Molecular dynamics simulation study on the phase behavior of the Gay-Berne model with a terminal dipole and a flexible tail.
暂无分享,去创建一个
[1] M. Doi,et al. A general-purpose coarse-grained molecular dynamics program , 2002 .
[2] M. Doi,et al. Parameterization of the Gay-Berne Potential for nCB and Molecular Dynamics Simulation of 5CB , 2001 .
[3] Claudio Zannoni,et al. Advances in the Computer Simulations of Liquid Crystals , 2000 .
[4] M. P. Allen,et al. Simulation study of the phase behavior of a primitive model for thermotropic liquid crystals: Rodlike molecules with terminal dipoles and flexible tails , 2000 .
[5] M. Ishitobi. Monte Carlo Simulation of Liquid Crystal Using Extended Inter-Molecular Potential , 2000 .
[6] Luis F. Rull,et al. EFFECT OF DIPOLAR INTERACTIONS ON THE PHASE BEHAVIOR OF THE GAY-BERNE LIQUID CRYSTAL MODEL , 1998 .
[7] G. Jackson,et al. The effect of dipolar interactions on the liquid crystalline phase transitions of hard spherocylinders with central longitudinal dipoles , 1998 .
[8] Mark R. Wilson,et al. Molecular dynamics simulations of flexible liquid crystal molecules using a Gay-Berne/Lennard-Jones model , 1997 .
[9] G. Jackson,et al. Reaction-field and Ewald summation methods in Monte Carlo simulations of dipolar liquid crystals , 1997 .
[10] D. Lévesque,et al. MONTE CARLO STUDY OF A SEMIFLEXIBLE LIQUID CRYSTAL MODEL : THE SMECTIC PHASE , 1997 .
[11] Kroeger,et al. Molecular dynamics of model liquid crystals composed of semiflexible molecules. , 1996, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics.
[12] G. Penna,et al. A rigid core‐flexible chain model for mesogenic molecules in molecular dynamics simulations of liquid crystals , 1996 .
[13] Cleaver,et al. Extension and generalization of the Gay-Berne potential. , 1996, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics.
[14] S. Kondo,et al. Monte Carlo simulations using the dipolar Gay-Berne model: effect of terminal dipole moment on mesophase formation , 1996 .
[15] S. Kondo,et al. Monte Carlo simulations on mesophase formation using dipolar Gay–Berne model , 1996 .
[16] D. Lévesque,et al. Monte Carlo study of the thermodynamic stability of the nematic phase of a semiflexible liquid crystal model , 1995 .
[17] B. Fung,et al. A simplified approach to molecular dynamics simulations of liquid crystals with atom–atom potentials , 1994 .
[18] A. Komolkin,et al. Molecular dynamics simulation of a nematic liquid crystal , 1994 .
[19] J. Brickmann,et al. Computer simulation studies of a model system for liquid crystals consisting of semiflexible molecules , 1994 .
[20] G. R. Luckhurst,et al. Computer simulation studies of anisotropic systems: XXI. Parametrization of the Gay-Berne potential for model mesogens , 1993 .
[21] William L. Jorgensen,et al. Monte Carlo simulations of the hydration of substituted benzenes with OPLS potential functions , 1993, J. Comput. Chem..
[22] J. Banavar,et al. Computer Simulation of Liquids , 1988 .
[23] G. Oweimreen,et al. Density measurements in the nematic and isotropic phases of 5CB and dilute solutions of tetraethylmethane in 5CB , 1986 .
[24] William L. Jorgensen,et al. Optimized intermolecular potential functions for liquid hydrocarbons , 1984 .
[25] H. Berendsen,et al. Molecular dynamics with coupling to an external bath , 1984 .
[26] Martin Neumann,et al. Dipole moment fluctuation formulas in computer simulations of polar systems , 1983 .
[27] H. C. Andersen. Rattle: A “velocity” version of the shake algorithm for molecular dynamics calculations , 1983 .
[28] S. Roy,et al. Birefringence and order parameter of some alkyl and alkoxycyanobiphenyl liquid crystals , 1983 .
[29] W. C. Swope,et al. A computer simulation method for the calculation of equilibrium constants for the formation of physi , 1981 .
[30] W. Howells,et al. The self-diffusion tensor for two nematic liquid crystals from incoherent quasi-elastic neutron scattering at low momentum transfer , 1975 .
[31] W. Haase,et al. The crystal structures of two solid phases of 4-cyano-4'-ethyl-biphenyl , 1992 .
[32] W. H. Jeu,et al. A molecular dynamics study of the nematic phase of 4-n-pentyl-4'-cyanobiphenyl , 1989 .
[33] D. Chandler,et al. Introduction To Modern Statistical Mechanics , 1987 .
[34] G. W. Gray. Thermotropic liquid crystals , 1987 .