softmatter:Main Page
From NSDL Materials Digital Library Soft Matter Wiki
Soft materials are materials such as polymers, biomolecules, liquid crystals, surfactants, and proteins that are typically organic and can be melted and processed at moderate temperatures as compared with inorganic materials like metals and ceramics. Typically, soft materials have weak interactions among molecular or supramolecular components and are often either amorphous or can self-assemble from the liquid state. There are often many levels of complexity with heirarchical, supramolecular structures that can be cooperative and far from equilibrium. We are most often concerned with the structural arrangments, viscoelastic rheology, and/or mechanical behavior of these materials. Within these pages, you will find information pertinent to soft matter and nanomaterials, with a specific focus on computational methods and modeling. For more on the development, see the Soft Matter Wiki Info.
Contents |
Course Materials
- Computational Nanoscience of Soft Matter, ChE/MSE 557 University of Michigan (Authentication Required).
Overview of Contents
Either browse pages below, use the search field to the left, or view contents organized by category.
Interactions:
Non-bonded Interactions:
- Lennard-Jones Potential
- Weeks-Chandler-Andersen Potential
- Hard Sphere Potential
- Square-Well Potential
- Dzugutov Potential
- Yukawa Potential
- van der Waals interaction
- Electrostatic interaction
Bonded Interactions:
Rigid Body Interactions:
Simulation:
Simulation Methods:
- Basic Dynamical Simulation Methodology
- Molecular Dynamics Simulation (MD)
- Brownian Dynamics Simulation (BD)
- Dissipative Particle Dynamics Simulation (DPD)
- Monte Carlo Simulation (MC)
- Time-Dependent Ginzburg-Landau (TDGL)
- Car-Parinello Dynamics
- MC and MD in Various Ensembles
- Deterministic and Stochastic Methods Compared
Integration Schemes:
- Verlet Algorithm
- Leapfrog Algorithm
- Velocity Verlet Algorithm
- Gear Predictor-Corrector Algorithm
- Beeman Algorithm
- Velocity-corrected Verlet Algorithm
- Euler Algorithm
Thermostats:
Barostats:
Simulation/Misc. Terms:
Optimization:
Experiment
Analysis Methods:
Structure:
- Radial Distribution Function
- Intermediate Scattering Function
- Scattering Function
- Structure Factor
- Nematic Order Parameter
- Residual YLM
Dynamics:
Quantities:
- Thermodynamic variables
- Heat capacity
- Diffusion
- Calculating the diffusion coefficient
- Radius of Gyration
- Characteristic ratio (polymer)
Material Classification:
- Polymer
- Polyelectrolyte
- Amphiphile
- Block Copolymer
- Liquid Crystal
- Surfactant
- Collloid
- Tethered Building Block
- Patchy Particle
- Ceramic
- Metal
- Semiconductor
- Nanoparticle
- POSS
- Freely jointed polymer
- Ideal Gas
System Classification:
- Block fraction
- Volume fraction
- Excluded volume ratio
- Number Density
- Flory-Huggins Chi Parameter
- Israelachvili packing factor
- Phase Diagram
- Polydispersity
Structure Classification:
Structures:
- Face Centered Cubic (FCC)
- Body Centered Cubic (BCC)
- Simple Cubic (SC)
- Hexagonally Close Packed (HCP)
- Diamond
- Quasicrystal (QC)
- Polytetrahedral Clusters
- Icosahedra
- Glass
Microphases:
- Spherical Micelles
- Cubically Ordered Spherical Micelles
- Hexagonally Packed Cylindrical Micelles
- Double Gyroid
- Perforated Lamella
- Lamella
