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Abstract: Recently, as an efficient method of describing the
microscopic phenomenon, the molecular dynamic simulation technology
which derived from statistical physics attracts people’s more and more
attentation and successfully applied to many microscopic region such as
nanotechnology. With the development of MD simulation technology, the
study of simulation algorithm has attracted many people’s attentation.
It is approved that the symplectic algorithm is a high resoluted and
convergent algorithm. The advantage of sympletic algorithm is proved
through the example of single pendulum. Through the simulation of
nanometric manufacturing, the accuracy of symp-lectic
algorithm is justified.
Key
words: Molecular
dynamics Symplectic algorithm Numerical integration Hamiltonian
system Nanomanufacturing
CLC No: O411.3
TG506
国家自然科学基金资助项目(059905019).
Received 20040520, received in revised form 20041019
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