Grain orientation and shape evolution of ferroelectric ceramic thick films simulated by phase-field method.

The orientation and shape of ceramics grains was always neglected, resulting in a lot of information during sintering has not been excavated. In this study, a modified phase-field model in order to express the anisotropy of grain boundary energy is developed. The effects of the anisotropy of grain boundary energy on the grain orientation and shape evolution are investigated in detail. The ferroelectric ceramic thick films are prepared by tape casting. The comparison of experiment and simulation results shows that the anisotropy of grain boundary energy results in uneven grain orientation and bimodal grain size distribution. The quantitative analysis of grain microstructures helps to establish a relationship with the degree of anisotropy of grain boundary energy. Our findings provide a new way to judge the degree of anisotropy by calculating the relevant parameters in the SEM images of ceramics materials.

Simulating asymmetric membranes using P21 periodic boundary conditions.

Molecular dynamics (MD) simulations of symmetric lipid bilayers are now well established, while those of asymmetric ones are considerably less developed. This disjunction arises in part because the surface tensions of leaflets in asymmetric bilayers can differ (unlike those of symmetric ones), and there is no simple way to determine them without assumptions. This chapter describes the use of P21 periodic boundary conditions (PBC), which allow lipids to switch leaflets, to generate asymmetric bilayers under the assumption of equal chemical potentials of lipids in opposing leaflets. A series of examples, ranging from bilayers with one lipid type to those with peptides and proteins, provides a guide for the use of P21 PBC. Critical properties of asymmetric membranes, such as spontaneous curvature, are highly sensitive to differences in the leaflet surface tensions (or differential stress), and equilibration with P21 PBC substantially reduces differential stress of asymmetric bilayers assembled with surface area-based methods. Limitations of the method are discussed. Technically, the nonstandard unit cell is difficult to parallelize and to incorporate restraints. Inherently, the assumption of equal chemical potentials, and therefore the method itself, is not applicable to all target systems. Despite these limitations, it is argued that P21 simulations should be considered when designing equilibration protocols for MD studies of most asymmetric membranes.

The effect of shortfin mako shark skin at the reattachment of a separated turbulent boundary layer.

This smooth flat experimental study investigates the capability of mako shark scales to control flow separation when placed downstream of the onset of turbulent boundary layer separation and within the reattachment region. The objective of the study is to validate the hypothesis that the shark scales' bristling and recoiling would prevent the flow separation on the flank region (the fastest flow region) of the shark. A rotating cylinder was used to induce an adverse pressure gradient over a flat plate to produce a region of separated flow where the shark skin specimen was mounted. Two types of mako shark scales (flank (B2) and between flank and dorsal fin (B1)) were positioned in the preferred flow direction on a flat plate. The B2 scales are slender, 200 µm tall, and can bristle up to 50°. In contrast, B1 scales are wider, shorter, and can bristle at 30º. The bristling angle and shape are the main mechanisms by which the scales act to inhibit flow from moving upstream near the wall. Thus, the difference in the bristling angles and structures of the scales is attributed to the fact that the B2 scales function in a thicker boundary layer (behind the shark's gills) where they must bristle sufficiently high into the boundary layer to control the flow separation, and because the adverse pressure gradient in this region is higher where flow separation is more likely. The scales are placed in the reattachment region to elucidate their ability to control and reattach an already separated turbulent flow. The results show that B2 scales placed in the reattachment region reduce the size of the turbulent separation bubble and decrease the turbulent kinetic energy, while B1 scales have the opposite effect. .

Total kidney volume in autosomal dominant polycystic kidney disease: intraobserver and interobserver agreement of two methods with MRI.

Background/aim: Total kidney volume (TKV) is a parameter used in both treatment decision and follow-up in autosomal dominant polycystic kidney disease (ADPKD) patients. The objective of this study was to evaluate intra- and interobserver agreement of the ellipsoid formula (EF) and manual boundary tracing method (MBTM) used in TKV measurement of ADPKD patients across different levels of experience radiologists. Additionally, the study aimed to evaluate the correlation between the EF and MBTM, which is considered the gold standard for TKV. Materials and methods: A retrospective evaluation was conducted on magnetic resonance imaging (MRI) data from 55 ADPKD patients who underwent abdominal MRI between January 2017 and November 2021 to evaluate TKV. TKV measurements were performed by three independent observers (observer 1, an abdominal imaging radiologist with 5 years of experience; observer 2, a fourth-year radiology resident; observer 3, a second-year radiology resident).To assess intraobserver variability, all observers repeated the measurements at two-week intervals. The ICC was used to assess both intraobserver and interobserver variability. A comparison of the two methods was performed by linear regression for all three observers. Results: The ICC (95% CI) indicated excellent agreement between the observers for both methods (among all observers, p < 0.001). Furthermore, excellent intraobserver agreement was found between all observer measurements either EF or MBTM based on ICC (95% CI) (p < 0.001). The results of the linear regression analysis demonstrated high correlations between the two methods in all three observers (r = 0.992, p < 0.001 for the first observer; r = 0.975, p < 0.001 for the second observer; r = 0.989, p < 0.001 for the third observer). Conclusion: Both the EF and MBTM methods used for the measurement of TKV provided excellent intra- and interobserver reproducibility. The EF is as accurate and precise as the MBTM. It may therefore be preferred in radiology departments with heavy workload, as it is a reliable method for rapid and easy assessment, independent of experience.

