Nonuniqueness of local stress of three-body potentials in molecular simulations.

@article{Nakagawa2016NonuniquenessOL,
  title={Nonuniqueness of local stress of three-body potentials in molecular simulations.},
  author={Koh M. Nakagawa and Hiroshi Noguchi},
  journal={Physical review. E},
  year={2016},
  volume={94 5-1},
  pages={
          053304
        }
}
Microscopic stress fields are widely used in molecular simulations to understand mechanical behavior. Recently, decomposition methods of multibody forces to central force pairs between the interacting particles have been proposed. Here, we introduce a force center of a three-body potential and propose different force decompositions that also satisfy the conservation of translational and angular momentum. We compare the force decompositions by stress-distribution magnitude and discuss their… Expand
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