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We present a new Progressive Hedging Algorithm to solve Stochastic Variational Inequalities in the formulation introduced by Rockafellar and Wets in 2017, allowing the generated subproblems to be approximately solved with an implementable tolerance condition. Our scheme is based on Inexact Proximal Point methods and generalizes the exact algorithm developed by Rockafellar and Sun in 2019, providing stronger convergence results. We also show some numerical experiments in two-stage Nash games.

It is well known that disordered relaxor ferroelectrics exhibit local polar correlations. The origin of localized fields that disrupt long range polar order for different substitution types, however, is unclear. Currently, it is known that substituents of the same valence as Ti4+ at the B-site of barium titanate lattice produce random disruption of Ti-O-Ti chains that induces relaxor behavior. On the other hand, investigating lattice disruption and relaxor behavior resulting from substituents of different valence at the B-site is more complex due to the simultaneous occurrence of charge imbalances and displacements of the substituent cation. The existence of an effective charge mediated mechanism for relaxor behavior appearing at low (< 10%) substituent contents in heterovalent modified barium titanate ceramics is presented in this work. These results will add credits to the current understanding of relaxor behavior in chemically modified ferroelectric materials and also acknowledge the critical role of defects (such as cation vacancies) in lattice disruption, paving the way for chemistry-based materials design in the field of dielectric and energy storage applications.

The coupled problem of hydrodynamics and solute transport for the Najafi-Golestanian three-sphere swimmer is studied, with the Reynolds number set to zero and P\'eclet numbers (Pe) ranging from 0.06 to 60. The adopted method is the numerical simulation of the problem with a finite element code based upon the FEniCS library. For the swimmer executing the optimal locomotion gait, we report the Sherwood number as a function of Pe in homogeneous fluids and confirm that little gain in solute flux is achieved by swimming unless Pe is significantly larger than 10. We also consider the swimmer as an learning agent moving inside a fluid that has a concentration gradient. The outcomes of Q-learning processes show that learning locomotion (with the displacement as reward) is significantly easier than learning chemotaxis (with the increase of solute flux as reward). The chemotaxis problem, even at low Pe, has a varying environment that renders learning more difficult. Further, the learning difficulty increases severely with the P\'eclet number. The results demonstrate the challenges that natural and artificial swimmers need to overcome to migrate efficiently when exposed to chemical inhomogeneities., Comment: 20 pages, 13 figures. Submitted to "Communications in Nonlinear Science and Numerical Simulation"

Nonclassical light sources are highly sought after as they are an integral part of quantum communication and quantum computation devices. Typical sources rely on bulk crystals that are not compact and have limited bandwidth due to phase-matching conditions. In this work, we demonstrate the generation of photon pairs from a free-standing lithium niobate microcube at the telecommunication wavelength through the spontaneous parametric down-conversion process. The maximum photon pair generation rate obtained from a single microcube with the size of ~4 microns is ~80 Hz, resulting in an efficiency of ~1.2 GHz/Wm per unit volume, which is an order of magnitude higher than the efficiency of photon-pair generation in bulky nonlinear crystals. The microcubes are synthesized through a solvothermal method, offering the possibility for scalable devices via bottom-up assembly. Our work constitutes an important step forward in the realization of compact nonclassical light sources with broadband tunability for various applications in quantum communication, quantum computing, and quantum metrology., Comment: 19 pages, 4 figures

We propose a finite element method for simulating one-dimensional solid models moving and experiencing large deformations while immersed in generalized Newtonian fluids. The method is oriented towards applications involving microscopic devices or organisms in the soft-bio-matter realm. By considering that the strain energy of the solid may explicitly depend on time, we incorporate a mechanism for active response. The solids are modeled as Cosserat rods, a detailed formulation being provided for the special case of a planar non-shearable rod. The discretization adopts one-dimensional Hermite elements for the rod and low-order Lagrange two-dimensional elements for the fluid's velocity and pressure. The fluid mesh is boundary-fitted, with remeshing at each time step. Several time marching schemes are studied, of which a semi-implicit scheme emerges as most effective. The method is demonstrated in very challenging examples: the roll-up of a rod to circular shape and later sudden release, the interaction of a soft rod with a fluid jet and the active self-locomotion of a sperm-like rod. The article includes a detailed description of a code that implements the method in the Firedrake library.

