The microscopic stress field provides a unique connection between atomistic simulations and mechanics at the nanoscale. However, its definition remains ambiguous. Rather than a mere theoretical preoccupation, we show that this fact acutely manifests itself in local stress calculations of defective graphene, lipid bilayers, and fibrous proteins. We find that popular definitions of the microscopic stress violate the continuum statements of mechanical equilibrium, and we propose an unambiguous and physically sound definition.

Back to Top

Published on 01/01/2015

DOI: 10.1103/PhysRevLett.114.258102

Licence: CC BY-NC-SA license

Bilayers • Decomposition • Dynamics simulations • Efficient • Fluids • Graphene • Pressure • Statistical-mechanics • Strength • Tensor

Are you one of the authors of this document?