Chiral Twist Interface Modulation Enhances Thermoelectric Properties of Tellurium Crystal.

Manipulating the grain boundary and chiral structure of enantiomorphic inorganic thermoelectric materials facilitates a new degree of freedom for enhancing thermoelectric energy conversion. Chiral twist mechanisms evolve by the screw dislocation phenomenon in the nanostructures; however, contributions of such chiral transport have been neglected for bulk crystals. Tellurium (Te) has a chiral trigonal crystal structure, high band degeneracy, and lattice anharmonicity for high thermoelectric performance. Here, Sb-doped Te crystals are grown to minimize the severe grain boundary effects on carrier transport and investigate the interface of chiral Te matrix and embedded achiral Sb2Te3 precipitates, which induce unusual lattice twists. The low grain boundary scattering and conformational grain restructuring provide electrical-favorable semicoherent interfaces. This maintains high electrical conductivity leading to a twofold increase in power factor compared to polycrystal samples. The embedded Sb2Te3 precipitates concurrently enable moderate phonon scattering leading to a remarkable decrease in lattice thermal conductivity and a high dimensionless figure of merit (zT) of 1.1 at 623 K. The crystal growth and chiral atomic reorientation unravel the emerging benefits of interface engineering as a crucial contributor to effectively enhancing carrier transport and minimizing phonon propagation in thermoelectric materials.

A survey on integral equations for bioelectric modeling.

Bioelectric modeling problems, such as EEG, MEG, TES, DBS, and TMS, among others, can be approached through the formulation and resolution of integral equations of the boundary element method (BEM). Recently, it has been realized that the charge-based formulation of the BEM is naturally wellsuited for the application of the fast multipole method (FMM). The FMM is a powerful algorithm for the computation of many-body interactions and is widely applied in electromagnetic modeling problems. With the introduction of BEM-FMM in the context of bioelectromagnetism, the BEM can now compete with the finite element method (FEM) in a number of application cases. This survey has two goals: first, to give a modern account of the main BEM formulations in the literature and their integration with FMM, directed to general researchers involved in development of BEM software for bioelectromagnetic applications. Second, to survey different techniques and available software, and to contrast different BEM and FEM approaches. As a new contribution, we showcase that the charge-based formulation is dual to the more common surface potential formulation.

Estimation of the injection criteria for magnetic hyperthermia therapy based on tumor morphology.

Intratumoral multi-injection strategy enhances the efficacy of magnetic nanoparticle hyperthermia therapy (MNPH). In this study, criteria for the selection of injections and their location depending on the tumor shape/geometry are developed. The developed strategy is based on the thermal dosimetry results of different invasive 3D tumor models during MNPH simulation. MNPH simulations are conducted on physical tumor tissue models encased within healthy tissue. The tumor shapes are geometrically divided into a central tumor region containing maximum tumor volume and a peripheral tumor portion protruding in any random direction. The concepts of core and invasive radius are used to geometrically divide the tumor volume. Primary & secondary injections are used to inject MNP fluid into these respective tumor regions based on the invasiveness of the tumor. The optimization strategy is devised based on the zone of influence of primary & secondary injection. Results indicate that the zone of influence of secondary injection lies between 0.7 and 0.8 times the radial distance between the center of the tumor core and branch node point (extreme far endpoint on the invasive tumor surface). Additionally, the multi-injection strategy is more effective when the protrusion volume exceeds 10% of the total volume. The proposed algorithm is used to devise multi-injection strategies for arbitrarily shaped tumors and will assist in pre-planning magnetic nanoparticle hyperthermia therapy.

Learning obstacle avoidance and predation in complex reef environments with deep reinforcement learning.

