Subscribe to the gold package and get unlimited access to Shamra Academy
Register a new userAn adaptive hierarchical domain decomposition method for parallel contact dynamics simulations of granular materials
114
0
0.0
(
0
)
Ask ChatGPT about the research
No Arabic abstract
A fully parallel version of the contact dynamics (CD) method is presented in this paper. For large enough systems, 100% efficiency has been demonstrated for up to 256 processors using a hierarchical domain decomposition with dynamic load balancing. The iterative scheme to calculate the contact forces is left domain-wise sequential, with data exchange after each iteration step, which ensures its stability. The number of additional iterations required for convergence by the partially parallel updates at the domain boundaries becomes negligible with increasing number of particles, which allows for an effective parallelization. Compared to the sequential implementation, we found no influence of the parallelization on simulation results.
rate research
Read More
We introduce a contact law for the normal force generated between two contacting, elastically anisotropic bodies of arbitrary geometry. The only requirement is that their surfaces be smooth and frictionless. This anisotropic contact law is obtained from a simplification of the exact solution to the continuum elasticity problem and takes the familiar form of Hertz contact law, with the only difference being the orientation-dependence of the material-specific contact modulus. The contact law is remarkably accurate when compared with the exact solution, for a wide range of materials and surface geometries. We describe a computationally efficient implementation of the contact law into a discrete element method code, taking advantage of the precomputation of the contact modulus over all possible orientations. Finally, we showcase two application examples based on real materials where elastic anisotropy of the particles induces noticeable effects on macroscopic behavior. Notably, the second example demonstrates the ability to engineer tunable vibrational band gaps in a one-dimensional granular crystal by mere rotation of the constituent spherical particles.
We present a new method for sampling stochastic displacements in Brownian Dynamics (BD) simulations of colloidal scale particles. The method relies on a new formulation for Ewald summation of the Rotne-Prager-Yamakawa (RPY) tensor, which guarantees that the real-space and wave-space contributions to the tensor are independently symmetric and positive-definite for all possible particle configurations. Brownian displacements are drawn from a superposition of two independent samples: a wave-space (far-field or long-ranged) contribution, computed using techniques from fluctuating hydrodynamics and non-uniform Fast Fourier Transforms; and a real-space (near-field or short-ranged) correction, computed using a Krylov subspace method. The combined computational complexity of drawing these two independent samples scales linearly with the number of particles. The proposed method circumvents the super-linear scaling exhibited by all known iterative sampling methods applied directly to the RPY tensor that results from the power law growth of the condition number of tensor with the number of particles. Calculations for hard sphere dispersions and colloidal gels are illustrated and used to explore the role of microstructure on performance of the algorithm. In practice, the logarithmic part of the predicted scaling is not observed and the algorithm scales linearly for up to 4 million particles, obtaining speed ups of over an order of magnitude over existing iterative methods, and making the cost of computing Brownian displacements comparable the cost of computing deterministic displacements in BD simulations. A high-performance implementation employing non-uniform fast Fourier transforms implemented on graphics processing units and integrated with the software package HOOMD-blue is used for benchmarking.
We present an efficient open-source implementation of the multiparticle collision dynamics (MPCD) algorithm that scales to run on hundreds of graphics processing units (GPUs). We especially focus on optimizations for modern GPU architectures and communication patterns between multiple GPUs. We show that a mixed-precision computing model can improve performance compared to a fully double-precision model while still providing good numerical accuracy. We report weak and strong scaling benchmarks of a reference MPCD solvent and a benchmark of a polymer solution with research-relevant interactions and system size. Our MPCD software enables simulations of mesoscale hydrodynamics at length and time scales that would be otherwise challenging or impossible to access.
The mechanics of cohesive or cemented granular materials is complex, combining the heterogeneous responses of granular media, like force chains, with clearly defined material properties. Here, we use a discrete element model (DEM) simulation, consisting of an assemblage of elastic particles connected by softer but breakable elastic bonds, to explore how this class of material deforms and fails under uniaxial compression. We are particularly interested in the connection between the microscopic interactions among the grains or particles and the macroscopic material response. To this end, the properties of the particles and the stiffness of the bonds are matched to experimental measurements of a cohesive granular media with tunable elasticity. The criterion for breaking a bond is also based on an explicit Griffith energy balance, with realistic surface energies. By varying the initial volume fraction of the particle assembles we show that this simple model reproduces a wide range of experimental behaviors, both in the elastic limit and beyond it. These include quantitative details of the distinct failure modes of shear-banding, ductile failure and compaction banding or anti-cracks, as well as the transitions between these modes. The present work, therefore, provides a unified framework for understanding the failure of porous materials such as sandstone, marble, powder aggregates, snow and foam.
In finite-size scaling analyses of Monte Carlo simulations of second-order phase transitions one often needs an extended temperature range around the critical point. By combining the parallel tempering algorithm with cluster updates and an adaptive routine to find the temperature window of interest, we introduce a flexible and powerful method for systematic investigations of critical phenomena. As a result, we gain one to two orders of magnitude in the performance for 2D and 3D Ising models in comparison with the recently proposed Wang-Landau recursion for cluster algorithms based on the multibondic algorithm, which is already a great improvement over the standard multicanonical variant.
Log in to be able to interact and post comments
comments
Fetching comments
Sign in to be able to follow your search criteria
