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Coronary obstruction is a complication that may affect patients receiving Transcatheter Aortic Valve Replacement (TAVR), with catastrophic consequences and long-term negative effects. To enable healthy coronary perfusion, it is fundamental to appropriately position the device with respect to the coronary ostia. Nonetheless, most TAVR delivery systems do not control commissural alignment to do so. Moreover, no in silico study has directly assessed the effect of commissural alignment on coronary perfusion. This work aims to evaluate the effect of TAVR commissural alignment on coronary perfusion and device performance. A two-way computational fluid-structure interaction model is used to predict coronary perfusion at different commissural alignments. Moreover, in each scenario, hemodynamic biomarkers are evaluated to assess device performance. Commissural misalignment is shown to reduce the total coronary perfusion by − 3.2 % and the flow rate to a single coronary branch by − 6.8 %. It is also observed to impair valvular function by reducing the systolic geometric orifice area by − 2.5 % and increasing the systolic transvalvular pressure gradients by + 5.3 % and the diastolic leaflet stresses by + 16.0 %. The present TAVR patient model indicates that coronary perfusion, hemodynamic and structural performance are minimized when the prosthesis commissures are fully misaligned with the native ones. These results support the importance of enabling axial control in new TAVR delivery catheter systems and defining recommended values of commissural alignment in upcoming clinical treatment guidelines. • A fluid-structure interaction model of TAVRs was used to analyze the effect of commissural alignment on coronary perfusion. • Commissural misalignment reduced total coronary perfusion by -3.2% and up to -6.8% in a single coronary outlet. • No significant effects of commissural alignment on thrombogenic risk were observed. • Misalignment reduced the systolic orifice area by -2.5% and increased transvalvular pressure gradients by +5.3%. • Results support the importance of enabling axial control in novel TAVR catheter delivery systems. [ABSTRACT FROM AUTHOR]

The main computing phases of numerical methods for solving partial differential equations are the algebraic system assembly and the iterative solver. This work focuses on the first task, in the context of a hybrid MPI+X paradigm. The matrix assembly consists of a loop over the elements, faces, edges or nodes of the MPI partitions to compute element matrices and vectors and then of their assemblies. In a MPI+X hybrid parallelism context, X has consisted traditionally of loop parallelism using OpenMP, with different techniques to avoid the race condition, but presenting efficiency or implementation drawbacks. We propose an alternative, based on task parallelism using some extensions to the OpenMP programming model. In addition, dynamic load balance will be applied, especially efficient in the presence of hybrid meshes. This paper presents the proposed methodology, its implementation and its validation through the solution of large computational mechanics problems up to 16k cores. [ABSTRACT FROM AUTHOR]

This work presents a parallel numerical strategy to transport Lagrangian particles in a fluid using a dynamic load balance strategy. Both fluid and particle solvers are parallel, with two levels of parallelism. The first level is based on a substructuring technique and uses message passing interface (MPI) as the communication library; the second level consists of OpenMP pragmas for loop parallelisation at the node level. When dealing with transient flows, there exist two main alternatives to address the coupling of these solvers. On the one hand, a single-code approach consists in solving the particle equations once the fluid solution has been obtained at the end of a time step, using the same instance of the same code. On the other hand, a multi-code approach enables one to overlap the transport of the particles with the next time-step solution of the fluid equations, and thus obtain asynchronism. In this case, different codes or two instances of the same code can be used. Both approaches will be presented. In addition, a dynamic load balancing library is used on the top of OpenMP pragmas in order to continuously exploit all the resources available at the node level, thus increasing the load balance and the efficiency of the parallelisation and uses the MPI. [ABSTRACT FROM AUTHOR]

This work intends to study the effect of aortic annulus eccentricity and leaflet rigidity on the performance, thrombogenic risk and calcification risk in bioprosthetic aortic valve replacements (BAVRs). To address these questions, a two‐way immersed fluid–structure interaction (FSI) computational model was implemented in a high‐performance computing (HPC) multi‐physics simulation software, and validated against a well‐known FSI benchmark. The aortic valve bioprosthesis model is qualitatively contrasted against experimental data, showing good agreement in closed and open states. Regarding the performance of BAVRs, the model predicts that increasing eccentricities yield lower geometric orifice areas (GOAs) and higher normalized transvalvular pressure gradients (TPGs) for healthy cardiac outputs during systole, agreeing with in vitro experiments. Regions with peak values of residence time are observed to grow with eccentricity in the sinus of Valsalva, indicating an elevated risk of thrombus formation for eccentric configurations. In addition, the computational model is used to analyze the effect of varying leaflet rigidity on both performance, thrombogenic and calcification risks with applications to tissue‐engineered prostheses. For more rigid leaflets it predicts an increase in systolic and diastolic TPGs, and decrease in systolic GOA, which translates to decreased valve performance. The peak shear rate and residence time regions increase with leaflet rigidity, but their volume‐averaged values were not significantly affected. Peak solid stresses are also analyzed, and observed to increase with rigidity, elevating risk of valve calcification and structural failure. To the authors' knowledge this is the first computational FSI model to study the effect of eccentricity or leaflet rigidity on thrombogenic biomarkers, providing a novel tool to aid device manufacturers and clinical practitioners. [ABSTRACT FROM AUTHOR]

