We develop coarse-grained force fields for poly (vinyl alcohol) and poly (acrylic acid) oligomers. In both cases, one monomer is mapped onto a coarsegrained bead. The new force fields are designed to match structural properties such as radial distribution functions of various kinds derived by atomistic simulations of these polymers. The mapping is therefore constructed in a way to take into acc...

Hydroxyapatite (HAp) nanorod embedded composite was prepared using poly (vinyl alcohol) (PVA) as a matrix with different weight percentages (wt. %) The role of PVA composition on the crystallite size, degree of crystallinity, functional groups and morphology of nanocomposites were characterised by XRD, FTIR, and TEM analysis. The results indicated that the size and crystallinity of HAp nano par...

Polymer/metal nanocomposite containing intrinsically anisotropic metal nanostructures such as metal nanorods and nanowires appeared extremely more sensitive and responsive to mechanical stimuli than nanocomposites containing spherical nanoparticles. After uniaxial stretching of the supporting polymer matrix (poly(vinyl alcohol)), the elongated silver nanostructures embedded at low concentration...

Organic–inorganic hybrid materials have attracted much interest because of their novel and specific characteristics. One method to obtain these materials is in situ polymerization through free-radical polymerization. In this study, styrene monomers were covalently linked to silica (SiO2) using the suspension polymerization technique. In the reaction process, benzoyl peroxide was used as an init...