Multiscale materials modeling

Multiscale Modeling of Polymeric Materials

Review of Project Objectives: Our overall objective for the three-year duration of this project is to design an adaptive, learning, simulation technique for polymers covering the range from atoms to coarsegrained chains, and apply the technique to the description of nanofilled polymers. Accomplishing this objective requires four activities, with the first two corresponding to the first two proj...

Multiscale constitutive modeling of polymer materials

........................................................................................................... 5 Chapter 1 Nomenclature ................................................................................................... 9 Introduction ............................................................................... 11 1.1 Motivation ......................................................

Multiscale modeling of emergent materials: biological and soft matter.

In this review, we focus on four current related issues in multiscale modeling of soft and biological matter. First, we discuss how to use structural information from detailed models (or experiments) to construct coarse-grained ones in a hierarchical and systematic way. This is discussed in the context of the so-called Henderson theorem and the inverse Monte Carlo method of Lyubartsev and Laaks...

Multiscale Design of Materials

Current methods of materials development, relying mostly on experimental tests, are slow and expensive, often taking over a decade and costing many millions of dollars to develop and certify new materials for critical applications. Finding new approaches for materials development is essential. Moreover, it will be increasingly important for materials development to be integrated into overall pr...

Multiscale modeling