Advanced School

Molecular and Continuum Modelling of Polymers:
Molecular Dynamics Meets Finite Elements

March 12th-14th, 2012

Programme

Monday, March 12-th, 2012
-
Arrival
Tuesday, March 13-th, 2012
09:00-10:30
Molecular Modelling
- Physical Chemesry of Polymers
- Statistical Mechanics
- Thermodynamic Ensembles
- Polymer scaling laws (RW,SAW)
10:30-11:00
Coffee Break
11:00-12:30
Continuum Modelling
- Kinematics
- Balance Laws
- Constitutive Modelling
12:30-14:30
Lunch
14:30-16:00
Molecular to Continuum Modelling
- Averaging Approaches
- Discrete versus Continuized Balance Laws
- Continuized Flux Quantities
16:00-16:30
Coffee Break
16:30-18:00
Constitutive Polymer Models
- Micromechanical Models
- Phenomenological Models
- Parameter Identification
19:00-20:00
Dinner
20:00-22:00
Open Discussion/Poster



Wednesday, March 14-th, 2012
09:00-10:30
Molecular Simulation of Polymers
- Molecular Dynamics
- Monte Carlo
- Examples
10:30-11:00
Coffee Break
11:00-12:30
Continuum Simulation of Polymers
- Numerical Treatment of Constitutive Equations
- Basic Finite Elements
- Advanced Finite Elements
- Examples
12:30-14:00
Lunch
14:30-16:00
Coupled Molecular/Continuum Simulation of Polymers
- Coupling Approaches
- Algorithms and Implementation
- Examples
16:00-16:30
Coffee Break
-
Departure