The variational multiscale (VMS) method sets a general framework for stabilization methods. By splitting the exact solution into coarse (grid) and fine (subgrid) scales, one can obtain a system of two equations for these unknowns. The grid scale equation is solved using the Galerkin method and contains an additional term involving the subgrid scale. At this stage, several options are usually considered to deal with the subgrid scale equation: this includes the choice of the space where the subgrid scale would be defined as well as the simplifications leading to compute the subgrid scale analytically or numerically. The present study proposes to develop a two-scale variational method for the advection–diffusion–reaction equation. On the one hand, a family of weak forms are obtained by integrating by parts a fraction of the advection term. On the other hand, the solution of the subgrid scale equation is found using the following. First, a two-scale variational method is applied to the one-dimensional problem. Then, a series of approximations are assumed to solve the subgrid space equation analytically. This allows to devise expressions for the ‘stabilization parameter’ τ, in the context of VMS (two-scale) method. The proposed method is equivalent to the traditional Green's method used in the literature to solve residual-free bubbles, although it offers another point of view, as the strong form of the subgrid scale equation is solved explicitly. In addition, the authors apply the methodology to high-order elements, namely quadratic and cubic elements. The proposed model consists in assuming that the subgrid scale vanishes also on interior nodes of the element and applying the strategy used for linear element in the segment between these interior nodes. The proposed scheme is compared with existing ones through the solution of a one-dimensional numerical example for linear, quadratic and cubic elements. In addition, the mesh convergence is checked for high-order elements through the solution of an exact solution in two dimensions. Copyright © 2008 John Wiley & Sons, Ltd. [ABSTRACT FROM AUTHOR]

Abstract: In this paper we propose a method to approximate flow problems in moving domains using always a given grid for the spatial discretization, and therefore the formulation to be presented falls within the category of fixed-grid methods. Even though the imposition of boundary conditions is a key ingredient that is very often used to classify the fixed-grid method, our approach can be applied together with any technique to impose approximately boundary conditions, although we also describe the one we actually favor. Our main concern is to properly account for the advection of information as the domain boundary evolves. To achieve this, we use an arbitrary Lagrangian–Eulerian framework, the distinctive feature being that at each time step results are projected onto a fixed, background mesh, that is where the problem is actually solved. [Copyright &y& Elsevier]

We present a new overlapping Dirichlet/Robin Domain Decomposition method. The method uses Dirichlet and Robin transmission conditions on the interfaces of an overlapping partitioning of the computational domain. We derive interface equations to study the convergence of the method and show its properties through four numerical examples. The mathematical framework is general and can be applied to derive overlapping versions of all the classical nonoverlapping methods. [Copyright &y& Elsevier]

We present a Chimera method for the numerical solution of incompressible flows past objects in relative motion. The Chimera method is implemented as an iteration-by-subdomain method based on Dirichlet/Neumann(Robin) coupling. The DD method we propose is not only geometric but also algorithmic, for the solution on each subdomain is obtained on separate processes and the exchange of information between the subdomains is carried out by a master code. This strategy is very flexible as it requires almost no modification to the original numerical code. Therefore, only the master code has to be adapted to the numerical codes and the strategies used on each subdomain. As a basic flow solver, we a use stabilized finite element method. [Copyright &y& Elsevier]

Communities around the world are increasingly interested in nature-based solutions to the mitigation of coastal risks by coastal forests, but it remains unclear how much protective benefits vegetation provides, particularly in the limit of highly energetic flows after tsunami impact. The current study, using a three-dimensional incompressible computational fluid dynamics model with a fluid–structure interaction approach, aims to quantify how energy reflection and dissipation vary with different degrees of rigidity and vegetation density of a coastal forest. We represent tree trunks as cylinders and use the elastic modulus of hardwood trees such as pine or oak to characterize the rigidity of these cylinders. The numerical results show that energy reflection increases with rigidity only for a single cylinder. In the presence of multiple cylinders, the difference in energy reflection created by varying rigidity diminishes as the number of cylinders increases. Instead of rigidity, we find that the blockage area created by the presence of multiple tree trunks dominates energy reflection. As tree trunks are deformed by the hydrodynamic forces, they alter the flow field around them, causing turbulent kinetic energy generation in the wake region. As a consequence, trees dissipate flow energy, highlighting coastal forests reducing the onshore energy flux of tsunamis by means of both reflection and dissipation. • The number of tree trunks and the spacing between them are more important for tsunami-risk mitigation than the species-specific properties. • Deflection of tree trunks alters the flow field around them, causing turbulent kinetic energy generation in the wake region. • Coastal forests reduces the onshore energy flux of tsunamis by means of both reflection and dissipation. [ABSTRACT FROM AUTHOR]

