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Journal of Computational Physics

Kazuki Maeda, Tim Colonius
We present a coupled Eulerian-Lagrangian method to simulate cloud cavitation in a compressible liquid. The method is designed to capture the strong, volumetric oscillations of each bubble and the bubble-scattered acoustics. The dynamics of the bubbly mixture is formulated using volume-averaged equations of motion. The continuous phase is discretized on an Eulerian grid and integrated using a high-order, finite-volume weighted essentially non-oscillatory (WENO) scheme, while the gas phase is modeled as spherical, Lagrangian point-bubbles at the sub-grid scale, each of whose radial evolution is tracked by solving the Keller-Miksis equation...
October 15, 2018: Journal of Computational Physics
U Dobramysl, D Holcman
Is it possible to recover the position of a source from the steady-state fluxes of Brownian particles to small absorbing windows located on the boundary of a domain? To address this question, we develop a numerical procedure to avoid tracking Brownian trajectories in the entire infinite space. Instead, we generate particles near the absorbing windows, computed from the analytical expression of the exit probability. When the Brownian particles are generated by a steady-state gradient at a single point, we compute asymptotically the fluxes to small absorbing holes distributed on the boundary of half-space and on a disk in two dimensions, which agree with stochastic simulations...
February 15, 2018: Journal of Computational Physics
Roberto de la Cruz, Pilar Guerrero, Juan Calvo, Tomás Alarcón
The development of hybrid methodologies is of current interest in both multi-scale modelling and stochastic reaction-diffusion systems regarding their applications to biology. We formulate a hybrid method for stochastic multi-scale models of cells populations that extends the remit of existing hybrid methods for reaction-diffusion systems. Such method is developed for a stochastic multi-scale model of tumour growth, i.e. population-dynamical models which account for the effects of intrinsic noise affecting both the number of cells and the intracellular dynamics...
December 1, 2017: Journal of Computational Physics
Wenjun Kou, Boyce E Griffith, John E Pandolfino, Peter J Kahrilas, Neelesh A Patankar
In this work, we extend our previous esophageal transport model using an immersed boundary (IB) method with discrete fiber-based structural model, to one using a continuum mechanics-based model that is approximated based on finite elements (IB-FE). To deal with the leakage of flow when the Lagrangian mesh becomes coarser than the fluid mesh, we employ adaptive interaction quadrature points to deal with Lagrangian-Eulerian interaction equations based on a previous work (Griffith and Luo [1]). In particular, we introduce a new anisotropic adaptive interaction quadrature rule...
October 1, 2017: Journal of Computational Physics
Aurel Neic, Fernando O Campos, Anton J Prassl, Steven A Niederer, Martin J Bishop, Edward J Vigmond, Gernot Plank
Anatomically accurate and biophysically detailed bidomain models of the human heart have proven a powerful tool for gaining quantitative insight into the links between electrical sources in the myocardium and the concomitant current flow in the surrounding medium as they represent their relationship mechanistically based on first principles. Such models are increasingly considered as a clinical research tool with the perspective of being used, ultimately, as a complementary diagnostic modality. An important prerequisite in many clinical modeling applications is the ability of models to faithfully replicate potential maps and electrograms recorded from a given patient...
October 1, 2017: Journal of Computational Physics
Melissa R Adkins, Y C Zhou
Lipid bilayer membranes are not uniform and clusters of lipids in a more ordered state exist within the generally disorder lipid milieu of the membrane. These clusters of ordered lipids microdomains are now referred to as lipid rafts. Recent reports attribute the formation of these microdomains to the geometrical and molecular mechanical mismatch of lipids of different species on the boundary. Here we introduce the geodesic curvature to characterize the geometry of the domain boundary, and develop a geodesic curvature energy model to describe the formation of these microdomains as a result of energy minimization...
September 15, 2017: Journal of Computational Physics
Hafez Asgharzadeh, Iman Borazjani
The explicit and semi-implicit schemes in flow simulations involving complex geometries and moving boundaries suffer from time-step size restriction and low convergence rates. Implicit schemes can be used to overcome these restrictions, but implementing them to solve the Navier-Stokes equations is not straightforward due to their non-linearity. Among the implicit schemes for nonlinear equations, Newton-based techniques are preferred over fixed-point techniques because of their high convergence rate but each Newton iteration is more expensive than a fixed-point iteration...
