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Journal of Computational Physics

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https://www.readbyqxmd.com/read/27330221/a-computational-method-for-the-coupled-solution-of-reaction-diffusion-equations-on-evolving-domains-and-manifolds-application-to-a-model-of-cell-migration-and-chemotaxis
#1
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
https://www.readbyqxmd.com/read/26869729/numerical-simulation-of-endocytosis-viscous-flow-driven-by-membranes-with-non-uniformly-distributed-curvature-inducing-molecules
#2
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
https://www.readbyqxmd.com/read/26819483/anatomically-accurate-high-resolution-modeling-of-human-whole-heart-electromechanics-a-strongly-scalable-algebraic-multigrid-solver-method-for-nonlinear-deformation
#3
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
https://www.readbyqxmd.com/read/26705370/object-oriented-persistent-homology
#4
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
https://www.readbyqxmd.com/read/26600600/simulation-of-stochastic-diffusion-via-first-exit-times
#5
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
https://www.readbyqxmd.com/read/26478601/hybrid-approaches-for-multiple-species-stochastic-reaction-diffusion-models
#6
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
https://www.readbyqxmd.com/read/26190859/a-fully-resolved-active-musculo-mechanical-model-for-esophageal-transport
#7
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
https://www.readbyqxmd.com/read/27087702/a-semi-implicit-augmented-iim-for-navier-stokes-equations-with-open-traction-or-free-boundary-conditions
#8
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
https://www.readbyqxmd.com/read/25983341/an-integration-factor-method-for-stochastic-and-stiff-reaction-diffusion-systems
#9
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
https://www.readbyqxmd.com/read/25931614/numerical-method-of-characteristics-for-one-dimensional-blood-flow
#10
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
https://www.readbyqxmd.com/read/25914422/second-order-method-for-solving-3d-elasticity-equations-with-complex-interfaces
#11
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
https://www.readbyqxmd.com/read/26085690/tempered-fractional-calculus
#12
Mark M Meerschaert, Farzad Sabzikar, Jinghua Chen
Fractional derivatives and integrals are convolutions with a power law. Multiplying by an exponential factor leads to tempered fractional derivatives and integrals. Tempered fractional diffusion equations, where the usual second derivative in space is replaced by a tempered fractional derivative, govern the limits of random walk models with an exponentially tempered power law jump distribution. The limiting tempered stable probability densities exhibit semi-heavy tails, which are commonly observed in finance...
July 15, 2015: Journal of Computational Physics
https://www.readbyqxmd.com/read/25897178/semi-implicit-integration-factor-methods-on-sparse-grids-for-high-dimensional-systems
#13
Dongyong Wang, Weitao Chen, Qing Nie
Numerical methods for partial differential equations in high-dimensional spaces are often limited by the curse of dimensionality. Though the sparse grid technique, based on a one-dimensional hierarchical basis through tensor products, is popular for handling challenges such as those associated with spatial discretization, the stability conditions on time step size due to temporal discretization, such as those associated with high-order derivatives in space and stiff reactions, remain. Here, we incorporate the sparse grids with the implicit integration factor method (IIF) that is advantageous in terms of stability conditions for systems containing stiff reactions and diffusions...
July 1, 2015: Journal of Computational Physics
https://www.readbyqxmd.com/read/26568640/convergence-of-methods-for-coupling-of-microscopic-and-mesoscopic-reaction-diffusion-simulations
#14
Mark B Flegga, Stefan Hellander, Radek Erban
In this paper, three multiscale methods for coupling of mesoscopic (compartment-based) and microscopic (molecular-based) stochastic reaction-diffusion simulations are investigated. Two of the three methods that will be discussed in detail have been previously reported in the literature; the two-regime method (TRM) and the compartment-placement method (CPM). The third method that is introduced and analysed in this paper is called the ghost cell method (GCM), since it works by constructing a "ghost cell" in which molecules can disappear and jump into the compartment-based simulation...
May 15, 2015: Journal of Computational Physics
https://www.readbyqxmd.com/read/25892748/a-weno-solver-combined-with-adaptive-momentum-discretization-for-the-wigner-transport-equation-and-its-application-to-resonant-tunneling-diodes
#15
Antonius Dorda, Ferdinand Schürrer
We present a novel numerical scheme for the deterministic solution of the Wigner transport equation, especially suited to deal with situations in which strong quantum effects are present. The unique feature of the algorithm is the expansion of the Wigner function in local basis functions, similar to finite element or finite volume methods. This procedure yields a discretization of the pseudo-differential operator that conserves the particle density on arbitrarily chosen grids. The high flexibility in refining the grid spacing together with the weighted essentially non-oscillatory (WENO) scheme for the advection term allows for an accurate and well-resolved simulation of the phase space dynamics...
