Viscosity and normal stress forces of Lennard-Jones chains using reverse non-equilibrium molecular dynamics

dc.creatorRamírez González, Patsy Verónica
dc.creatorEscobar Barrios, Vladimir Alonso
dc.date2019-08-30T16:21:18Z
dc.date2019-08-30T16:21:18Z
dc.date2017
dc.date.accessioned2023-07-17T22:04:58Z
dc.date.available2023-07-17T22:04:58Z
dc.identifierPatsy V. Ramírez-González & Vladimir Alonso Escobar-Barrios (2017) Viscosity and normal stress forces of Lennard-Jones chains using reverse non-equilibrium molecular dynamics, Molecular Physics, 115:23, 2970-2977, DOI: 10.1080/00268976.2017.1340682
dc.identifierhttp://hdl.handle.net/11627/5145
dc.identifierhttps://doi.org/10.1080/00268976.2017.1340682
dc.identifier.urihttps://repositorioslatinoamericanos.uchile.cl/handle/2250/7544186
dc.description"Reverse non-equilibrium molecular dynamics was applied for the calculation of the viscosity for different chain lengths. Each chain consisted of m tangent spherical sites, where m was 1, 2, 4, 8 or 16, respectively. From these results, shear thinning was observed at high shear rates. The normal stress forces were also estimated via the calculation of the total stress tensor, and they were related to the shear thinning effect depending on the length of the chain. Furthermore, a power law equation was used to fit the rheological curves of each chain, making possible the calculation of the viscoelasticity as a function of the sites involved in the chains."
dc.formatapplication/pdf
dc.publisherTaylor & Francis
dc.rightsAttribution-NonCommercial-NoDerivatives 4.0 Internacional
dc.rightshttp://creativecommons.org/licenses/by-nc-nd/4.0/
dc.rightsAcceso Abierto
dc.subjectViscosity
dc.subjectViscoelasticity
dc.subjectNormal stress forces
dc.subjectNon-equilibrium molecular dynamics
dc.subjectLennard-Jones potential
dc.subjectQUÍMICA FÍSICA
dc.titleViscosity and normal stress forces of Lennard-Jones chains using reverse non-equilibrium molecular dynamics
dc.typearticle


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