Tilt grain boundaries in a diblock copolymer ordered nanocomposite lamellar phase.
نویسنده
چکیده
A hybrid self-consistent field theory/density functional theory method is applied to predict tilt (kink) grain boundary structures between lamellar domains of a symmetric diblock copolymer with added spherical nanoparticles. Structures consistent with experimental observations are found and theoretical evidence is provided in support of a hypothesis regarding the positioning of nanoparticles. Some particle distributions are predicted for situations not yet examined by experiment.
منابع مشابه
Microphase separation in polyelectrolytic diblock copolymer melt: weak segregation limit.
The authors present a generalized theory of microphase separation for charged-neutral diblock copolymer melt. The stability limit of the disordered phase for salt-free melt has been calculated using random phase approximation (RPA) and self-consistent-field theory (SCFT). Explicit analytical free energy expressions for different classical ordered microstructures (lamellar, cylinder, and sphere)...
متن کاملMeasuring relative grain-boundary energies in block-copolymer microstructures.
The (relative) energies of symmetric tilt grain boundaries in a strongly segregated lamellar block copolymer are determined by analysis of the dihedral angles at grain-boundary triple junctions. The analysis reveals two regimes: at low and intermediate misorientations (corresponding to a tilt-angle range 0≤θ≤85°) the grain-boundary energy is found to depend on the tilt angle as E(θ)∼θ(x), with ...
متن کاملInterfaces and Grain Boundaries of Lamellar Phases
Interfaces between lamellar and disordered phases, and grain boundaries within lamellar phases, are investigated employing a simple Landau free energy functional. The former are examined using analytic, approximate methods in the weak segregation limit, leading to density profiles which can extend over many wavelengths of the lamellar phase. The latter are studied numerically and exactly. We fi...
متن کاملCoarse-grained molecular dynamics simulation on the placement of nanoparticles within symmetric diblock copolymers under shear flow.
We present molecular dynamics simulations coupled with a dissipative particle dynamics thermostat to model and simulate the behavior of symmetric diblock copolymer/nanoparticle systems under simple shear flow. We consider two categories of nanoparticles, one with selective interactions toward one of the blocks of a model diblock copolymer and the other with nonselective interactions with both b...
متن کاملInterfaces of Modulated Phases
Numerically minimizing a continuous free-energy functional which yields several modulated phases, we obtain the order-parameter profiles and interfacial free energies of symmetric and nonsymmetric tilt boundaries within the lamellar phase, and of interfaces between coexisting lamellar, hexagonal, and disordered phases. Our findings agree well with chevron, omega, and T-junction tilt-boundary mo...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید
ثبت ناماگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید
ورودعنوان ژورنال:
- The Journal of chemical physics
دوره 133 14 شماره
صفحات -
تاریخ انتشار 2010