The aim of this work was to analyze the influence of sex hormones and anatomical details (trabeculations and false tendons) on the electrophysiology of healthy human hearts. Additionally, sex- and anatomy-dependent effects of ventricular tachycardia (VT) inducibility are presented. To this end, four anatomically normal, human, biventricular geometries (two male, two female), with identifiable trabeculations, were obtained from high-resolution, ex-vivo MRI and represented by detailed and smoothed geometrical models (with and without the trabeculations). Additionally one model was augmented by a scar. The electrophysiology finite element model (FEM) simulations were carried out, using O'Hara-Rudy human myocyte model with sex phenotypes of Yang and Clancy. A systematic comparison between detailed vs smooth anatomies, male vs female normal hearts was carried out. The heart with a myocardial infarction was subjected to a programmed stimulus protocol to identify the effects of sex and anatomical detail on ventricular tachycardia inducibility. All female hearts presented QT-interval prolongation however the prolongation interval in comparison to the male phenotypes was anatomy-dependent and was not correlated to the size of the heart. Detailed geometries showed QRS fractionation and increased T-wave magnitude in comparison to the corresponding smoothed geometries. A variety of sustained VTs were obtained in the detailed and smoothed male geometries at different pacing locations, which provide evidence of the geometry-dependent differences regarding the prediction of the locations of reentry channels. In the female phenotype, sustained VTs were induced in both detailed and smooth geometries with RV apex pacing, however no consistent reentry channels were identified. Anatomical and physiological cardiac features play an important role defining risk in cardiac disease. These are often excluded from cardiac electrophysiology simulations. The assumption that the cardiac endocardium is smooth may produce inaccurate predictions towards the location of reentry channels in in-silico tachycardia inducibility studies. [ABSTRACT FROM AUTHOR]

We present a novel meshing and simulation approach for wind farms, featuring realignment and mesh adaptation. The turbines are modeled with actuator discs, which are discretized by means of an adaptation process to represent a level set function. The level-set-based simulation framework is combined with an adaptation cycle to capture both the solution and the actuator discs. In addition, we devise a turbine realignment process which takes into account the actual flow in the actuator disc configuration. Several results are presented to highlight the features of the approach. First, the adaptive simulation approach is validated, fulfilling the theoretical convergence rates and improving the accuracy of the boundary tight representations. Second, the adaptive simulation process is applied to a full wind farm configuration featuring 219 turbines, illustrating that is it well devised for complex wind farm configurations. Third, the turbine reorientation process is validated in a one turbine scenario. Finally, the realignment simulation framework is applied in a wind farm featuring 115 turbines. The presented results outline the significance of the proposed work, enabling turbine realignment and mesh adaptation to perform accurate simulations of complex wind farm configurations. [ABSTRACT FROM AUTHOR]

This paper introduces a preconditioned variational multiscale stabilization (P-VMS) method for compressible flows. In this introductory paper we focus on inviscid flow and steady state problems. The Euler equations are solved on fully unstructured grids and discretized using the finite element method. The P-VMS method can be decomposed into three parts. First, a local preconditioner is applied to the continuous equations to reduce the stiffness while covering a wide range of Mach numbers. Then, the resulting preconditioned system is discretized in space using finite elements and stabilized with a variational multiscale stabilization method adapted for the preconditioned equations. In this paper, the solution is advanced in time using a fully explicit time discretization, although P-VMS is general and can be applied to fully implicit solvers. The proposed method is assessed by comparing convergence and accuracy of the solutions between the non-preconditioned and preconditioned cases, in particular for van Leer–Lee–Roe ’s (1991) and Choi-Merkle ’s (1993) preconditioners, in some selected examples covering a large range of Mach numbers. [ABSTRACT FROM AUTHOR]

Numerous tsunami numerical models have been proposed, but their prediction accuracies have not been directly compared. For quantifying the modeling uncertainties, the authors statistically analyzed the prediction results submitted by participants in the tsunami blind contest held at the 17th World Conference on Earthquake Engineering. The reproducibility of offshore water level generated due to the tsunami with soliton fission significantly decreased when the nonlinear shallow water equation models (NSWE) was used compared to three-dimensional (3D) models. The inundation depth was reproduced well in 3D models. However, the reproducibility of wave forces acting on the structure and velocities over land was lower in 3D models than that in NSWE models. For cases where the impulsive tsunami wave pressure generated could not be calculated based on the hydrostatic assumption, the prediction accuracy of the NSWE models was higher than that of the 3D models. The prediction accuracies of both models were not improved at small grid-cell sizes. The NSWE model cannot simulate the short-wave component and vertical pressure distribution. Therefore, further developments in 3D models and smoothed particle hydrodynamics methods (SPH) are needed. The presented results contribute to the future development of tsunami numerical simulation tools. [ABSTRACT FROM AUTHOR]

