Atomic Scale Mechanisms of Stress Production in Elastomers

Abstract

We outline a series of molecular dynamics computations that reveal an intimate connection at the atomic scale between difference stress (which resists stretches) and pressure (which resists volume changes) in an idealized elastomer, in contrast to the classical theory of rubber elasticity. Our model predicts behavior that is in good agreement with experimental data of D.L. Quested, K.D. Pae, J.L. Sheinbein and B.A. Newman, J. Appl. Phys, 52, (10), 5977 (1981) for the influence of pressure on the difference stress induced by stretching solithane. Further studies along these lines offer opportunities to elucidate the atomic scale mechanisms that control the constitutive behavior of polymers, with the long-term goal of atomic scale materials design.