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MOLECULAR DYNAMICS STUDIES OF BONDORIENTATIONAL ORDER IN MOLTEN AND QUENCHED-VITREOUS STATE OF LiCI 被引量:2
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作者 程兆年 罗学才 +2 位作者 马剑鹏 邵俊 陈念贻 《Science China Mathematics》 SCIE 1992年第2期223-234,共12页
In this paper, we give further discussions about our new method of bond spherical har-monics with equal number of near neighborst, and study the molten salt LiCl and itsquenching process by means of molecular dynamics... In this paper, we give further discussions about our new method of bond spherical har-monics with equal number of near neighborst, and study the molten salt LiCl and itsquenching process by means of molecular dynamics simulation. The bond order parametersQ_l at different temperatures are calculated by averaging the Q_l values of the computer-generated instantaneous configurations at each time-step. By consulting the Q_l histogramsof the linear combination models with a parameter of square deviation σ we find that theQ_l Listograms from the simulation and those from the combination model with 90% localtetrahedron structure are very similar. The results indicate that the local bond orientationin the quenched LiCl system tends strongly to be tetrahedron. The local bond-orientationalorders in the quenching process can be described by the same linear combination, but thesquare deviation varies with the temperature. The square deviation decreases with thelowering of temperature and drops rapidly when the glass transition takes place. The bondangle distributions are also calculated and it is found that the angles gather about 109°(the=bond angle of tetrahedron) and the peaks of the distributions Lave a wider spread as temper-iature increases, in accordance with the results from Q_l. 展开更多
关键词 molecolar dynamics simulation local structure bond-orientational order MOLTEN LICL quenched-vitreous state.
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Analysis of a 2D “liquid”plasma lattice 被引量:1
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作者 HUA Jianjun1, LIU Yanhong1 & ZHANG Zhihe2 1. Institute of Physics, Chinese Academy of Sciences, Beijing 100080, China 2. College of Biomedical Engineering, Capital University of Medical Sciences, Beijing 100054, China Correspondence should be addressed to Hua Jianjun (email: jj_hua@163.net) Received September 20, 2003 《Science China(Physics,Mechanics & Astronomy)》 SCIE EI CAS 2004年第1期129-136,共8页
To study the structural and dynamical properties of a 2D dusty plasma lattice, a set of experiments were performed in an environment of radio frequency discharge. Based on the results of one of the experiments, pair c... To study the structural and dynamical properties of a 2D dusty plasma lattice, a set of experiments were performed in an environment of radio frequency discharge. Based on the results of one of the experiments, pair correlation function, bond-orientational correlation function and mean square displacement of such a system were computed and analyzed. The bond-orientational correlation function is found to fit in with the law of e?r , and the mean square displacement is found to increase monotonously with time, both of which, together with the pair correlation function, indicate that the two-dimensional dusty plasma lattice formed in the experiment stayed in a “liquid” state. 展开更多
关键词 plasma lattice PAIR CORRELATION function bond-orientational CORRELATION function mean SQUARE displacement.
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