High fidelity simulations of expiratory events such as coughing provide the opportunity to predict the fate of the droplets from the turbulent jet cloud produced from a cough. It is well established that droplets carrying infectious pathogens with diameters of 1 – 5 μ m remain suspended in the air for several hours and transported by the air currents over considerable distances (e.g., in meters). This study used a highly resolved mesh to capture the multiphase turbulent buoyant cloud with suspended droplets produced by a cough. The cough droplets' dispersion was subjected to thermal gradients and evaporation and allowed to disperse between two humans standing 2 m apart. A nasal cavity anatomy was included inside the second human to determine the inhaled droplets. Three diameter ranges characterized the droplet cloud, < 5 μ m , which made up 93% of all droplets by number; 5 to 100 μm comprised 3%, and > 100 μ m comprising 4%. The results demonstrated the temporal evolution of the cough event, where a jet is first formed, followed by a thermally driven puff cloud with the latter primarily composed of droplets under 5 μm diameter, moving with a vortex string structure. After the initial cough, the data were interpolated onto a more coarse mesh to allow the simulation to cover ten minutes, equivalent to 150 breathing cycles. We observe that the critical diameter size susceptible to inhalation was 0.5 μ m , although most inhaled droplets after 10 min by the second human were approximately 0.8 μ m. These observations offer insight into the risk of airborne transmission and numerical metrics for modeling and risk assessment. [ABSTRACT FROM AUTHOR]

• A radiation transport solver describing neutronic transport is introduced. • The model is used to reproduce shielding benchmarks included in SINBAD database. • The solver is included as a module into the high-performance computational mechanics code ALYA. • The results obtained achieved good accuracy over extended domains. • This implementation in Alya will allow coupling of radiation transport with thermo-mechanical solutions in large domains. We present significant improvements and validations of a deterministic neutron transport code (NEUTRO) dedicated to solving the Boltzmann Transport Equation. The code is integrated as a module in the Alya software package developed by the Barcelona Supercomputing Center which uses the Discrete Ordinates Method on angular coordinates, multi-group for energy discretization and FEM on unstructured meshes to treat special complex domains. The anisotropy of the scattering medium is introduced into the scattering kernel using real base expressions for spherical harmonics. In order to build the total cross-section and the respective group matrix for the elastic cross-section, we use the NJOY code. We test the solver using different geometries, orders of integration for the angular discretization and number of energy groups. Finally, we compare our results against benchmarks obtained from an NEA database that reported measurements of leakage spectra of several materials. [ABSTRACT FROM AUTHOR]

For complex engineering and scientific applications, Computational Fluid Dynamics (CFD) simulations require a huge amount of computational power. As such, it is of paramount importance to carefully assess the performance of CFD codes and to study them in depth for enabling optimisation and portability. In this paper, we study three complex CFD codes, OpenFOAM, Alya and CHORUS representing two numerical methods, namely the finite volume and finite-element methods, on both structured and unstructured meshes. To all codes, we apply a generic performance analysis method based on a set of metrics helping the code developer in spotting the critical points that can potentially limit the scalability of a parallel application. We show the root cause of the performance bottlenecks studying the three applications on the MareNostrum4 supercomputer. We conclude providing hints for improving the performance and the scalability of each application. [ABSTRACT FROM AUTHOR]

• The Integral Length Scale Approximation Subfilter Scale Model is applied to separated flows. • A procedure to determine the model constant is proposed. • A low-dissipation finite-element method is used. • The model accounts for interactions between numerical error and turbulence modelling errors. • Flows over a sphere and an Ahmed body are computed, and good agreement with the data is obtained. A new model for the unresolved stresses in large-eddy simulations was recently proposed by Piomelli et al. [J Fluid Mech 2015; 766:499–527] and Rouhi et al., [Phys Rev Fluids 2016; 1(4):0444011], in which the length scale is not related to the grid size, but determined based on turbulence properties. This model, the Integral Length-Scale Approximation (ILSA), has a single parameter, s τ , which represents the contribution of the unresolved scales to the momentum transport, and is assigned by the user. We test ILSA in complex geometries using a low-dissipation finite-element method, and propose a rational method to determine s τ on the basis of a grid-convergence study. The interaction of the model with the numerical method and grid topology is studied first; then, two cases are considered: the subcritical flow around a sphere, and the flow over the Ahmed body, a simplified car model. In each case calculations are performed using three grids and varying s τ. With a consistent combination of grid size and s τ the statistical results are in very good agreement with DNS data and experimental measurements. The eddy viscosity is insensitive to sudden variation of the mesh size, and the model adjusts to the different dissipation and diffusion characteristics associated with different grid topologies and numerical techniques. [ABSTRACT FROM AUTHOR]

Deposition of polydisperse particles representing nasal spray application in a human nasal cavity was performed under transient breathing profiles of sniffing, constant flow, and breath hold. The LES turbulence model was used to describe the fluid phase. Particles were introduced into the flow field with initial spray conditions, including spray cone angle, insertion angle, and initial velocity. Since nasal spray atomizer design determines the particle conditions, fifteen particle size distributions were used, each defined by a log-normal distribution with a different volume mean diameter (Dv50). Particle deposition in the anterior region was approximately 80% when Dv50 > 50μm, and this decreased to 45% as Dv50 decreased to 10μ m for constant and sniff breathing conditions. The decrease in anterior deposition was countered with increased deposition in the middle and posterior regions. The significance of increased deposition in the middle region for drug delivery shows there is potential for nasal delivered drugs to reach the highly vascularised mucosal walls in the main nasal passages. For multiple targeted deposition sites, an optimisation equation was introduced where deposition results of any two targeted sites could be combined and a weighting between 0 to 1 was applied to each targeted site, representing the relative importance of each deposition site. [ABSTRACT FROM AUTHOR]

