Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of inter-atomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dynamics models which can be difficult to parallelize efficiently—those with short-range forces where the neighbors of each atom change rapidly. They can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors. The algorithms are tested on a standard Lennard-Jones benchmark problem for system sizes ranging from 500 to 100,000,000 atoms on several parallel supercomputers--the nCUBE 2, Intel iPSC/860 and Paragon, and Cray T3D. Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems. For large problems, the spatial algorithm achieves parallel efficiencies of 90% and a 1840-node Intel Paragon performs up to 165 faster than a single Cray C9O processor. Trade-offs between the three algorithms and guidelines for adapting them to more complex molecular dynamics simulations are also discussed.

Fast parallel algorithms for short-range molecular dynamics

The size and shape of soil particles reflect the formation history of the grains. In turn, the macroscale behavior of the soil mass results from particle level interactions which are affected by particle shape. Sphericity, roundness, and smoothness characterize different scales associated with particle shape. New experimental data and results from published studies are gathered into two databases to explore the effects of particle shape on packing density and on the small-to-large strain mechanical properties of sandy soils. In agreement with previous studies, these data confirm that increased angularity or eccentricity produces an increase in emax and emin. Furthermore, the data show that increasing particle irregularity causes a decrease in stiffness yet heightened sensitivity to the state of stress; an increase in compressibility under zero-lateral strain loading; an increase in the critical state friction angle cs; and an increase in the intercept of the critical state line there is a weak effect on the slope . Therefore, particle shape emerges as a significant soil index property that needs to be properly characterized and documented, particularly in clean sands and gravels. The systematic assessment of particle shape will lead to a better understanding of sand behavior.

Particle Shape Effects on Packing Density, Stiffness, and Strength: Natural and Crushed Sands

http://www.saetaequina.com/files/1-s2_0-S0950061811006763-main.pdf

A simple review of soil reinforcement by using natural and synthetic fibers

Experimental results are presented from the extensive program of drained plane strain compression tests on sand carried out in Grenoble over the last two decades. Systematic analysis of photographs of the deforming specimen allowed for measuring deformations and determining strain fields throughout the test, that is: prior to, at, and after the onset of strain localization. The principles, details and accuracy of the procedure are described, as well as its suitability to properly depict the patterns of deformation. Findings concerning the occurrence and progression of strain localization are discussed. The issues of shear band orientation and thickness are addressed, as well as temporary and persistent complex localization patterns, and the volumetric behaviour inside a band after its formation. The influence of such variables as initial state of the sand (effective stress and relative density), specimen size and slenderness, as well as grain size, is discussed. Copyright © 2004 John Wiley & Sons, Ltd

Strain localization in sand: an overview of the experimental results obtained in Grenoble using stereophotogrammetry

Examples of situations are presented where the grading of a soil changes during its lifetime either by crushing of particles leading to an increase of fine material or by slow transport of fine particles with seepage leading to a decrease of fine material. Such grading changes influence the basic constitutive properties of the soil, in particular properties such as critical states which are dependent on the available range of densities of packing. Discrete element modelling is used to show the dependence of critical state conditions on grading and the way in which the particle assembly seeks out new critical state conditions as the grading changes.

Changing grading of soil: effect on critical states

Fibre reinforced sands: Experiments and modelling

This paper explores the possibility of using well-accepted concepts—Mohr-Coulomb-like strength criterion, critical state, existence of a small strain elastic region, hyperbolic relationship for representing global plastic stress–strain behaviour, dependence of strength on state parameter and flow rules derived from the Cam-Clay Model—to represent the general multiaxial stress–strain behaviour of granular materials over the full range of void ratios and stress level (neglecting grain crushing). The result is a simple model based on bounding surface and kinematic hardening plasticity, which is based on a single set of constitutive parameters, namely two for the elastic behaviour plus eight for the plastic behaviour, which all have a clear and easily understandable physical meaning.



In order to assist the convenience of the numerical implementation, the model is defined in a ‘normalized’ stress space in which the stress–strain behaviour does not undergo any strain softening and so certain potential numerical difficulties are avoided.



In the first part the multiaxial formulation of the model is described in detail, using appropriate mixed invariants, which rationally combine stress history and stress. The model simulations are compared with some experimental results for tests on granular soils along stress paths lying outside the triaxial plane over a wide range of densities and mean stresses, using constitutive parameters calibrated using triaxial tests. Furthermore, the study is extended to the analysis of the effects induced by the different shapes of the yield and bounding surfaces, revealing the different role played by the size and the curvature of the bounding surface on the simulated behaviour of completely stress- and partly strain-driven tests. Copyright © 1999 John Wiley & Sons, Ltd.

D. Muir Wood

Papers

Fibre reinforced sands: Experiments and modelling

A kinematic hardening constitutive model for sands: the multiaxial formulation

Observed Dynamic Soil-Structure Interaction in scale testing of Offshore Wind Turbine Foundations

Effects of dilatancy and particle size observed in model tests on sand

Static liquefaction of fibre reinforced sand under monotonic loading