Autor según el artículo: Naseri, Ali; Perez, Clara Saluena; Avalos, Josep Bonet
Departamento: Enginyeria Química
Autor/es de la URV: Bonet Avalos, José / Salueña Pérez, Clara
Palabras clave: Equatio Fluctuations Simulation
Resumen: We derive the algorithms for the dynamics of the standard dissipative particle dynamics model (DPD) for a velocity-dependent friction coefficient. By introducing simple estimators of the local rate of strain we propose an interparticle friction coefficient that decreases for high deformation rates, eventually leading to the macroscopic shear-thinning behaviour. We have derived the appropriate fluctuation-dissipation theorems that include the correction of the spurious behaviour due to the coupling of the non-linear friction and the fluctuations. The consistency of the model has been numerically investigated, including the Maxwell-Boltzmann distribution for the particle velocities as well as the comparison with the standard linear model for various stresses. The shear-thinning behaviour is clearly reported. Finally, along with the important methodological aspects related to the derivation of the algorithms for non-linear interparticle friction, we introduce a novel two-step algorithm that permits us the integration of the dynamic equations of the DPD model without the explicit derivation of the corrective terms due to the spurious behaviour.
Áreas temáticas: Astronomia / física Biodiversidade Biotecnología Chemistry, physical Ciência da computação Ciência de alimentos Ciências agrárias i Ciências ambientais Ciências biológicas i Ciências biológicas ii Engenharias ii Engenharias iii Engenharias iv Ensino Farmacia General medicine General physics and astronomy Geociências Interdisciplinar Matemática / probabilidade e estatística Materiais Medicina i Medicina ii Odontología Physical and theoretical chemistry Physics and astronomy (all) Physics and astronomy (miscellaneous) Physics, atomic, molecular & chemical Química
Acceso a la licencia de uso: https://creativecommons.org/licenses/by/3.0/es/
Direcció de correo del autor: josep.bonet@urv.cat clara.saluena@urv.cat
Identificador del autor: 0000-0002-7339-9564 0000-0001-7595-8588
Fecha de alta del registro: 2025-03-03
Versión del articulo depositado: info:eu-repo/semantics/publishedVersion
Referencia al articulo segun fuente origial: Physical Chemistry Chemical Physics. 27 (1): 190-205
Referencia de l'ítem segons les normes APA: Naseri, Ali; Perez, Clara Saluena; Avalos, Josep Bonet (2024). Non-Newtonian dynamics modelled with non-linear transport coefficients at the mesoscale by using dissipative particle dynamics. Physical Chemistry Chemical Physics, 27(1), 190-205. DOI: 10.1039/d4cp02951h
URL Documento de licencia: https://repositori.urv.cat/ca/proteccio-de-dades/
Entidad: Universitat Rovira i Virgili
Año de publicación de la revista: 2024
Tipo de publicación: Journal Publications