The reef ecosystem plays a vital role as a habitat for fish species with limited swimming capabilities, serving not only as a sanctuary and food source but also influencing their behavioral tendencies. Understanding the intricate mechanism through which fish adeptly navigate the moving targets within reef environments within complex water flow, all while evading obstacles and maintaining stable postures, has remained a challenging and prominent subject in the realms of fish behavior, ecology, and biomimetics alike. An integrated simulation framework is used to investigate fish predation problems within intricate environments, combining deep reinforcement learning algorithms (DRL) with high-precision fluid-structure interaction numerical methods-lmmersed Boundary Lattice Boltzmann Method (lB-LBM). The Soft Actor-Critic (SAC) algorithm is used to improve the intelligent fish's capacity for random exploration, tackling the multi-objective sparse reward challenge inherent in real-world scenarios. Additionally, a reward shaping method tailored to its action purposes has been developed, capable of capturing outcomes and trend characteristics effectively. The convergence and robustness advantages of the method elucidated in this paper are showcased through two case studies: one addressing fish capturing randomly moving targets in hydrostatic flow field, and the other focusing on fish counter-current foraging in reef environments to capture drifting food. A comprehensive analysis was conducted of the influence and significance of various reward types on the decision-making processes of intelligent fish within intricate environments.

Regional differences in leaf evolution facilitate photosynthesis following severe drought.

Characterizing physiological and anatomical changes that underlie rapid evolution following climatic perturbation can broaden our understanding of how climate change is affecting biodiversity. It can also provide evidence of cryptic adaptation despite stasis at higher levels of biological organization. Here, we compared evolutionary changes in populations of Mimulus cardinalis from historically different climates in the north and south of the species' range following an exceptional drought. We grew seeds produced from predrought ancestral plants alongside peak-drought descendants in a common glasshouse and exposed them to wet and dry conditions. Before the drought, northern ancestral populations expressed traits contributing to drought escape, while southern ancestral populations expressed drought avoidance. Following the drought, both regions evolved to reduce water loss and maintain photosynthesis in dry treatments (drought avoidance), but via different anatomical alterations in stomata, trichomes, and palisade mesophyll. Additionally, southern populations lost the ability to take advantage of wet conditions. These results reveal rapid evolution towards drought avoidance at an anatomical level following an exceptional drought, but suggest that differences in the mechanisms between regions incur different trade-offs. This sheds light on the importance of characterizing underlying mechanisms for downstream life-history and macromorphological traits.

Hole-Carrier-Dominant Transport in 2D Single-Crystal Copper.

In 2D noble metals like copper, the carrier scattering at grain boundaries has obscured the intrinsic nature of electronic transport. However, it is demonstrated that the intrinsic nature of transport by hole carriers in 2D copper can be revealed by growing thin films without grain boundaries. As even a slight deviation from the twin boundary is perceived as grain boundaries by electrons, it is only through the thorough elimination of grain boundaries that the hidden hole-like attribute of 2D single-crystal copper can be unmasked. Two types of Fermi surfaces, a large hexagonal Fermi surface centered at the zone center and the triangular Fermi surface around the zone corner, tightly matching to the calculated Fermi surface topology, confirmed by angle-resolved photoemission spectroscopy (ARPES) measurements and vivid nonlinear Hall effects of the 2D single-crystal copper account for the presence of hole carriers experimentally. This breakthrough suggests the potential to manipulate the majority carrier polarity in metals by means of grain boundary engineering in a 2D geometry.

Numerical study on the stimulation effect of boundary sealing and hot water injection in marine challenging gas hydrate extraction.

This study proposed a novel development mode combining boundary sealing and hot water injection to address the challenges of gas leakage, limited reservoir sensible heat, boundary water intrusion, and low productivity faced by challenging hydrate extraction, and the stimulation effect was numerically investigated with Shenhu hydrates as the geological background. The results showed that lower boundary permeability facilitated pressure propagation and achieved volumetric dissociation of hydrates, whereas insufficient formation energy resulted in substantial gas retention. Hot water injection was effective for stimulation, but open boundaries could not maintain the high injection pressure, leading to massive hot water losses and gas escapes. However, their combination achieved a synergistic stimulation like "1 + 1 > 2" because a piston water drive similar to secondary recovery in oil and gas development was formed. Relative to three-spot well patterns, the five-spot shortened the extraction cycle by 680 days and enhanced the gas-to-water ratio by 17%. Increasing injection pressure enhanced water yield more significantly while the improvement of gas yield was more significant by increasing hot water temperature. Overall, high-pressure and high-temperature injection was suggested for gas enhancement and water control. These findings provide important guidance for advancing the commercial development of challenging hydrates.

Existence and convergence of the length-preserving elastic flow of clamped curves.