Highlights • Presentation of Alya computational mechanics code in the fusion field. • Including a neutronics module within an HPC multiphysics framework. • First benchmark results of the neutron transport module. Abstract Integrated modelling is an important element of tokamak fusion research. It contributes to the interpretation and planning of experiments, validation of theory against experimental results, development of plasma control techniques as well as the design of next step devices. Large efforts continue to be devoted to the integrated modelling of plasma physics effects in a fusion reactor core and have led to significant progress in physics understanding, while tools to model multiphysics phenomena taking place in fusion reactor components such as tritium breeding blankets have not yet reached a similar level of detail and completeness. We are developing a new high performance computing tool for simulating the latter effects. It is based a parallel computational mechanics code Alya which is specially designed for running with high efficiency standards in large scale supercomputers and is capable of solving different physics problems in a coupled way. As first step towards multiphysics simulations of fusion reactor components, we are developing a new neutron transport module based on the deterministic approach for coupling with the existing, implemented physics modules in Alya. This module, together with existing physics implemented in Alya will allow to solve future high fidelity multiphysics and multiscale problems. We present the capabilities of the Alya system and the latest version of the new neutron transport module currently under development. [ABSTRACT FROM AUTHOR]

Targeted nasal drug delivery can provide improved efficacy for drug formulations to be delivered at high efficacy rates. Some parameters that influence drug delivery have a dependency on the patient's technique of administration and the spray device itself. When the different parameters, each having a specific range of values are combined, the combinatory permutations for studying its effects on particle deposition become large. In this study, we combine six input spray parameters (the spray half-cone angle, the mean spray exit velocity, the breakup length from the nozzle exit, the diameter of the nozzle spray device, the particle size, and the sagittal angle of the spray) with a range of values to produce 384 combinations of spray characteristics. This was repeated for three inhalation flow rates of 20, 40, and 60 L/min. To reduce the computational costs of a full transient Large Eddy Simulation flow field, we create a time-averaged frozen field and perform the time integration of particle trajectories through the flow field to determine the particle deposition in four anatomical regions of the nasal cavity (anterior, middle, olfactory and posterior) for each of the 384 spray field. A sensitivity analysis determined the significance of each input variable on the deposition. It was found the particle size distribution significantly affected deposition in the olfactory and posterior regions, while the spray device insertion angle was significant for deposition in the anterior and middle regions. Five machine learning models were evaluated based on 384 cases and it was found that despite the small sample dataset the simulation data was sufficient to provide accurate machine-learning predictions. [Display omitted] [ABSTRACT FROM AUTHOR]

Validating numerical models against experimental models of nasal spray deposition is challenging since many aspects must be considered. That being said, it is a critical step in the product development process of nasal spray devices. This work presents the validation process of a nasal deposition model, which demonstrates a high degree of consistency of the numerical model with experimental data when the nasal cavity is segmented into two regions but not into three. Furthermore, by modelling the flow as stationary, the computational cost is drastically reduced while maintaining quality of particle deposition results. Thanks to this reduction, a sensitivity analysis of the numerical model could be performed, consisting of 96 simulations. The objective was to quantify the impact of four inputs: the spray half cone angle, mean spray exit velocity, breakup length from the nozzle exit and the diameter of the nozzle spray device, on the three quantities of interest: the percentage of the accumulated number of particles deposited on the anterior, middle and posterior sections of the nasal cavity. The results of the sensitivity analysis demonstrated that the deposition on anterior and middle sections are sensitive to injection angle and breakup length, and the deposition on posterior section is only, but highly, sensitive to the injection velocity. [Display omitted] [ABSTRACT FROM AUTHOR]

Validating numerical models against experimental models of nasal spray deposition is challenging since many aspects must be considered. That being said, it is a critical step in the product development process of nasal spray devices. This work presents the validation process of a nasal deposition model, which demonstrates a high degree of consistency of the numerical model with experimental data when the nasal cavity is segmented into two regions but not into three. Furthermore, by modelling the flow as stationary, the computational cost is drastically reduced while maintaining quality of particle deposition results. Thanks to this reduction, a sensitivity analysis of the numerical model could be performed, consisting of 96 simulations. The objective was to quantify the impact of four inputs: the spray half cone angle, mean spray exit velocity, breakup length from the nozzle exit and the diameter of the nozzle spray device, on the three quantities of interest: the percentage of the accumulated number of particles deposited on the anterior, middle and posterior sections of the nasal cavity. The results of the sensitivity analysis demonstrated that the deposition on anterior and middle sections are sensitive to injection angle and breakup length, and the deposition on posterior section is only, but highly, sensitive to the injection velocity. [Display omitted] [ABSTRACT FROM AUTHOR]