February 15, 2017: Journal of Computational Physics
Shinjiro Miyawaki, Sanghun Choi, Eric A Hoffman, Ching-Long Lin
To reproduce realistic airway motion and airflow, the authors developed a deforming lung computational fluid dynamics (CFD) model based on four-dimensional (4D, space and time) dynamic computed tomography (CT) images. A total of 13 time points within controlled tidal volume respiration were used to account for realistic and irregular lung motion in human volunteers. Because of the irregular motion of 4DCT-based airways, we identified an optimal interpolation method for airway surface deformation during respiration, and implemented a computational solid mechanics-based moving mesh algorithm to produce smooth deforming airway mesh...
December 1, 2016: Journal of Computational Physics
Yue Yu, Paris Perdikaris, George Em Karniadakis
We develop efficient numerical methods for fractional order PDEs, and employ them to investigate viscoelastic constitutive laws for arterial wall mechanics. Recent simulations using one-dimensional models [1] have indicated that fractional order models may offer a more powerful alternative for modeling the arterial wall response, exhibiting reduced sensitivity to parametric uncertainties compared with the integer-calculus-based models. Here, we study three-dimensional (3D) fractional PDEs that naturally model the continuous relaxation properties of soft tissue, and for the first time employ them to simulate flow structure interactions for patient-specific brain aneurysms...
October 15, 2016: Journal of Computational Physics
G MacDonald, J A Mackenzie, M Nolan, R H Insall
In this paper, we devise a moving mesh finite element method for the approximate solution of coupled bulk-surface reaction-diffusion equations on an evolving two dimensional domain. Fundamental to the success of the method is the robust generation of bulk and surface meshes. For this purpose, we use a novel moving mesh partial differential equation (MMPDE) approach. The developed method is applied to model problems with known analytical solutions; these experiments indicate second-order spatial and temporal accuracy...
March 15, 2016: Journal of Computational Physics
John Lowengrub, Jun Allard, Sebastian Aland
The formation of membrane vesicles from a larger membrane that occurs during endocytosis and other cell processes are typically orchestrated by curvature-inducing molecules attached to the membrane. Recent reports demonstrate that vesicles can form de novo in a few milliseconds. Membrane dynamics at these scales are strongly influenced by hydrodynamic interactions. To study this problem, we develop new diffuse interface models for the dynamics of inextensible vesicles in a viscous fluid with stiff, curvature-inducing molecules...
March 15, 2016: Journal of Computational Physics
Christoph M Augustin, Aurel Neic, Manfred Liebmann, Anton J Prassl, Steven A Niederer, Gundolf Haase, Gernot Plank
Electromechanical (EM) models of the heart have been used successfully to study fundamental mechanisms underlying a heart beat in health and disease. However, in all modeling studies reported so far numerous simplifications were made in terms of representing biophysical details of cellular function and its heterogeneity, gross anatomy and tissue microstructure, as well as the bidirectional coupling between electrophysiology (EP) and tissue distension. One limiting factor is the employed spatial discretization methods which are not sufficiently flexible to accommodate complex geometries or resolve heterogeneities, but, even more importantly, the limited efficiency of the prevailing solver techniques which are not sufficiently scalable to deal with the incurring increase in degrees of freedom (DOF) when modeling cardiac electromechanics at high spatio-temporal resolution...
January 15, 2016: Journal of Computational Physics
Bao Wang, Guo-Wei Wei
Persistent homology provides a new approach for the topological simplification of big data via measuring the life time of intrinsic topological features in a filtration process and has found its success in scientific and engineering applications. However, such a success is essentially limited to qualitative data classification and analysis. Indeed, persistent homology has rarely been employed for quantitative modeling and prediction. Additionally, the present persistent homology is a passive tool, rather than a proactive technique, for classification and analysis...
