (SUS) claimed to have only 40,508 mechanical ventilators, which would be insufficient to support the Brazilian population at the pandemic peak. This lack of ventilators, especially in public hospitals, required quick, assertive, and effective actions to minimize the health crisis. This work provides an overview of the rapid deployment of a network for maintaining disused mechanical ventilators in public and private healthcare units in some regions of Brazil during the SARS-CoV-2 pandemic. Data referring to the processes of maintaining equipment, acquiring parts, and conducting national and international training were collected and analyzed. In total, 4047 ventilators were received by the maintenance sites, and 2516 ventilators were successfully repaired and returned to the healthcare units, which represents a success rate of 62.17%. The results show that the maintenance initiative directly impacted the availability and reliability of the equipment, allowing access to ventilators in the public and private health system and increasing the capacity of beds during the pandemic.

Tribological Investigations on Tool Surfaces for Temperature-Supported Forming of Magnesium AZ31 Sheets.

Aiming to decrease friction coefficient ( µ ) during the forming of magnesium alloy sheets, nine (9) tools with different hole geometries in their surface (flat, elliptical, and circular) were manufactured from steel Boehler W400 VMR (as known as DIN 1.2343). Tribological investigations were accomplished on a strip drawing machine at 288 °C without lubricants. When compared with a standard tool (surface flat), on average, tools with circular geometries in their surface showed the smallest friction coefficient, while tools with elliptical geometries shown higher. The friction coefficient also was confronted with the ratio between area occupied by holes in the surface of the tool and the total tool surface (i.e., factor f (%)), hole diameter (Ø), and the distance between circle centers (d(c,c)). Principal Component Analysis (PCA) complemented the experimental approach. In summary, both approaches (experimental and theoretical) indicated that the manufactured tool with circular geometries on its surface presented lower friction coefficient values on the forming processes of the magnesium AZ31 sheets.

Characterization of amylose and amylopectin fractions separated from potato, banana, corn, and cassava starches.

Analytical techniques such HPSEC, DSC, and TGA have been employed for amylose determination in starch samples, though spectrophotometry by iodine binding is most commonly used. The vast majority of these techniques require an analytical curve, using amylose and amylopectin standards with physicochemical properties similar to those found in the original starch. The current study aimed to obtain the amylose and amylopectin fractions from potato, banana, corn, and cassava starches, characterize them, and evaluate their behavior via thermogravimetric curves. Blue amylose iodine complex and HPSEC-DRI methods have obtained high purity amylose and amylopectin fractions. All molecular weights of the obtained amylose and amylopectin fractions were similar to those presented in other reports. Different results were obtained by deconvolution of the amylopectin polymodal distribution. All amyloses presented as semi-crystalline V-type polymorphs, while all amylopectin fractions were amorphous. The Tg of all Vamyloses presented were directly proportional to their respective crystalline index. TGA evaluations have shown that selective precipitation of amylose with 1-butanol strongly changes its thermal behavior. Therefore, the separation procedure used was an ineffective pathway for obtaining standards for thermal studies.

On manufacturing multilayer-like nanostructures using misorientation gradients in PVD films.

Due to their applicability for manufacturing dense, hard and stable coatings, Physical Vapor Deposition (PVD) techniques, such as High Power Impulse Magnetron Sputtering (HiPIMS), are currently used to deposit transition metal nitrides for tribological applications. Cr-Al-N is one of the most promising ceramic coating systems owing to its remarkable mechanical and tribological properties along with excellent corrosion resistance and high-temperature stability. This work explores the possibility of further improving Cr-Al-N coatings by modulation of its microstructure. Multilayer-like Cr1-xAlxN single films were manufactured using the angular oscillation of the substrate surface during HiPIMS. The sputtering process was accomplished using pulse frequencies ranging from 200 to 500 Hz and the resulting films were evaluated with respect to their hardness, Young's modulus, residual stresses, deposition rate, crystallite size, crystallographic texture, coating morphology, chemical composition, and surface roughness. The multilayer-like structure, with periodicities ranging from 250 to 550 nm, were found associated with misorientation gradients and small-angle grain boundaries along the columnar grains, rather than mesoscopic chemical modulation of the microstructure. This minute modification of microstructure along with associated compressive residual stresses are concluded to explain the increased hardness ranging from 25 to 30 GPa, which is at least 20% over that expected for a film of the same chemical composition grown by a conventional PVD processing route.