In the presence of strong heterogeneities, it is well known that the use of explicit schemes for the transport of species in a porous medium suffers from severe restrictions on the time step. This has led to the development of implicit schemes that are increasingly favoured by practitioners for their computational efficiency. The transport equation requires knowledge of the velocity field, which results from an elliptic problem (Darcy problem) that is the most expensive part of the computation. When considering large reservoirs, a cost-effective way of approximating the Darcy problems is using multiscale domain decomposition (MDD) methods. They allow for the pressure and velocity fields to be computed on coarse meshes (large scale), while detailed basis functions are defined locally, usually in parallel, in a much finer grid (small scale). In this work we adopt the Multiscale Robin Coupled Method (MRCM, [Guiraldello, et al., J. Comput. Phys., 355 (2018) pp. 1-21], [Rocha, et al., J. Comput. Phys., (2020) 109316]), which is a generalization of previous MDD methods that allows for great flexibility in the choice of interface spaces. In this article we investigate the combination of the MRCM with implicit transport schemes. A sequentially implicit strategy is proposed, with different trust-region algorithms ensuring the convergence of the transport solver. The method is assessed on several very stringent 2D two-phase problems, demonstrating its stability even for large time steps. It is also shown that the best accuracy is achieved by considering recently introduced non-polynomial interface spaces, since polynomial spaces are not optimal for high-contrast channelized permeability fields., Comment: 41 pages, 23 figures. Submitted to Elsevier

A three dimensional parallel implementation of Multiscale Mixed Methods based on non-overlapping domain decomposition techniques is proposed for multi-core computers and its computational performance is assessed by means of numerical experimentation. As a prototypical method, from which many others can be derived, the Multiscale Robin Coupled Method is chosen and its implementation explained in detail. Numerical results for problems ranging from millions up to more than 2 billion computational cells in highly heterogeneous anisotropic rock formations based on the SPE10 benchmark are shown. The proposed implementation relies on direct solvers for both local problems and the interface coupling system. We find good weak and strong scalalability as compared against a state-of-the-art global fine grid solver based on Algebric Multigrid preconditioning in single and two-phase flow problems., Comment: 25 pages, 12 figures

It is well known that domain-decomposition-based multiscale mixed methods rely on interface spaces, defined on the skeleton of the decomposition, to connect the solution among the non-overlapping subdomains. Usual spaces, such as polynomial-based ones, cannot properly represent high-contrast channelized features such as fractures (high permeability) and barriers (low permeability) for flows in heterogeneous porous media. We propose here new interface spaces, which are based on physics, to deal with permeability fields in the simultaneous presence of fractures and barriers, accommodated respectively, by the pressure and flux spaces. Existing multiscale methods based on mixed formulations can take advantage of the proposed interface spaces, however, in order to present and test our results, we use the newly developed Multiscale Robin Coupled Method (MRCM) [Guiraldello, et al., J. Comput. Phys., 355 (2018) pp. 1-21], which generalizes most well-known multiscale mixed methods, and allows for the independent choice of the pressure and flux interface spaces. An adaptive version of the MRCM [Rocha, et al., J. Comput. Phys., 409 (2020), 109316] is considered that automatically selects the physics-based pressure space for fractured structures and the physics-based flux space for regions with barriers, resulting in a procedure with unprecedented accuracy. The features of the proposed approach are investigated through several numerical simulations of single-phase and two-phase flows, in different heterogeneous porous media. The adaptive MRCM combined with the interface spaces based on physics provides promising results for challenging problems with the simultaneous presence of fractures and barriers., Comment: 42 pages, 26 figures. Submitted to Elsevier

Homogeneous and isotropic turbulent fields obtained from two DNS databases (with $\mbox{Re}_\lambda$ equal to 150 and 418) were seeded with point particles that moved with the local fluid velocity to obtain Lagrangian pressure histories. Motivated by cavitation inception modeling, the statistics of events in which such particles undergo low-pressure fluctuations were computed, parameterized by the amplitude of the fluctuations and by their duration. The main results are the average frequencies of these events and the probabilistic distribution of their duration, which are of predictive value. A connection is also established between these average frequencies and the pressure probability density function, thus justifying experimental methods proposed in the literature. Further analyses of the data show that the occurrence of very-low-pressure events is highly intermittent and is associated with worm-like vortical structures of length comparable to the integral scale of the flow.

