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- Denis Davydov, Evangelos Voyiatzis, +18 authors FLORIAN MÜLLER-PLATHE
- 2017

- Evangelos Voyiatzis
- Computer Physics Communications
- 2013

A rigorous approach to computing the mechanical properties of solids is based on the stressfluctuation formalism. The main advantages of this route are its applicability to both homogeneous and inhomogeneous systems and its fast convergence compared to strain-fluctuation based methods. However, its implementation has been hindered by the complexity of… (More)

- Evangelos Voyiatzis, Florian Müller-Plathe, Michael C Böhm
- Physical chemistry chemical physics : PCCP
- 2014

The range of validity of the Rosenfeld and Dzugutov excess entropy scaling laws is analyzed for unentangled linear polyethylene chains. We consider two segmental dynamical quantities, i.e. the bond and the torsional relaxation times, and two global ones, i.e. the chain diffusion coefficient and the viscosity. The excess entropy is approximated by either a… (More)

- Evangelos Voyiatzis, Michael C. Böhm, Florian Müller-Plathe
- Computer Physics Communications
- 2015

- Evangelos Voyiatzis, Michael C Böhm
- Journal of physics. Condensed matter : an…
- 2016

Analytical expressions for the stress and elasticity tensors of materials, in which the interactions are described by the Stillinger-Weber potential, are derived in the context of the stress fluctuation formalism. The derived formulas can be used both in Monte Carlo and molecular dynamics simulations. As an example of possible applications, they are… (More)

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