The nasal valve is the narrowest part of the nasal airway which is responsible for the largest part of the nasal resistance. Even little changes in the aperture can affect the flow downstream through the nose significantly. Its principal function is to limit airflow for example during a rapid and short inhalation, also called a sniff. Coupling Computational Fluid Dynamics (CFD) with Fluid–Structure Interaction (FSI) allows solving and exchanging force and displacement between the solid and fluid domains and offers a more accurate representation of the physical system in confined flow cases. Furthermore, particle transport and deposition are performed in this study to reveal the effect of the complex coupling on the nasal cavity deposition of inhaled aerosols. Two different configurations are used to model the nasal valve and differences in magnitudes in deformations are observed during the sniff. A comparison between FSI results and the in-vivo evaluation of the deformation shows an acceptable agreement as to the first step of validation. In addition, the results demonstrated that FSI increases significantly the particle deposition in the nasal cavity and the micro-particle diameter is the critical range parameter to enhance deposition with nasal valve deformation during a sniff. • The results demonstrated that FSI increases significantly the particle deposition in the nasal cavity. • The micro-particle diameter is the critical range parameter to enhance deposition with nasal valve deformation during a sniff. • The Comparison between FSI results and the in-vivo evaluation of the deformation shows an acceptable agreement as first step of validation. [ABSTRACT FROM AUTHOR]

The results of a Fourier stability analysis of the preconditioned variational multiscale stabilization (P-VMS) method introduced in Moragues et al. (2015) are presented in this paper. P-VMS combines a variational multiscale stabilized finite elements discretization together with local preconditioning. In this work, we deal with the P-VMS method using van Leer–Lee–Roe ’s (vanLeer et al., 1991) and Choi–Merkle ’s (Choi and Merkle, 1993) local preconditioners. We solve the Euler equations of compressible flow for steady problems. We concentrate on explicit time integration schemes. The stability analysis is performed on a two dimensional simplified problem with a structured mesh and its conclusions are applied to two and three dimensional general problems with unstructured meshes. As a result of this analysis a local Courant–Friedrichs–Lewy number is defined for the computation of the time step. The convergence rate is evaluated, and compared with the traditional constant Courant–Friedrichs–Lewy number for various test cases spanning a large range of Mach numbers. [ABSTRACT FROM AUTHOR]

Broadcast traditionally has been regarded as a prohibitive communication transaction in multiprocessor environments. Nowadays, such a constraint largely drives the design of architectures and algorithms all-pervasive in diverse computing domains, directly and indirectly leading to diminishing performance returns as the many-core era is approaching. Novel interconnect technologies could help revert this trend by offering, among others, improved broadcast support, even in large-scale chip multiprocessors. This article outlines the prospects of wireless on-chip communication technologies pointing toward low-latency (a few cycles) and energy-efficient broadcast (a few picojoules per bit). It also discusses the challenges and potential impact of adopting these technologies as key enablers of unconventional hardware architectures and algorithmic approaches, in the pathway of significantly improving the performance, energy efficiency, scalability, and programmability of many-core chips. [ABSTRACT FROM PUBLISHER]

Because of their widely generalized use in many industries, composites are the subject of many research campaigns. More particularly, the development of both accurate and flexible numerical models able to capture their intrinsically multiscale modes of failure is still a challenge. The standard finite element method typically requires intensive remeshing to adequately capture the geometry of the cracks and high accuracy is thus often sacrificed in favor of scalability, and vice versa. In an effort to preserve both properties, we present here an extended finite element method (XFEM) for large scale composite fracture simulations. In this formulation, the standard FEM formulation is partially enriched by use of shifted Heaviside functions with special attention paid to the scalability of the scheme. This enrichment technique offers several benefits since the interpolation property of the standard shape function still holds at the nodes. Those benefits include (i) no extra boundary condition for the enrichment degree of freedom, and (ii) no need for transition/blending regions; both of which contribute to maintaining the scalability of the code. Two different cohesive zone models (CZM) are then adopted to capture the physics of the crack propagation mechanisms. At the intralaminar level, an extrinsic CZM embedded in the XFEM formulation is used. At the interlaminar level, an intrinsic CZM is adopted for predicting the failure. The overall framework is implemented in ALYA, a mechanics code specifically developed for large scale, massively parallel simulations of coupled multi-physics problems. The implementation of both intrinsic and extrinsic CZM models within the code is such that it conserves the extremely efficient scalability of ALYA while providing accurate physical simulations of computationally expensive phenomena. The strong scalability provided by the proposed implementation is demonstrated. The model is ultimately validated against a full experimental campaign of loading tests and X-ray tomography analyzes. [ABSTRACT FROM AUTHOR]

Background It is thought that aneurysms evolve as the result of progressive degradation of the wall in response to abnormal hemodynamics characterized by either high or low wall shear stress (WSS). Objective To investigate the effects of these two different hemodynamic pathways in a series of cerebral aneurysms with known rupture sites. Methods Nine aneurysms in which the rupture site could be identified in three-dimensional images were analyzed. The WSS distribution was obtained from computational fluid dynamics (CFD) simulations. Internal wall stresses were computed using structural wall models under hemodynamic loads determined by the CFD models. Wall properties (thickness and stiffness) were modulated with the WSS distribution (increased or decreased in regions of high or low WSS) to test possible wall degradation pathways. Rupture probability indices (RPI) were calculated to compare different wall models. Results Most rupture sites aligned with the intrasaccular flow stream and downstream of the primary impaction zone. The model that best explained the rupture site (produced higher RPI) in eight of the nine aneurysms (89%) had thinner and stiffer walls in regions of abnormally high WSS. The remaining case (11%) was best explained by a model with thinner and stiffer walls in regions of abnormally low WSS. Conclusions Aneurysm rupture seems to be caused by localized degradation and weakening of the wall in response to abnormal hemodynamics. Image-based computational models assuming wall thinning and stiffening in regions of abnormally high WSS were able to explain most of the observed rupture sites. [ABSTRACT FROM AUTHOR]

