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Listar por palabra clave "Bond fluctuation model"

Mostrando ítems 1-4 de 4

A Definition of Dynamically Accessible Volume for Thermal Systems

Molina Mateo, José; Meseguer Dueñas, José María; Gómez Ribelles, José Luís (John Wiley & Sons, 2006-01-16)

[EN] The glass transition and physical aging processes of a polymeric material have been simulated using the bond fluctuation model. Two potentials that represent intra- and inter-molecular interactions have been employed. ...
Conformation and dynamics of a diluted chain in the presence of an adsorbing wall: A simulation with the bond fluctuation model

Sabater i Serra, Roser; Torregrosa Cabanilles, Constantino; Meseguer Dueñas, José María; Gómez Ribelles, José Luís; Molina Mateo, José (Elsevier, 2014-10-15)

The bond fluctuation model has been used to simulate the adsorption process of a single long polymer chain on an adsorbing surface. Simulations start at high temperature with the chain in an equilibrium coil structure. The ...
Conformation and segmental mobility of a dilutes single polymer chain simulated with bond fluctuation model

Sabater i Serra, Roser; Torregrosa Cabanilles, Constantino; Meseguer Dueñas, José María; Gómez Ribelles, José Luís; Molina Mateo, José (Elsevier, 2012-07-01)

The conformation of a single long polymer chain has been modelled using the Bond Fluctuation Model. The interaction between non-bonded segments has been introduced in the model by means of a Lennard-Jones potential while ...
On the role of inter- and intra-molecular potentials in the simulation of vitrification with the bond fluctuation model

Molina Mateo, José; Meseguer Dueñas, José María; Gómez Ribelles, José Luís (Elsevier, 2005-08-23)

[EN] The glass transition of linear chain polymers was simulated by means of the bond fluctuation model, employing a Lennard¿Jones inter-molecular potential and a bond-length intra-molecular potential. The influence of the ...

Mostrando ítems 1-4 de 4

Listar por palabra clave "Bond fluctuation model"

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