Molecular dynamics and MesoDyn simulations for the miscibility of polyvinyl alcohol/polyvinyl pyrrolidone blends

2017 ◽  
Vol 46 (2) ◽  
pp. 69-76 ◽  
Author(s):  
Hui Wu ◽  
Yong Xin
Keyword(s):  
Molecular Dynamics ◽  
Polyvinyl Alcohol ◽  
Polyvinyl Pyrrolidone

Properties of Polyvinyl Alcohol Oligomers: A Molecular Dynamics Study

2009 ◽  
Vol 18 (9) ◽  
pp. 545-552 ◽  
Author(s):  
Eddie Rossinsky ◽  
Konstantin B. Tarmyshov ◽  
Michael C. Böhm ◽  
Florian Müller-Plathe
Keyword(s):  
Molecular Dynamics ◽  
Polyvinyl Alcohol

scholarly journals Molecular-Dynamics Simulations of the Emergence of Surface Roughness in a Polymer under Compression

Materials ◽  
2021 ◽  
Vol 14 (23) ◽  
pp. 7327
Author(s):  
Robin Vacher ◽  
Astrid S. de Wijn
Keyword(s):  
Molecular Dynamics ◽  
Surface Roughness ◽  
Plastic Deformation ◽  
Polyvinyl Alcohol ◽  
Molecular Dynamics Simulations ◽  
Complex Materials ◽  
Multi Scale ◽  
Dynamics Simulations ◽  
Scale Roughness ◽  
Mechanisms Of Plasticity

Roughness of surfaces is both surprisingly ubiquitous on all length scales and extremely relevant practically. The appearance of multi-scale roughness has been linked to avalanches and plastic deformation in metals. However, other, more-complex materials have mechanisms of plasticity that are significantly different from those of metals. We investigated the emergence of roughness in a polymer under compression. We performed molecular-dynamics simulations of a slab of solid polyvinyl alcohol that was compressed bi-axially, and we characterised the evolution of the surface roughness. We found significantly different behaviour than what was previously observed in similar simulations of metals. We investigated the differences and argue that the visco-elasticity of the material plays a crucial role.

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