We present an elaborate preconditioning scheme for Krylov subspace methods which has been developed to improve the performance and reduce the execution time of parallel node-based finite-element (FE) solvers for 3-D electromagnetic (EM) numerical modelling in exploration geophysics. This new preconditioner is based on algebraic multigrid (AMG) that uses different basic relaxation methods, such as Jacobi, symmetric successive over-relaxation (SSOR) and Gauss–Seidel, as smoothers and the wave front algorithm to create groups, which are used for a coarse-level generation. We have implemented and tested this new preconditioner within our parallel nodal FE solver for 3-D forward problems in EM induction geophysics. We have performed series of experiments for several models with different conductivity structures and characteristics to test the performance of our AMG preconditioning technique when combined with biconjugate gradient stabilized method. The results have shown that, the more challenging the problem is in terms of conductivity contrasts, ratio between the sizes of grid elements and/or frequency, the more benefit is obtained by using this preconditioner. Compared to other preconditioning schemes, such as diagonal, SSOR and truncated approximate inverse, the AMG preconditioner greatly improves the convergence of the iterative solver for all tested models. Also, when it comes to cases in which other preconditioners succeed to converge to a desired precision, AMG is able to considerably reduce the total execution time of the forward-problem code—up to an order of magnitude. Furthermore, the tests have confirmed that our AMG scheme ensures grid-independent rate of convergence, as well as improvement in convergence regardless of how big local mesh refinements are. In addition, AMG is designed to be a black-box preconditioner, which makes it easy to use and combine with different iterative methods. Finally, it has proved to be very practical and efficient in the parallel context. [ABSTRACT FROM PUBLISHER]

Abstract: A variational multiscale stabilized finite element scheme is presented for the solution of moist atmospheric flows. The fully compressible Euler equations are coupled to a system of three advection equations that model the transport of water quantities in the atmosphere. A Kessler-type parametrization of microphysical processes of warm rain is used. Because analytic solutions to this problem are not available, the model is assessed by comparison with similar simulations presented in the literature. The metrics for evaluation are the intensity and spatial distribution of the storm, its duration, the location of precipitation, and water accumulation at different grid resolutions. The current model is able to capture the principal features of two-dimensional convective storms and orographic clouds at the grid scales typical of mesoscale atmospheric simulations. [Copyright &y& Elsevier]

In view of the ongoing COVID-19 pandemic and its effects on global health, understanding and accurately modelling the propagation of human biological aerosols has become crucial. Worldwide, health professionals have been one of the most affected demographics, representing approximately 20% of all cases in Spain, 10% in Italy and 4% in China and US. Methods to contain and remove potentially infected aerosols during Aerosol Generating Procedures (AGPs) near source offer advantages in reducing the contamination of protective clothing and the surrounding theatre equipment and space. In this work we describe the application of computational fluid dynamics in assessing the performance of a prototype extraction hood as a means to contain a high speed aerosol jet. Whilst the particular prototype device is intended to be used during tracheotomies, which are increasingly common in the wake of COVID-19, the underlying physics can be adapted to design similar machines for other AGPs. Computational modelling aspect of this study was largely carried out by Barcelona Supercomputing Center using the high performance computational mechanics code Alya. Based on the high fidelity LES coupled with Lagrangian frameworks the results demonstrate high containment efficiency of generated particles is feasible with achievable air extraction rates. • Evaluation of a new device to reduce the risk of infection during Aerosol Generating Procedures for use in COVID-19 surgical tracheotomy. • High fidelity LES coupled with Lagrangian frameworks is used as results to demonstrate the efficiency. • Accurate numerical modelling of the propagation of human biological aerosols. [ABSTRACT FROM AUTHOR]

We present a nodal finite-element method that can be used to compute in parallel highly accurate solutions for 3-D controlled-source electromagnetic forward-modelling problems in anisotropic media. Secondary coupled-potential formulation of Maxwell's equations allows to avoid the singularities introduced by the sources, while completely unstructured tetrahedral meshes and mesh refinement support an accurate representation of geological and bathymetric complexity and improve the solution accuracy. Different complex iterative solvers and an efficient pre-conditioner based on the sparse approximate inverse are used for solving the resulting large sparse linear system of equations. Results are compared with the ones of other researchers to check the accuracy of the method. We demonstrate the performance of the code in large problems with tens and even hundreds of millions of degrees of freedom. Scalability tests on massively parallel computers show that our code is highly scalable. [ABSTRACT FROM AUTHOR]

