bond_fene.txt
d8e3722af2e3lammm-master-deprecated

bond_fene.txt
View Options

			"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c

			:link(lws,http://lammps.sandia.gov)
			:link(ld,Manual.html)
			:link(lc,Section_commands.html#comm)

			:line

			bond_style fene command :h3

			[Syntax:]

			bond_style fene :pre

			[Examples:]

			bond_style fene
			bond_coeff 1 30.0 1.5 1.0 1.0 :pre

			[Description:]

			The {fene} bond style uses the potential

			:c,image(Eqs/bond_fene.jpg)

			to define a finite extensible nonlinear elastic (FENE) potential
			"(Kremer)"_#Kremer, used for bead-spring polymer models. The first
			term is attractive, the 2nd Lennard-Jones term is repulsive. The
			first term extends to R0, the maximum extent of the bond. The 2nd
			term is cutoff at 2^(1/6) sigma, the minimum of the LJ potential.

			The following coefficients must be defined for each bond type via the
			"bond_coeff"_bond_coeff.html command as in the example above, or in
			the data file or restart files read by the "read_data"_read_data.html
			or "read_restart"_read_restart.html commands:

			K (energy/distance^2)
			R0 (distance)
			epsilon (energy)
			sigma (distance) :ul

			[Restrictions:] none

			[Related commands:]

			"bond_coeff"_bond_coeff.html, "delete_bonds"_delete_bonds.html

			[Default:] none

			:line

			:link(Kremer)
			[(Kremer)] Kremer, Grest, J Chem Phys, 92, 5057 (1990).