Molecular Dynamics Simulation Of The Thermodynamic Properties And Crystallization Of Amorphous Silicon Or Monocrystalline Silicon Which Be Strained

In this paper, by using molecular dynamics simulation method，mainly studies twoaspects，One is a monocrystalline silicon and amorphous silicon in different tension andcompression ratio of case，observe energy variation in the process of curve characteristicsof their own at a temperature within the heating，and finds out some laws，Two is the firstamorphous silicon and monocrystalline silicon organic unifies in together by use ofmolecular dynamics method.At the change in appropriate temperature,and to observe therate and effecin of the amorphous silicon crystallization under in a different direction anddifferent ratio of tensile and compression,and to observe and to compare the degree ofcrystallization and crystallization effect which under the conditions.For Monocrystalline silicon and amorphous silicon tensile and compression studyshows:At different ratio of tension and compression condition, The phase transition pointtemperature of monocrystalline silicon there is a certain variation in the heatingprocess,While the amorphous silicon energy jump point position also produced change.Monocrystalline silicon and amorphous silicon with the increase in tensile, The energychange of temperature is reduced gradually, Under the condition of compression iscomplex.For crystallization of amorphous silicon by in Monocrystalline silicon induced studiesshows:In the same direction and in different directions during the stretching processshown in the crystallization rate and crystallization effect is also different，In thehorizontal，under the condition of small tension or compression ratio，crystallizationeffect can be strengthened along with the strengthened of degree of deformation. In alongitudinal direction，crystallization effect of amorphous silicon of tensile deformationas the level of stretch decreases. under the condition of the small compression degree,crystallization effect is better and better.In short, In the lateral and the respectivelongitudinal tensile and compressive condition, In addition to longitudinal stretchingoutside, the remaining three modes of deformation as long as the degree of deformationsmall range, crystallization effect can be strengthened along with the strengthened ofdegree of deformation too.