January 15, 2016: Journal of Computational Physics
Per Lötstedt, Lina Meinecke
In molecular biology it is of interest to simulate diffusion stochastically. In the mesoscopic model we partition a biological cell into unstructured subvolumes. In each subvolume the number of molecules is recorded at each time step and molecules can jump between neighboring subvolumes to model diffusion. The jump rates can be computed by discretizing the diffusion equation on that unstructured mesh. If the mesh is of poor quality, due to a complicated cell geometry, standard discretization methods can generate negative jump coefficients, which no longer allows the interpretation as the probability to jump between the subvolumes...
November 1, 2015: Journal of Computational Physics
Fabian Spill, Pilar Guerrero, Tomas Alarcon, Philip K Maini, Helen Byrne
Reaction-diffusion models are used to describe systems in fields as diverse as physics, chemistry, ecology and biology. The fundamental quantities in such models are individual entities such as atoms and molecules, bacteria, cells or animals, which move and/or react in a stochastic manner. If the number of entities is large, accounting for each individual is inefficient, and often partial differential equation (PDE) models are used in which the stochastic behaviour of individuals is replaced by a description of the averaged, or mean behaviour of the system...
October 15, 2015: Journal of Computational Physics
Wenjun Kou, Amneet Pal Singh Bhalla, Boyce E Griffith, John E Pandolfino, Peter J Kahrilas, Neelesh A Patankar
Esophageal transport is a physiological process that mechanically transports an ingested food bolus from the pharynx to the stomach via the esophagus, a multilayered muscular tube. This process involves interactions between the bolus, the esophagus, and the neurally coordinated activation of the esophageal muscles. In this work, we use an immersed boundary (IB) approach to simulate peristaltic transport in the esophagus. The bolus is treated as a viscous fluid that is actively transported by the muscular esophagus, and the esophagus is modeled as an actively contracting, fiber-reinforced tube...
October 1, 2015: Journal of Computational Physics
Zhilin Li, Li Xiao, Qin Cai, Hongkai Zhao, Ray Luo
In this paper, a new Navier-Stokes solver based on a finite difference approximation is proposed to solve incompressible flows on irregular domains with open, traction, and free boundary conditions, which can be applied to simulations of fluid structure interaction, implicit solvent model for biomolecular applications and other free boundary or interface problems. For some problems of this type, the projection method and the augmented immersed interface method (IIM) do not work well or does not work at all...
August 15, 2015: Journal of Computational Physics
Catherine Ta, Dongyong Wang, Qing Nie
Stochastic effects are often present in the biochemical systems involving reactions and diffusions. When the reactions are stiff, existing numerical methods for stochastic reaction diffusion equations require either very small time steps for any explicit schemes or solving large nonlinear systems at each time step for the implicit schemes. Here we present a class of semi-implicit integration factor methods that treat the diffusion term exactly and reaction implicitly for a system of stochastic reaction-diffusion equations...
August 15, 2015: Journal of Computational Physics
Sebastian Acosta, Charles Puelz, Béatrice Riviére, Daniel J Penny, Craig G Rusin
Mathematical modeling at the level of the full cardiovascular system requires the numerical approximation of solutions to a one-dimensional nonlinear hyperbolic system describing flow in a single vessel. This model is often simulated by computationally intensive methods like finite elements and discontinuous Galerkin, while some recent applications require more efficient approaches (e.g. for real-time clinical decision support, phenomena occurring over multiple cardiac cycles, iterative solutions to optimization/inverse problems, and uncertainty quantification)...
August 1, 2015: Journal of Computational Physics
Bao Wang, Kelin Xia, Guo-Wei Wei
Elastic materials are ubiquitous in nature and indispensable components in man-made devices and equipments. When a device or equipment involves composite or multiple elastic materials, elasticity interface problems come into play. The solution of three dimensional (3D) elasticity interface problems is significantly more difficult than that of elliptic counterparts due to the coupled vector components and cross derivatives in the governing elasticity equation. This work introduces the matched interface and boundary (MIB) method for solving 3D elasticity interface problems...
August 1, 2015: Journal of Computational Physics
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