We study the evolution of curves with fixed length and clamped boundary conditions moving by the negative L 2 -gradient flow of the elastic energy. For any initial curve lying merely in the energy space we show existence and parabolic smoothing of the solution. Applying previous results on long-time existence and proving a constrained Lojasiewicz-Simon gradient inequality we furthermore show convergence to a critical point as time tends to infinity.

Dependency of the drag coefficient on boundary layer stability beneath drifting sea ice in the central Arctic Ocean.

The ice-ocean drag coefficient C w and turning angle θ w are crucial parameters in ice-ocean coupled simulations, determining the transfer of momentum between the two media. These parameters are often treated as constants regardless of the static stability at the ice-ocean interface. This study investigates the variability of C w and θ w based on direct observations of thermal and kinetic energy balance. The observations were conducted beneath multiyear ice packs widely across the central Arctic during a period transitioning from ablation to refreezing, indicating significant variability of C w = 1-130 × 10-3 and θ w = - 19-1° at 5 m depth. Comparing different stations, the observations suggest a pronounced dependence of C w on the stability parameter ( µ ) resulting from mechanical and buoyant forcing. C w rapidly decays with increasing µ , indicating that the ice-to-ocean momentum transfer is enhanced for neutral or unstable conditions, while it is weakened for stable conditions. In addition, observed vertical profiles of currents revealed that | θ w | tends to be smaller for unstable and larger for stable conditions. We suggest that numerical simulations using constant values could result in an underestimate of large-scale near-surface currents during the ice growing period.

Strengthening collaboration within Dutch municipalities for a healthier living environment: experiences and possible improvements according to civil servants.

Background: Health is partly determined by the physical environment in which people live. It is therefore crucial to consider health when designing the physical living space. This requires collaboration between the social and physical domains within municipalities. Collaboration is not self-evident, however, and it is difficult to achieve due to barriers relating to culture, language and work processes. Additionally, improvements in collaboration are desperately needed to address complex health issues, and working according to the new Environment and Planning Act in the Netherlands requires more collaboration. One relevant question concerns how civil servants describe the current collaboration between the social and physical domain and the concrete improvements they propose to improve such collaboration to build a healthier living environment. Methods: In this qualitative study, the Collaborative Governance framework was used to present data from semi-structured interviews with 21 civil servants in five Dutch municipalities. Respondents were asked to reflect on their current experiences with collaboration and suggest concrete opportunities for improving collaboration. Results: The results indicate that enhancing collaboration between the social and physical domains can be achieved by proceeding from the inhabitants' perspective, as well as by encouraging aldermen and managerial personnel to take a more active and committed role in collaboration. This involves formulating and communicating a joint vision, in addition to guiding and facilitating collaboration through integrated assignments, forming multidisciplinary teams and appointing boundary-spanners. Civil servants see a clear role for themselves in the collaborative process. They recognize their own contributions to and obligations in enhancing collaboration by actively seeking contact, absorbing each other's perspectives and pursuing common ground, starting today. Conclusion: There are many concrete opportunities to improve collaboration between the social and physical domains. This could be initiated immediately if civil servants, managers and aldermen approach collaboration as an essential part of their jobs and acknowledge the interdependency that exits.

Low-Temperature Superplasticity of Ultrafine-Grained Aluminum Alloys: Recent Discoveries and Innovative Potential.

The last two decades have witnessed significant progress in the development of severe plastic deformation techniques to produce ultrafine-grained materials with new and superior properties. This review examines works and achievements related to the low-temperature superplasticity of ultrafine-grained aluminum alloys. The examples are provided of the possibility to observe low-temperature superplasticity in aluminum alloys at temperatures less than 0.5 Tmelt and even at room temperature, and herein, we demonstrate the cases of achieving high ductility and high strength in aluminum alloys from processing utilizing severe plastic deformation. Special emphasis is placed on recent studies of the formation of segregations of alloying elements at grain boundaries in UFG Al alloys and their influence on the development of grain boundary sliding and manifestation of low-temperature superplasticity. In addition, the current status and innovative potential of low-temperature superplasticity in aluminum alloys are observed.

Sedimentation of a Charged Soft Sphere within a Charged Spherical Cavity.

