dc.contributor.author Torres Sánchez, Alejandro dc.contributor.author Vanegas, Juan Manuel dc.contributor.author Arroyo Balaguer, Marino dc.contributor.other Universitat Politècnica de Catalunya. Departament d'Enginyeria Civil i Ambiental dc.date.accessioned 2018-02-02T18:10:15Z dc.date.available 2018-09-01T00:30:40Z dc.date.issued 2016-08 dc.identifier.citation Torres, A., Venegas, J., Arroyo, M. Geometric derivation of the microscopic stress: a covariant central force decomposition. "Journal of the mechanics and physics of solids", Agost 2016, vol. 93, p. 224-239. dc.identifier.issn 0022-5096 dc.identifier.uri http://hdl.handle.net/2117/113657 dc.description.abstract We revisit the derivation of the microscopic stress, linking the statistical mechanics of particle systems and continuum mechanics. The starting point in our geometric derivation is the Doyle-Ericksen formula, which states that the Cauchy stress tensor is the derivative of the free-energy with respect to the ambient metric tensor and which follows from a covariance argument. Thus, our approach to define the microscopic stress tensor does not rely on the statement of balance of linear momentum as in the classical Irving-Kirkwood-Noll approach. Nevertheless, the resulting stress tensor satisfies balance of linear and angular momentum. Furthermore, our approach removes the ambiguity in the definition of the microscopic stress in the presence of multibody interactions by naturally suggesting a canonical and physically motivated force decomposition into pairwise terms, a key ingredient in this theory. As a result, our approach provides objective expressions to compute a microscopic stress for a system in equilibrium and for force-fields expanded into multibody interactions of arbitrarily high order. We illustrate the proposed methodology with molecular dynamics simulations of a fibrous protein using a force-field involving up to 5-body interactions. dc.format.extent 16 p. dc.language.iso eng dc.rights Attribution-NonCommercial-NoDerivs 3.0 Spain dc.rights.uri http://creativecommons.org/licenses/by-nc-nd/3.0/es/ dc.subject Àrees temàtiques de la UPC::Matemàtiques i estadística::Estadística matemàtica dc.subject.lcsh Statistical mechanics dc.subject.other Continuum mechanics dc.subject.other Doyle-Ericksen formula dc.subject.other Microscopic stress tensor dc.subject.other Statistical mechanics dc.title Geometric derivation of the microscopic stress: a covariant central force decomposition dc.type Article dc.subject.lemac Mecànica estadística dc.contributor.group Universitat Politècnica de Catalunya. LACÀN - Mètodes Numèrics en Ciències Aplicades i Enginyeria dc.identifier.doi 10.1016/j.jmps.2016.03.006 dc.description.peerreviewed Peer Reviewed dc.relation.publisherversion http://www.sciencedirect.com/science/article/pii/S0022509616301557 dc.rights.access Open Access local.identifier.drac 18753949 dc.description.version Postprint (author's final draft) local.citation.author Torres, A.; Venegas, J.; Arroyo, M. local.citation.publicationName Journal of the mechanics and physics of solids local.citation.volume 93 local.citation.startingPage 224 local.citation.endingPage 239
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