Linear response and stability of ordered phases of block copolymer melts

被引:73
作者
Ranjan, Amit [1 ]
Qin, Jian [1 ]
Morse, David C. [1 ]
机构
[1] Univ Minnesota, Dept Chem Engn & Mat Sci, Minneapolis, MN 55455 USA
基金
美国国家科学基金会;
关键词
D O I
10.1021/ma0714316
中图分类号
O63 [高分子化学(高聚物)];
学科分类号
070305 ; 080501 ; 081704 ;
摘要
An efficient pseudo-spectral numerical method is introduced for calculating a self-consistent field (SCF) approximation for the linear susceptibility of ordered phases in block copolymer melts (sometimes referred to as the random phase approximation). Our method is significantly more efficient than that used in the first calculations of this quantity by Shi and Laradji and co-workers, allowing for the study of more strongly segregated structures. We have re-examined the stability of several phases of diblock copolymer melts and find that some conclusions of Laradji et al. regarding the stability of the gyroid phase were the result of insufficient spatial resolution. We find that an epitaxial (k = 0) instability of the gyroid phase with respect to the hexagonal phase that was considered previously by Matsen competes extremely closely with an instability that occurs at a nonzero crystal wavevector k.
引用
收藏
页码:942 / 954
页数:13
相关论文
共 27 条
[1]  
[Anonymous], 1975, THEORY BRILLOUIN ZON
[2]  
Ashcroft N W., 1976, Solid State Physics
[3]   Theory of Brilloum zones and symmetry properties of wave functions in crystals [J].
Bouckaert, LP ;
Smoluchowski, R ;
Wigner, E .
PHYSICAL REVIEW, 1936, 50 (01) :58-67
[4]   Stability of the gyroid phase in diblock copolymers at strong segregation [J].
Cochran, EW ;
Garcia-Cervera, CJ ;
Fredrickson, GH .
MACROMOLECULES, 2006, 39 (07) :2449-2451
[5]  
De Gennes PG., 1979, SCALING CONCEPTS POL
[6]  
Deuflhard P., 2002, TEXTS APPL MATH, V42
[7]  
Fredrickson G. H., 2006, The Equilibrium Theory of Inhomogeneous Polymers
[8]   Stability of ordered phases in diblock copolymer melts [J].
Laradji, M ;
Shi, AC ;
Noolandi, J ;
Desai, RC .
MACROMOLECULES, 1997, 30 (11) :3242-3255
[9]   Stability of ordered phases in weakly segregated diblock copolymer systems [J].
Laradji, M ;
Shi, AC ;
Desai, RC ;
Noolandi, J .
PHYSICAL REVIEW LETTERS, 1997, 78 (13) :2577-2580
[10]   THEORY OF MICROPHASE SEPARATION IN BLOCK CO-POLYMERS [J].
LEIBLER, L .
MACROMOLECULES, 1980, 13 (06) :1602-1617