Editing Bond fluctuation model
Jump to navigation
Jump to search
The edit can be undone. Please check the comparison below to verify that this is what you want to do, and then publish the changes below to finish undoing the edit.
| Latest revision | Your text | ||
| Line 3: | Line 3: | ||
[[Image:BFM 1.png|thumb|right]] | [[Image:BFM 1.png|thumb|right]] | ||
This model exhibits some advantages with respect to more conventional representations of the polymer in a lattice, such as fixed-bond | This model exhibits some advantages with respect to more conventional representations of the polymer in a lattice, such as fixed-bond self-avoiding walk chains on a simple cubic or [[tetrahedral lattice]]: | ||
*It is somehow more consistent with the theoretical description of the chain through Gaussianly distributed statistical segments. This description has been employed in the past to obtain useful analytical expression for equilibrium properties and its dynamical version corresponds to the [[Rouse model]]. | *It is somehow more consistent with the theoretical description of the chain through Gaussianly distributed statistical segments. This description has been employed in the past to obtain useful analytical expression for equilibrium properties and its dynamical version corresponds to the [[Rouse model]]. | ||
*A variety of bond lengths alleviate the restrictions due to the lattice constraints and, therefore, the model is more similar to the continuum | *A variety of bond lengths alleviate the restrictions due to the lattice constraints and, therefore, the model is more similar to the continuum behavior. | ||
*It is possible to perform simulations by using a single type elementary bead jumps. A bead jump is a simple translation of the bead to one of the six contiguous lattice units along the x, y or z axis.This is a difference with respect to the simple cubic lattice model where a combination of bent and crankshaft elementary moves involving two or three beads has to be used as the simplest local level. The implication is that one can generate dynamic trajectories with the bond fluctuation model by using a simple and natural type of bead jumps, which intuitively resembles the stochastic | *It is possible to perform simulations by using a single type elementary bead jumps. A bead jump is a simple translation of the bead to one of the six contiguous lattice units along the x, y or z axis.This is a difference with respect to the simple cubic lattice model where a combination of bent and crankshaft elementary moves involving two or three beads has to be used as the simplest local level. The implication is that one can generate dynamic trajectories with the bond fluctuation model by using a simple and natural type of bead jumps, which intuitively resembles the stochastic behavior of [[Brownian motion | Brownian particles]]. | ||
* The elementary jump moves can directly used in polymers with branch points ([[Star polymers |stars]], [[Polymer combs | combs]], [[dendrimers]]). | * The elementary jump moves can directly used in polymers with branch points ([[Star polymers |stars]], [[Polymer combs | combs]], [[dendrimers]]). | ||
==References== | ==References== | ||