| AMO |
Amorphous |
| BCC |
Body-Centered Cubic |
| CCAMs |
Chain-Connectivity-Altering Moves |
| CCE |
Characteristic Crystallographic Element (norm) |
| FCC |
Face Centered Cubic |
| FIV |
Fivefold |
| HCP |
Hexagonal Close Packed |
| HS |
Hard Sphere |
| KMC |
Kinetic Monte Carlo |
| MC |
Monte Carlo |
| MD |
Molecular Dynamics |
| PBC |
Periodic Boundary Condition |
| rHCP |
Random Hexagonal Close Packed |
| VC |
Voronoi Cell |
| List of variables |
| b |
asphericity |
|
bond length |
|
Kuhn length |
| c |
acylindricity |
|
mumerical tolerance in bond length |
|
second-order gyration tensor |
| I |
position index |
| k |
Boltzmann constant |
|
chain length, average, minimum-, maximum chain length |
|
number of trials in configurational bias schemes |
|
number of fivefold sites |
| N |
number of polymer chains |
|
number of frames |
|
total number of monomeric sites |
|
number of vertices of the Voronoi polyhedron |
|
distance between monomers i and j
|
|
position vector of a monomer. |
|
displacement from Voronoi Cell centroid vector |
|
radius of gyration |
|
end-to-end distance |
| s |
entropy |
|
order parameter for crystal type X
|
| T |
temperature |
|
hard sphere interaction energy |
| U |
internal energy |
|
volume, accessible volume, monomer volume, Voronoi cell volume |
|
accessible volume |
| Greek symbols |
|
conformational entropy difference per monomer |
|
translational entropy difference per monomer |
|
CCE-norm with respect to crystal type X
|
|
torsion angle |
|
relative shape anisotropy |
|
eigenvalues of
|
|
volume fraction |
|
volume fraction relative to maximum HS packing density
|
|
monomer diameter |
|
chemical potential |
|
Flory exponent |
|
total crystallinity |
|
bending angle |