March 1, 2015: Journal of Computational Physics
https://www.readbyqxmd.com/read/25641983/a-multiple-time-stepping-algorithm-for-efficient-multiscale-modeling-of-platelets-flowing-in-blood-plasma
#16
Peng Zhang, Na Zhang, Yuefan Deng, Danny Bluestein
We developed a multiple time-stepping (MTS) algorithm for multiscale modeling of the dynamics of platelets flowing in viscous blood plasma. This MTS algorithm improves considerably the computational efficiency without significant loss of accuracy. This study of the dynamic properties of flowing platelets employs a combination of the dissipative particle dynamics (DPD) and the coarse-grained molecular dynamics (CGMD) methods to describe the dynamic microstructures of deformable platelets in response to extracellular flow-induced stresses...
March 1, 2015: Journal of Computational Physics
https://www.readbyqxmd.com/read/25414520/a-new-runge-kutta-discontinuous-galerkin-method-with-conservation-constraint-to-improve-cfl-condition-for-solving-conservation-laws
#17
Zhiliang Xu, Xu-Yan Chen, Yingjie Liu
We present a new formulation of the Runge-Kutta discontinuous Galerkin (RKDG) method [9, 8, 7, 6] for solving conservation Laws with increased CFL numbers. The new formulation requires the computed RKDG solution in a cell to satisfy additional conservation constraint in adjacent cells and does not increase the complexity or change the compactness of the RKDG method. Numerical computations for solving one-dimensional and two-dimensional scalar and systems of nonlinear hyperbolic conservation laws are performed with approximate solutions represented by piecewise quadratic and cubic polynomials, respectively...
December 1, 2014: Journal of Computational Physics
https://www.readbyqxmd.com/read/25246712/diffuse-interface-models-of-locally-inextensible-vesicles-in-a-viscous-fluid
#18
Sebastian Aland, Sabine Egerer, John Lowengrub, Axel Voigt
We present a new diffuse interface model for the dynamics of inextensible vesicles in a viscous fluid with inertial forces. A new feature of this work is the implementation of the local inextensibility condition in the diffuse interface context. Local inextensibility is enforced by using a local Lagrange multiplier, which provides the necessary tension force at the interface. We introduce a new equation for the local Lagrange multiplier whose solution essentially provides a harmonic extension of the multiplier off the interface while maintaining the local inextensibility constraint near the interface...
November 15, 2014: Journal of Computational Physics
https://www.readbyqxmd.com/read/26609185/the-time-dependent-propensity-function-for-acceleration-of-spatial-stochastic-simulation-of-reaction-diffusion-systems
#19
Jin Fu, Sheng Wu, Hong Li, Linda R Petzold
The inhomogeneous stochastic simulation algorithm (ISSA) is a fundamental method for spatial stochastic simulation. However, when diffusion events occur more frequently than reaction events, simulating the diffusion events by ISSA is quite costly. To reduce this cost, we propose to use the time dependent propensity function in each step. In this way we can avoid simulating individual diffusion events, and use the time interval between two adjacent reaction events as the simulation stepsize. We demonstrate that the new algorithm can achieve orders of magnitude efficiency gains over widely-used exact algorithms, scales well with increasing grid resolution, and maintains a high level of accuracy...
October 1, 2014: Journal of Computational Physics
https://www.readbyqxmd.com/read/25110358/finite-volume-weno-scheme-for-viscous-compressible-multicomponent-flows
#20
Vedran Coralic, Tim Colonius
We develop a shock- and interface-capturing numerical method that is suitable for the simulation of multicomponent flows governed by the compressible Navier-Stokes equations. The numerical method is high-order accurate in smooth regions of the flow, discretely conserves the mass of each component, as well as the total momentum and energy, and is oscillation-free, i.e. it does not introduce spurious oscillations at the locations of shockwaves and/or material interfaces. The method is of Godunov-type and utilizes a fifth-order, finite-volume, weighted essentially non-oscillatory (WENO) scheme for the spatial reconstruction and a Harten-Lax-van Leer contact (HLLC) approximate Riemann solver to upwind the fluxes...
October 1, 2014: Journal of Computational Physics
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