Mark A. Tschopp

TL;DR: In this article, molecular dynamics simulations were used to study deformation mechanisms during uniaxial tensile deformation of an amorphous polyethylene polymer, and the energy contributions from the united atom potential were calculated as a function of strain to help elucidate the inherent deformation mechanism within the elastic, yield, and strain hardening regions.

TL;DR: In this article, the effect of grain boundary energy and disorientation angle on the boundary sink strength was explored; the strongest correlation occurred between the grain boundary energies and the mean point defect formation energies.

TL;DR: In this paper, the energy of asymmetric tilt grain boundaries in Cu and Al was investigated using atomistic simulations, and the authors found that asymmetric boundaries with low index normals do not necessarily have lower energies than boundaries with similar inclination angles.

TL;DR: In this paper, a nonlinear conjugate gradient algorithm was employed along with an embedded atom method potential for Cu and Al to generate the equilibrium 0'K grain boundary structures.

TL;DR: In this paper, a simple model was proposed to illustrate the impact of interfacial porosity and stresses acting on the slipplane in non-glide directions on tensile interface strength.