Effects of Magnetic Fields of Water Molecular Clusters

• Main Authors: Chih-Pang Chen, 陳志邦
• Other Authors: Cheng-I Weng
• Format: Others
• Language: zh-TW
• Published: 2004
• Online Access: http://ndltd.ncl.edu.tw/handle/51348363678567515888

碩士 === 國立成功大學 === 機械工程學系專班 === 92 === 　　The main purpose in this research was to discuss the effects on structure of clusters by water cluster of molecular dynamics simulations at ambient temperature and pressure conditions, with influence of magnetic field. The simulated physical space model adopted with the periodic boundary condition of 3-dimension (3D) while the potential function of water molecule Flexible three-Centered water model (F3C), in which contained bond angle, bond length, van der waals and coulomb electrostatic potential function. Because there were great disparities among the order of magnitude of various potential functions, a multiple time scale method in the time-domain integral step was adopted for saving the counting time. In additional, because Lorentz force under the influence of magnetic field is relating to the speed, we used the speed and location advanced by Spreiter and Walter in 1999 to revise and count it. 　　We concluded that the magnetic field indeed had great effect on the structure of clusters based on different intensities of magnetic field would have different bonding changes upon water molecule of clusters at different number.