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

An introduction to heat transfer

Review of natural gas hydrates as an energy resource: Prospects and challenges ☆

Investigation into gas production from natural gas hydrate: A review

A review of the hydrate based gas separation (HBGS) process for carbon dioxide pre-combustion capture

Over the past century, fossil fuels have provided the majority of China's energy. However, their extensive utilization leads to a shortage and environmental pollution. Recently, submarine and permafrost gas hydrate deposits have been investigated as a possible clean and sustainable energy source by governmental institutions, research organizations, and energy industries in China. The primary objective of this paper is to review the potential studies pertaining to gas hydrate exploration and resource assessment, the safe and efficient exploitation of gas hydrates and the basic properties of gas hydrates. To date, there are over 20 institutions and organizations in China committed to gas hydrate investigation, among which the Guangzhou Marine Geological Survey (GMGS) and the Chinese Academy of Geological Sciences (CAGS) etc. primarily focus on gas hydrate exploration research, while the China National Offshore Oil Corporation (CNOOC) Research Center, Guangzhou Institute of Energy Conversion (GIEC) and China University of Petroleum-Beijing (CUPB) etc. concentrate on gas hydrate mining technologies. In this paper, the occurrence and exploration of gas hydrates in both permafrost regions and the continental slope of China have been determined from numerous research contributions and are presented. Moreover, the latest progress in gas hydrate fundamental studies, including hydrate phase equilibria, hydrate formation mechanisms, hydrate thermal physical properties and the acoustics and resistivity characteristics of gas hydrates are briefly reviewed, and relevant data are gathered and compared. Emphasis is also placed on gas hydrate mining technologies and gas production using depressurization methods, thermal stimulation methods or other methods. Furthermore, the security of natural gas hydrate-bearing sediments during gas production and the environmental impacts of gas hydrate are identified. With additional financial and political support and advanced research facilities, research on gas hydrates in China is progressing rapidly but is still in its early developing stage, thus, future work should be undertaken with greater diligence.

The status of natural gas hydrate research in China: A review

Enhanced CH4 recovery and CO2 storage via thermal stimulation in the CH4/CO2 replacement of methane hydrate

Analysis of heat transfer effects on gas production from methane hydrate by depressurization

Analysis of the effect of particle size on permeability in hydrate-bearing porous media using pore network models combined with CT

Gas production behavior from hydrate-bearing fine natural sediments through optimized step-wise depressurization

Jiafei Zhao

Papers

The status of natural gas hydrate research in China: A review

Enhanced CH4 recovery and CO2 storage via thermal stimulation in the CH4/CO2 replacement of methane hydrate

Analysis of heat transfer effects on gas production from methane hydrate by depressurization

Analysis of the effect of particle size on permeability in hydrate-bearing porous media using pore network models combined with CT

Gas production behavior from hydrate-bearing fine natural sediments through optimized step-wise depressurization