Abstract: We present a compressible version of the variational multiscale stabilization (VMS) method applied to the finite element (FE) solution of the Euler equations for nonhydrostatic stratified flows. This paper is meant to verify how the algorithm performs when solving problems in the framework of nonhydrostatic atmospheric dynamics. This effort is justified by the previously observed good performance of VMS and by the advantages that a compact Galerkin formulation offers on massively parallel architectures – a paradigm for both computational fluid dynamics (CFD) and numerical weather prediction (NWP) practitioners. We also propose a simple technique to construct a well-balanced approximation of the dominant hydrostatics that, if not properly discretized, may cause unacceptable vertical oscillations. This is a relevant problem in NWP, especially in the proximity of steep topography. To evaluate the performance of the method for stratified environments, six standard 2D and two 3D test cases are selected. Of these, two admit a semi-analytic solution, while the remaining six are non-steady and non-linear thermal problems with dominant buoyancy effects that challenge the algorithm in terms of stability. [Copyright &y& Elsevier]

SUMMARY In this paper, a highly parallel coupled electromechanical model of the heart is presented and assessed. The parallel-coupled model is thoroughly discussed, with scalability proven up to hundreds of cores. This work focuses on the mechanical part, including the constitutive model (proposing some modifications to pre-existent models), the numerical scheme and the coupling strategy. The model is next assessed through two examples. First, the simulation of a small piece of cardiac tissue is used to introduce the main features of the coupled model and calibrate its parameters against experimental evidence. Then, a more realistic problem is solved using those parameters, with a mesh of the Oxford ventricular rabbit model. The results of both examples demonstrate the capability of the model to run efficiently in hundreds of processors and to reproduce some basic characteristic of cardiac deformation. Copyright © 2012 John Wiley & Sons, Ltd. [ABSTRACT FROM AUTHOR]

In this work we present a robust interface coupling algorithm called Compact Interface quasi-Newton (CIQN). It is designed for computationally intensive applications using an MPI multi-code partitioned scheme. The algorithm allows to reuse information from previous time steps, feature that has been previously proposed to accelerate convergence. Through algebraic manipulation, an efficient usage of the computational resources is achieved by: avoiding construction of dense matrices and reduce every multiplication to a matrix–vector product and reusing the computationally expensive loops. This leads to a compact version of the original quasi-Newton algorithm. Altogether with an efficient communication, in this paper we show an efficient scalability up to 4800 cores. Three examples with qualitatively different dynamics are shown to prove that the algorithm can efficiently deal with added mass instability and two-field coupled problems. We also show how reusing histories and filtering does not necessarily makes a more robust scheme and, finally, we prove the necessity of this HPC version of the algorithm. The novelty of this article lies in the HPC focused implementation of the algorithm, detailing how to fuse and combine the composing blocks to obtain an scalable MPI implementation. Such an implementation is mandatory in large scale cases, for which the contact surface cannot be stored in a single computational node, or the number of contact nodes is not negligible compared with the size of the domain. [ABSTRACT FROM AUTHOR]

Accurate prediction of deformation and collapse of the upper airway during breathing is required for effective and personalised treatment of obstructive sleep apnoea (OSA). While numerical modelling techniques such as fluid–structure interaction (FSI) are promising, an outstanding challenge is to accurately predict the deformation of the airway during breathing and thus the occurrence of OSA. These difficulties arise because the effective stiffness of the soft tissue in the human upper airway varies due to neuromuscular effects on the stiffness of the underlying muscles. In addition, both the elasticity and anisotropy of the soft tissues along the upper airway are poorly characterised. Finally, gravitational effects on anatomic features are yet to be considered. In this study, a validated FSI technique is introduced that allows prediction of the extent and position of the major deformation in the upper airway. This technique is used to analyse the behaviour of the upper airway in the two most common sleeping positions and for a range of effective tissue stiffnesses. The results demonstrate that sleeping position, gravity and soft tissue stiffness (used here as a proxy for neuromuscular effects) are the main factors that affect upper airway collapse. Therefore, this study provides new insights into the mechanisms of OSA and a new methodology that significantly advances the patient-specific treatment of OSA. [ABSTRACT FROM AUTHOR]

Abstract: Computational modelling plays an important role in right ventricular (RV) haemodynamic analysis. However, current approaches use smoothed ventricular anatomies. The aim of this study is to characterise RV haemodynamics including detailed endocardial structures like trabeculae, moderator band, and papillary muscles. Four paired detailed and smoothed RV endocardium models (2 male and 2 female) were reconstructed from ex vivo human hearts high‐resolution magnetic resonance images. Detailed models include structures with ≥1 mm2 cross‐sectional area. Haemodynamic characterisation was done by computational fluid dynamics simulations with steady and transient inflows, using high‐performance computing. The differences between the flows in smoothed and detailed models were assessed using Q‐criterion for vorticity quantification, the pressure drop between inlet and outlet, and the wall shear stress. Results demonstrated that detailed endocardial structures increase the degree of intra‐ventricular pressure drop, decrease the wall shear stress, and disrupt the dominant vortex creating secondary small vortices. Increasingly turbulent blood flow was observed in the detailed RVs. Female RVs were less trabeculated and presented lower pressure drops than the males. In conclusion, neglecting endocardial structures in RV haemodynamic models may lead to inaccurate conclusions about the pressures, stresses, and blood flow behaviour in the cavity. [ABSTRACT FROM AUTHOR]