The Piston-Ring-Liner system is the main tribological component of internal combustion engines. The Elrod-Adams model is customarily used to numerically assess the hydrodynamics of different ring designs and liner surface treatments. However, that model does not incorporate the backpressure boundary condition, which in this case corresponds to the combustion chamber pressure and is quite significant. In this contribution a model is proposed that imposes the combustion-chamber pressure in a mass-conserving way, together with an effective algorithm for its numerical approximation. The new model incorporates the pressure difference across the ring, which is shown to have a substantial effect on the predicted friction force and MFT. The model is further elaborated so as to provide a criterion for predicting blow-by inception., Comment: 10 pages,18 figures

Squirmers are models of a class of microswimmers, such as ciliated organisms and phoretic particles, that self-propel in fluids without significant deformation of their body shape. Available techniques for their simulation are based on the boundary-element method and do not contemplate nonlinearities such as those arising from the fluid's inertia or non-Newtonian rheology. This article describes a methodology to simulate squirmers that overcomes these limitations by using volumetric numerical methods, such as finite elements or finite volumes. It deals with interface conditions at the squirmer's surface that generalize those in the published literature. The actual procedures to be performed on a fluid solver to implement the proposed methodology are provided, including the treatment of metachronal surface waves. Among the several numerical examples, a two-dimensional simulation is shown of the hydrodynamic interaction of two individuals of Opalina ranarum.

The coupling of Reynolds and Rayleigh-Plesset equations has been used in several works to simulate lubricated devices considering cavitation. The numerical strategies proposed so far are variants of a staggered strategy where Reynolds equation is solved considering the bubble dynamics frozen, and then the Rayleigh-Plesset equation is solved to update the bubble radius with the pressure frozen. We show that this strategy has severe stability issues and a stable methodology is proposed. The proposed methodology performance is assessed on two physical settings. The first one concerns the propagation of a decompression wave along a fracture considering the presence of cavitation nuclei. The second one is a typical journal bearing, in which the coupled model is compared with the Elrod-Adams model., Comment: 26 pages, 19 figures

Micro- and nanoscale objects with anisotropic shape are key components of a variety of biological systems and inert complex materials, and represent fundamental building blocks of novel self-assembly strategies. The time scale of their thermal motion is set by their translational and rotational diffusion coefficients, whose measurement may become difficult for relatively large particles with small optical contrast. Here we show that Dark Field Differential Dynamic Microscopy is the ideal tool for probing the roto-translational Brownian motion of shape anisotropic particles. We demonstrate our approach by successful application to aqueous dispersions of non-motile bacteria and of colloidal aggregates of spherical particles.

The goal of this work is studying the evolution of thermoelectric transport across the members of the Ruddlesden-Popper series iridates Srn+1IrnO3n+1, where a metal-insulator transition driven by bandwidth change occurs, from the strongly insulating Sr2IrO4 to the metallic non Fermi liquid behavior of SrIrO3. Sr2IrO4 (n=1), Sr3Ir2O7 (n=2) and SrIrO3 (n=inf.) polycrystals are synthesized at high pressure and characterized by structural, magnetic, electric and thermoelectric transport analyses. We find a complex thermoelectric phenomenology in the three compounds. Thermal diffusion of charge carriers accounts for the Seebeck behavior of Sr2IrO4, whereas additional drag mechanisms come into play in determining the Seebeck temperature dependence of Sr3Ir2O7 and SrIrO3. These findings reveal close relationship between magnetic, electronic and thermoelectric properties, strong coupling of charge carriers with phonons and spin fluctuations as well as relevance of multiband description in these compounds., Comment: main paper + supplementary information

The present article reports a method for the average grain size evaluation of superconducting nano-particles through their magnetic properties. The use of SQUID magnetometry to determine the average MgB2 particle size was investigated and the results compared with those achieved through other techniques. In particular the data obtained from zero field cooled magnetization measurement as function of the temperature were compared with the results obtained by scanning electron microscopy and Brunauer-Emmett-Teller techniques. The particle magnetization was measured by a commercial SQUID magnetometer in magnetic field (1 mT) and temperatures ranging from 5 to 50 K dispersing the powders in a grease medium. The grain size is obtained by fitting the data taking into account the Ginzburg-Landau temperature dependence of the London penetration depth. Variations on typical modeling parameters were explored in order to gain a better picture of the average grain size and the effectiveness of various measurement techniques. We find that it is possible to use the magnetization measurements to determine the average grain size even if the SEM image analysis allows extracting more information about the grain size distribution. Furthermore a Matlab routine has been developed in order to get automatic analysis of SEM images., Comment: 12 pages, 10 figures, 5 tables

