Molecular Dynamics Simulations of Polymer Grouting Material: Its Mechanical Behavior under Uniaxial Tension, Cyclic Tensile Loading, and Stress Relaxation

Abstract

At present, polyurethane (PU) has been extensively used as a grouting material in civil engineering. The mechanical properties of PU are the key to achieving the desirable grouting effect. This study presents the research results of the mechanical behavior of PU matrix under tensile, successive cyclic tensile, and stress relaxation at the nanoscale, using the coarse-grained molecular dynamics simulation method. The influences of the number of molecule chains and strain rate on the tensile mechanical properties are discussed, and the tensile deformation mechanism of PU matrix is revealed. The tensile strength of PU matrix is independent of loading path, and after yielding, the strain of PU matrix contains the elastic strain, plastic strain, and viscous strain. In the stress relaxation process, the evolution of the axial stress is mainly caused by the varied van der Waals interactions. The stress relaxation behavior of PU matrix can be described by the viscoelastic model consisting of one elastic element in parallel with one Maxwell element.