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

Dynamic fracture mechanics

Review: Calibration of the discrete element method

Energy demand in China has risen rapidly and reached an unprecedented level due to the high-speed economic growth and modern development. As a result, the Chinese government faces a growing pressure to address the energy shortage and environmental deterioration, mainly resulting from an over-dependence on fossil energy. China has become both the largest energy consumer and CO 2 emitting country in the world in 2015. Utilization of potential for renewable energy is necessary for changing inappropriate energy consumption structure, protecting environment and achieving sustainable economic and social development. In view of such mentioned situation, this paper firstly introduces the energy structure as well as the development status of renewable energy in China, which includes hydropower, wind power, solar power, biomass power and other renewable energy. Besides, based on the current situation in China, the paper makes a preliminary prediction of the development of renewable energy in the country for the future decades, and proposes targeted countermeasures and suggestions.

Present situation and future prospect of renewable energy in China

A variational free-discontinuity formulation of brittle fracture was given by Francfortand Marigo [1], where the total energy is minimized with respect to the crackgeometry and the displacement field simultaneously. The entire evolution of cracksincluding their initiation and branching is determined by this minimization principlerequiring no further criterion. However, a direct numerical discretization of themodel faces considerable difficulties as the displacement field is discontinuous inthe presence of cracks.

A Continuum Phase Field Model for Fracture

Hydropower in China at present and its further development

Settlement analysis of the Shuibuya concrete-face rockfill dam

Modeling the fragmentation of rock grains using computed tomography and combined FDEM

http://swrh.whu.edu.cn/dianqing/images/pdf-files/2015-Bivariate_distribution_of_shear_strength_parameters_using_copulas.pdf

Wei Zhou

Papers

Hydropower in China at present and its further development

Settlement analysis of the Shuibuya concrete-face rockfill dam

Modeling the fragmentation of rock grains using computed tomography and combined FDEM

Bivariate distribution of shear strength parameters using copulas and its impact on geotechnical system reliability

Modeling the particle breakage of rockfill materials with the cohesive crack model