The ReaxFF molecular dynamics simulation and Monte Carlo method were adopted to analyze the pyrolysis process of cellulose in insulating papers from the perspective of microscopic atom. Molecular dynamics failed to continuously describe the motion behavior of an atom. According to this principle, the system can only calculate the atomic state on the node and then move the atom by a time step to continue calculating the atom. This paper would put forward the optimal step setting method of cellulose thermal decomposition in insulating paper: setting one step every other 0.1 fs. Specifically, for small molecules with a simple structure, such as H 2 O, the step size was set to 0.4 fs or less, while the step size of macromolecules with complex structures (CH 2 O 2) should be set to 0.2 fs or less. In addition, the relationship between the step size and the temperature to which the system was heated was given as well in this paper. In previous literatures, empirical values were used to set the step size. This study would not only provide a theoretical basis for the study on the bond formation and fracture process of cellulose pyrolysis products, but also offer the data and guidance for related fields in the future, thus rendering an efficient simulation process. INDEX TERMS Molecular dynamics, step size, cellulose, pyrolysis.
In this paper, mainly according to the selection of sugar cane seeds and the quality requirements for cutting, we design a cutting mechanism not only to cut off the sugar cane , but also can ensure the cutting sugarcane planting to achieve the agronomic requirements for sugar cane . The institution's overall ideas are as follows: first,measure different kinds of sugar cane planting in different cutting force and cutting speed in case of broken head.After preliminary analysis,gain cutting force,cutting speed ,the diameter of sugar cane ,the species of sugar cane ,cutting blade edge angle, cutting angle and cutting mode correlation.Then select the power transfer device and the working parts of the disk and blade according to the obtained data.Last design drive of belt wheel, drive shaft, bearing type, bearing cover through calculation and checking.The successful design and development of the institution of sugar cane cutting mechanism will be able to greatly reduce the labor intensity and production costs in the process of sugarcane planting.
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