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 review outlines modern trends in theoretical developments, novel designs and modern applications of sandwich structures. The most recent work published at the time of writing of this review is considered, older sources are listed only on as-needed basis. The review begins with the discussion on the analytical models and methods of analysis of sandwich structures as well as representative problems utilizing or comparing these models. Novel designs of sandwich structures is further elucidated concentrating on miscellaneous cores, introduction of nanotubes and smart materials in the elements of a sandwich structure as well as using functionally graded designs. Examples of problems experienced by developers and designers of sandwich structures, including typical damage, response under miscellaneous loads, environmental effects and fire are considered. Sample applications of sandwich structures included in the review concentrate on aerospace, civil and marine engineering, electronics and biomedical areas. Finally, the authors suggest a list of areas where they envision a pressing need in further research.

Review of current trends in research and applications of sandwich structures

A review of meshless methods for laminated and functionally graded plates and shells

On the free vibration analysis of laminated composite and sandwich plates: A review of recent literature with some numerical results

A wide range of microelectromechanical systems (MEMSs) and devices are actuated using electrostatic forces. Multiphysics modeling is required, since coupling among different fields such as solid and fluid mechanics, thermomechanics and electromagnetism is involved. This work presents an overview of models for electrostatically actuated MEMSs. Three-dimensional nonlinear formulations for the coupled electromechanical fluid–structure interaction problem are outlined. Simplified reduced-order models are illustrated along with assumptions that define their range of applicability. Theoretical, numerical and experimental works are classified according to the mechanical model used in the analysis.

https://iopscience.iop.org/article/10.1088/0964-1726/16/6/R01/pdf

Review of modeling electrostatically actuated microelectromechanical systems

The Material Point Method: A Continuum-Based Particle Method for Extreme Loading Cases

Coupling of finite element method with material point method by local multi-mesh contact method

Incompressible material point method for free surface flow

An adaptive finite element material point method and its application in extreme deformation problems

A meshfree computational method is proposed in this paper to solve Kirchhoff plate problems of various geometries. The deflection of the thin plate is approximated by using a Hermite-type radial basis function approximation technique. The standard Galerkin method is adopted to discretize the governing partial differential equations which were derived from using the Kirchhoff's plate theory. The degrees of freedom for the slopes are included in the approximation to make the proposed method effective in enforcing essential boundary conditions. Numerical examples with different geometric shapes and various boundary conditions are given to verify the efficiency, accuracy, and robustness of the method. Copyright © 2005 John Wiley & Sons, Ltd.

Yan Liu

Papers

The Material Point Method: A Continuum-Based Particle Method for Extreme Loading Cases

Coupling of finite element method with material point method by local multi-mesh contact method

Incompressible material point method for free surface flow

An adaptive finite element material point method and its application in extreme deformation problems

A meshfree Hermite‐type radial point interpolation method for Kirchhoff plate problems