The sedimentation of a soft particle composed of an uncharged hard sphere core and a charged porous surface layer inside a concentric charged spherical cavity full of a symmetric electrolyte solution is analyzed in a quasi-steady state. By using a regular perturbation method with small fixed charge densities of the soft sphere and cavity wall, a set of linearized electrokinetic equations relevant to the fluid velocity field, electrical potential profile, and ionic electrochemical potential energy distributions are solved. A closed-form formula for the sedimentation velocity of the soft sphere is obtained as a function of the ratios of core-to-particle radii, particle-to-cavity radii, particle radius-to-Debye screening length, and particle radius-to-porous layer permeation length. The existence of the surface charge on the cavity wall increases the settling velocity of the charged soft sphere, principally because of the electroosmotic enhancement of fluid recirculation within the cavity induced by the sedimentation potential gradient. When the porous layer space charge and cavity wall surface charge have the same sign, the particle velocity is generally enhanced by the presence of the cavity. When these fixed charges have opposite signs, the particle velocity will be enhanced/reduced by the presence of the cavity if the wall surface charge density is sufficiently large/small relative to the porous layer space charge density in magnitude. The effect of the wall surface charge on the sedimentation of the soft sphere increases with decreases in the ratios of core-to-particle radii, particle-to-cavity radii, and particle radius-to-porous layer permeation length but is not a monotonic function of the ratio of particle radius-to-Debye length.

A Heterogeneous Viscosity Flow Model for Liquid Transport through Nanopores Considering Pore Size and Wettability.

The confinement effect in micro- and nanopores gives rise to distinct flow characteristics in fluids. Clarifying the fluid migration pattern in confined space is crucial for understanding and explaining the abnormal flow phenomena in unconventional reservoirs. In this study, flow characteristics of water and oil in alumina nanochannels were investigated with diameters ranging from 21 nm to 120 nm, and a heterogeneous viscosity flow model considering boundary fluid was proposed. Compared with the prediction of the HP equation, both types of fluids exhibit significant flow suppression in nanochannels. As the channel size decreases, the deviation degree increases. The fluid viscosity of the boundary region displays an upward trend as the channel size decreases and the influence of the interaction between the liquid and solid walls intensifies. The thickness of the boundary region gradually decreases with increasing pressure and eventually reaches a stable value, which is primarily determined by the strength of the interaction between the liquid and solid surfaces. Both the pore size and wettability are essential factors that affect the fluid flow. When the space scale is extremely small, the impact of wettability becomes more pronounced. Finally, the application of the heterogeneous flow model for permeability evaluation has yielded favorable fitting results. The model is of great significance for studying the fluid flow behavior in unconventional reservoirs.

Simulating blood accumulation with improved smoothed particle hydrodynamics in surgical simulation system.

BACKGROUND: Blood accumulation often occurs during bleeding in surgery. Simulating the blood accumulation in surgical simulation system not only enhances the realism and immersion of surgical training, but also helps researchers better understand the physical properties of blood flow. METHODS: To realistically simulate the blood accumulation during the bleeding, this paper proposes a novel kernel function with non-negative second derivatives to improve the SPH method. Meanwhile, a simple form of boundary force equation is constructed to impose the solid boundary condition. RESULTS: We simulate the blood accumulation during liver bleeding and vessel bleeding respectively in the surgical simulation system. The simulation results show that there is no occurrence of blood physically penetrating the boundary. CONCLUSIONS: Applying the solid boundary condition to the blood by using the method proposed in this paper is not only convenient but can also eliminate compression instability in the blood accumulation simulation.

Thin inclusion at the junction of two elastic bodies: non-coercive case.

This article addresses an analysis of the non-coercive boundary value problem describing an equilibrium state of two contacting elastic bodies connected by a thin elastic inclusion. Nonlinear conditions of inequality type are imposed at the joint boundary of the bodies providing a mutual non-penetration. As for conditions at the external boundary, they are Neumann type and imply the non-coercivity of the problem. Assuming that external forces satisfy suitable conditions, a solution existence of the problem analysed is proved. Passages to limits are justified as the rigidity parameters of the inclusion and the elastic body tend to infinity.This article is part of the theme issue 'Non-smooth variational problems with applications in mechanics'.

Solvability analysis for the Boussinesq model of heat transfer under the nonlinear Robin boundary condition for the temperature.

We consider the new boundary value problem for the generalized Boussinesq model of heat transfer under the inhomogeneous Dirichlet boundary condition for the velocity and under mixed boundary conditions for the temperature. It is assumed that the viscosity, thermal conductivity and buoyancy force in the model equations, as well as the heat exchange boundary coefficient, depend on the temperature. The mathematical apparatus for studying the inhomogeneous boundary value problem under study based on the variational method is being developed. Using this apparatus, we prove the main theorem on the global existence of a weak solution of the mentioned boundary value problem and establish sufficient conditions for the problem data ensuring the local uniqueness of the weak solution that has the additional property of smoothness with respect to temperature. This article is part of the theme issue 'Non-smooth variational problems with applications in mechanics'.