Silica–silane coupling agent interphase properties using molecular dynamics simulations

Molecular dynamics simulations of the structure and mechanical properties of silica glass using ReaxFF

(2016) Sanjib C. Chowdhury et al.   JOURNAL OF MATERIALS SCIENCE

The ReaxFF reactive force-field: development, applications and future directions

(2016) Thomas P Senftle et al.   npj Computational Materials

Finite element analysis of the microdroplet test method using cohesive zone model of the fiber/matrix interface

(2013) Subramani Sockalingam et al.   COMPOSITES PART A-APPLIED SCIENCE AND MANUFACTURING

Exploring the conformational and reactive dynamics of biomolecules in solution using an extended version of the glycine reactive force field

(2013) Susanna Monti et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Simulation of Forces between Humid Amorphous Silica Surfaces: A Comparison of Empirical Atomistic Force Fields

(2012) Sabine Leroch et al.   Journal of Physical Chemistry C

Dynamics of Confined Reactive Water in Smectite Clay–Zeolite Composites

(2012) Michael C. Pitman et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Curing Temperature Effects on Network Structure and Chemistry of Silane Coupling Agent Layers and Their Influence on Water-Assisted Crack Growth

(2011) Elizabeth Pavlovic et al.   The Journal of Adhesion

A reactive molecular dynamics simulation of the silica-water interface

(2010) Joseph C. Fogarty et al.   JOURNAL OF CHEMICAL PHYSICS

A unified potential-based cohesive model of mixed-mode fracture

(2008) Kyoungsoo Park et al.   JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS