Understanding and modeling polymers: The challenge of multiple scales

F Schmid - ACS Polymers Au, 2022 - ACS Publications
Polymer materials are multiscale systems by definition. Already the description of a single
macromolecule involves a multitude of scales, and cooperative processes in polymer …

[HTML][HTML] Nonlinear glassy rheology

T Voigtmann - Current opinion in colloid & interface science, 2014 - Elsevier
Dense colloidal suspensions and related glass-forming fluids show pronounced nonlinear
(non-Newtonian) flow effects, since slow internal relaxation competes with the imposed …

Granular micromechanics model for damage and plasticity of cementitious materials based upon thermomechanics

A Misra, P Poorsolhjouy - Mathematics and Mechanics of …, 2020 - journals.sagepub.com
The mechanical behavior of monolithic cementitious materials is known to be significantly
affected by their granular nature. This paper describes an approach to incorporate the …

Thermomechanics-based nonlinear rate-dependent coupled damage-plasticity granular micromechanics model

A Misra, V Singh - Continuum Mechanics and Thermodynamics, 2015 - Springer
Thermomechanics and granular micromechanics approaches are combined to derive
constitutive equations for modeling rate-dependent granular materials with damage and …

Molecular dynamics simulation of microscopic friction mechanisms of amorphous polyethylene

S Zhan, H Xu, H Duan, L Pan, D Jia, J Tu, L Liu, J Li - Soft Matter, 2019 - pubs.rsc.org
Determining the nature of the microscopic mechanism of tribological properties by
experimental methods for a polymer material surface/interface in the sliding friction process …

Molecular Dynamics Study of Protein Aggregation at Moving Interfaces

T Sarter, W Friess - Molecular Pharmaceutics, 2024 - ACS Publications
Repeated compression and dilation of a protein film adsorbed to an interface lead to
aggregation and entry of film fragments into the bulk. This is a major mechanism for protein …

Granular micromechanics model of anisotropic elasticity derived from Gibbs potential

A Misra, P Poorsolhjouy - Acta Mechanica, 2016 - Springer
This paper presents a Gibbs potential-based granular micromechanics approach capable of
modeling materialswith complete anisotropy. The deformation energy of each grain–pair …

Asphalt pavement rutting simulated using granular micromechanics-based rate-dependent damage-plasticity model

A Misra, V Singh, MK Darabi - International Journal of Pavement …, 2019 - Taylor & Francis
Repeated application of vehicle loads on the asphalt pavement creates permanent
deformations and surface cracks. Simulation of this pavement distress has posed severe …

Simulated glass-forming polymer melts: Dynamic scattering functions, chain length effects, and mode-coupling theory analysis

S Frey, F Weysser, H Meyer, J Farago, M Fuchs… - The European Physical …, 2015 - Springer
We present molecular-dynamics simulations for a fully flexible model of polymer melts with
different chain length N ranging from short oligomers (N= 4) to values near the entanglement …

Insights into nanomechanical behavior of B. mori silk fibroin-hydroxyapatite bio-nanocomposite using MD simulations: Role of varying hydroxyapatite content

M Patel, SP Singh, DK Dubey - Journal of the Mechanical Behavior of …, 2023 - Elsevier
Nanocomposite material composed of Bombyx mori Silk Fibroin and hydroxyapatite (B. mori
SF-HA) is a potential biomaterial for bone tissue engineering. Here, Bombyx mori Silk …