The rotational instability of the electric polarization P during phase transformations between ferroelectric phases is of great practical interest, since it may be accompanied by extremely large values of the piezoelectric coefficient, and a divergence of the coupled shear compliance contributes to such enhancements. In the literature, this had been explicitly calculated in the framework of the Landau theory and discussed with specific numerical simulations involving tetragonal, orthorhombic and rhombohedral ferroelectric phases. When monoclinic phases are involved, such an approach is practically impossible, and an approximated treatment had been proposed, based on the observation that in those cases there are shear strains almost linearly coupled to the transverse component of P, implying a divergence of the Curie-Weiss type in the associated compliances. Here the argument is extended to the general case of transitions whose major effect is a rotation of the polarization, and the limits of its validity are discussed. As experimental verification, the elastic response of BaTiO3 is measured and analyzed, together with those of other ferroelectric perovskites available in the literature, like KNN.

Surface incompressibility, also called inextensibility, imposes a zero-surface-divergence constraint on the velocity of a closed deformable material surface. The well-posedness of the mechanical problem under such constraint depends on an inf-sup or stability condition for which an elementary proof is provided. The result is also shown to hold in combination with the additional constraint of preserving the enclosed volume, or isochoricity. These continuous results are then applied to prove a modified discrete inf-sup condition that is crucial for the convergence of stabilized finite element methods., Comment: Short communication

We propose a robust simulation method for phospholipid membranes. It is based on a mixed three-field formulation that accounts for tangential fluidity (Boussinesq-Scriven law), bending elasticity (Canham-Helfrich model) and inextensibility. The unknowns are the velocity, vector curvature and surface pressure fields, all of which are interpolated with linear continuous finite elements. The method is semi-implicit - it requires the solution of a single linear system per time step. Conditional time stability is observed, with a time step restriction that scales as the square of the mesh size. Mesh quality and refinement are maintained by adaptively remeshing. Another ingredient is a numerical force that emulates the action of an optical tweezer, allowing for virtual interaction with the membrane. Extensive relaxation experiments are reported. Comparisons to exact shapes reveal the orders of convergence for position (5/3), vector curvature (3/2), surface pressure (1) and bending energy (2). Tweezing experiments are also presented. Convergence to the exact dynamics of a cylindrical tether is confirmed. Further tests illustrate the robustness of the method (six tweezers acting simultaneously) and the significance of viscous effects on membrane deformation under external forces.

Broadband dielectric spectroscopy from Hz up to the infrared (IR) range and temperature interval 10-300 K was carried out for xBaZrO3-(1-x)BaTiO3 (BZT-x, x = 0.6, 0.7, 0.8) solid solution ceramics and compared with similar studies for x = 0, 0.2, 0.4, 1 ceramics published recently (Phys. Rev. B 86, 014106 (2012)). Rather complex IR spectra without appreciable mode softening are ascribed to Last-Slater transverse optic (TO) phonon eigenvector mixing and possible two-mode mixed crystal behavior. Fitting of the complete spectral range requires a relaxation in the 100 GHz range for all the samples. Below 1 GHz another relaxation appears, which is thermally activated and obeys the same Arrhenius behavior for all the relaxor BZT samples. The frequently reported Vogel-Fulcher behavior in BZT relaxors is shown to be an artifact of the evaluation from the permittivity or loss vs. temperature dependences instead of its evaluation from loss vs. frequency maxima. The relaxation is assigned to local hopping of the off-centered Ti4+ ions in the frozen BTO clusters, whose size is rather small and cannot grow on cooling. Therefore BZT is to be considered as a dipolar glass rather than relaxor ferroelectric., Comment: subm. to Ferroelectrics

When two immiscible liquids that coexist inside a porous medium are drained through an opening, a complex flow takes place in which the interface between the liquids moves, tilts and bends. The interface profiles depend on the physical properties of the liquids and on the velocity at which they are extracted. If the drainage flow rate, the liquids volume fraction in the drainage flow and the physical properties of the liquids are known, the interface angle in the immediate vicinity of the outlet (theta) can be determined. In this work, we define four nondimensional parameters that rule the fluid dynamical problem and, by means of a numerical parametric analysis, an equation to predict theta is developed. The equation is verified through several numerical assessments in which the parameters are modified simultaneously and arbitrarily. In addition, the qualitative influence of each nondimensional parameter on the interface shape is reported., Comment: 7 pages, 12 figures