Multiscale Constitutive Modeling of Polymer Materials

Valavala, Pavan K.; Odegard, Gregory M.

doi:10.1115/imece2007-41206

Cited by 7 publications

(13 citation statements)

References 163 publications

(160 reference statements)

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“…However, there exist a lot of physical models of plastic materials like (Necas and Hlavácek, 1981;Obst et al, 2015;Valavala, 2008;Ward and Sweeny, 2013). The identification of the reasons of material damage is generally very difficult.…”

Section: Introductionmentioning

confidence: 99%

The energetic and experimental based approach to description of basic material characteristics and mechanical properties of selected polymers

Kurpisz¹,

Obst²

2020

Journal of Theoretical and Applied Mechanics

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The paper presents a proposal of using an experimental phenomenological approach and energy based method to the modelling of mechanical properties of nonlinear elastic materials using examples of two selected polymers. On the basis of an experimental stress-strain relation, together with transversal deformation measurement and the geometrical interpretation of the deformation process, analytical forms of the strain energy density function and a pure volumetric part of the strain energy density function have been introduced. The volumetric part of energy has been used in the description of the material damage process interpreted as the appearance of the first plastic deformations, which is the original part of the work and continuous investigations carried out by Wegner and Kurpisz. All theoretical investigations have been illustrated using examples of PVC and PA-6.

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Section: Introductionmentioning

confidence: 99%

The energetic and experimental based approach to description of basic material characteristics and mechanical properties of selected polymers

Kurpisz¹,

Obst²

2020

Journal of Theoretical and Applied Mechanics

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“…This limitation on time scale can be overcome by the use of multiple samples of the modeled materials. [162] Regardless of the system being glassy or near the glass transition, the bulk material behavior can be imagined to be an average response from all the available conformational microstates.…”

Section: A Molecular Rvementioning

confidence: 99%

“…The operational temperature of most engineering polymers is much below the glass transition temperature, and thus many polymers are in a glassy state. It is expected that the approach described in the previous chapters will generally yield different predicted properties for different RVEs (for a given RVE size) [162,176]. The bulk polymer elastic behavior of the polymer system is assumed to be cumulative response of the various microstates and is determined using two different methods: simple averaging and a physically-motivated weighted-averaging scheme.…”

Section: Equivalent Continuum Propertiesmentioning

confidence: 99%

“…The optimal choice of an RVE for an amorphous nanostructured material remains a challenge. Although traditional methodologies have been applied to continuous materials [169], selection of nanometer-sized RVEs for discrete polymer structures has not been rigorously addressed [162,175]. Ostoja-Starzewski has established a statistical volume element (SVE) that approaches an RVE under certain limiting conditions [173,174].…”

Section: Introductionmentioning

confidence: 99%

“…Ostoja-Starzewski has established a statistical volume element (SVE) that approaches an RVE under certain limiting conditions [173,174]. A multiscale modeling approach has been recently developed to account for a range of conformational microstates of a polymeric network must be accounted for [162,176]. Physically-motivated statistical weighting of properties obtained from individual microstates for each polymer were utilized to establish bounds of the predicted moduli and are subsequently compared to experimentally-measured values of moduli for these materials.…”

Section: Introductionmentioning

confidence: 99%

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Multiscale constitutive modeling of polymer materials

Valavala¹

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Modeling of density of state for polyethylene–nanotubes nanocomposites

2021

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At the nanoscale system, the efficiency of carbon nanotube (CNT) reinforcement between the CNTs and polymer matrices in terms of interfacial load transferring is assessed for both nonfunctionalized and functionalized interfaces. The simulations of the mechanical properties (stress-strain) of polyethylene (PE)/CNT nanocomposites by the molecular dynamics are currently an area of discussion in the literature. In this work, PE considered as a thermoplastic material is studied, in which the characterization of its nanoscale load transfer has been carried out through the classification of representative nanoscale interface elements for nonfunctionalized CNTs for the diverse values of lengths and diameters. First, the main evaluations based on the density functional theory and the molecular dynamics method were used with the aim to examine the effect of PE monomers. Then, the effect of the diameter of CNTs with nonfunctionalization content on the electronic and mechanical properties of single-walled carbon nanotubes was examined. The findings reveal that the density of states highlights the absence of orbital hybridization between the PE monomers and nanotubes, whereas the Mulliken charge analysis depicts that the PE polymer produces a positive charge that is directly proportional to the number of monomers with many chains of PE and different diameters of CNTs. The decrease in diameters implies an increase in nanocomposites stress. In addition, the results show that the reinforcements in the longitudinal direction are more promising than those in the transverse direction.

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Multiscale Constitutive Modeling of Polymer Materials

Cited by 7 publications

References 163 publications

The energetic and experimental based approach to description of basic material characteristics and mechanical properties of selected polymers

The energetic and experimental based approach to description of basic material characteristics and mechanical properties of selected polymers

Multiscale constitutive modeling of polymer materials

Modeling of density of state for polyethylene–nanotubes nanocomposites

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