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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Benzerara, Olivier
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Topics
Publications (6/6 displayed)
- 2022Role of torsional potential in chain conformation, thermodynamics, and glass formation of simulated polybutadiene meltscitations
- 2018Shear-stress fluctuations and relaxation in polymer glassescitations
- 2017Numerical determination of shear stress relaxation modulus of polymer glassescitations
- 2012Mechanical behavior of linear amorphous polymers: Comparison between molecular dynamics and finite-element simulationscitations
- 2010Molecular dynamics simulations as a way to investigate the local physics of contact mechanics: a comparison between experimental data and numerical resultscitations
- 2010Molecular dynamics simulations of the chain dynamics in monodisperse oligomer melts and of the oligomer tracer diffusion in an entangled polymer matrixcitations
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article
Numerical determination of shear stress relaxation modulus of polymer glasses
Abstract
Focusing on simulated polymer glasses well below the glass transition, we confirm the validity and the efficiency of the recently proposed simple-average expression G(t) = mu(A)-h(t) for the computational determination of the shear stress relaxation modulus G(t). Here, mu(A) = G(0) characterizes the affine shear transformation of the system at t = 0 and h(t) the mean-square displacement of the instantaneous shear stress as a function of time t. This relation is seen to be particularly useful for systems with quenched or sluggish transient shear stresses which necessarily arise below the glass transition. The commonly accepted relation G(t) = c(t) using the shear stress auto-correlation function c(t) becomes incorrect in this limit.