A molecular dynamics study of enhanced dynamics and self‐healing processes in nano‐porous lithium metasilicate systems

2020 ◽  
Vol 11 (3) ◽  
pp. 421-431
Author(s):  
Junko Habasaki
Keyword(s):  
Molecular Dynamics ◽  
Self Healing ◽  
Lithium Metasilicate ◽  
Healing Processes

Self-Healing Processes in Concrete

2009 ◽  
pp. 141-182 ◽  
Author(s):  
Erk Schlangen ◽  
Christopher Joseph
Keyword(s):  
Self Healing ◽  
Healing Processes

Physico-Chemical Characterisation of Protective Coatings and Self Healing Processes

2016 ◽  
pp. 241-298
Author(s):  
Anthony E. Hughes ◽  
Sam Yang ◽  
Berkem Oezkaya ◽  
Ozlem Ozcan ◽  
Guido Grundmeier
Keyword(s):  
Protective Coatings ◽  
Self Healing ◽  
Physico Chemical ◽  
Healing Processes

scholarly journals Swap-Driven Self-Adhesion and Healing of Vitrimers

Coatings ◽  
2019 ◽  
Vol 9 (2) ◽  
pp. 114 ◽  
Author(s):  
Simone Ciarella ◽  
Wouter Ellenbroek
Keyword(s):  
Molecular Dynamics ◽  
Relaxation Time ◽  
Stress Relaxation ◽  
Healing Process ◽  
Star Polymers ◽  
Coarse Grained ◽  
Self Healing ◽  
Central Question ◽  
Trade Off ◽  
Dynamics Simulations

Vitrimers are covalent network materials, comparable in structure to classical thermosets. Unlike normal thermosets, they possess a chemical bond swap mechanism that makes their structure dynamic and suitable for activated welding and even autonomous self-healing. The central question in designing such materials is the trade-off between autonomy and material stability: the swap mechanism facilitates the healing, but it also facilitates creep, which makes the perfectly stable self-healing solid a hard goal to reach. Here, we address this question for the case of self-healing vitrimers made from star polymers. Using coarse-grained molecular dynamics simulations, we studied the adhesion of two vitrimer samples and found that they bond together on timescales that are much shorter than the stress relaxation time. We showed that the swap mechanism allows the star polymers to diffuse through the material through coordinated swap events, but the healing process is much faster and does not depend on this mobility.

scholarly journals Molecular dynamics simulations on self-healing behavior of ionene polymer-based nanostructured hydrogels

Polymer ◽  
2020 ◽  
Vol 211 ◽  
pp. 123072
Author(s):  
Oscar Bertran ◽  
César Saldías ◽  
David Díaz Díaz ◽  
Carlos Alemán
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Self Healing ◽  
Dynamics Simulations ◽  
Ionene Polymer

Molecular dynamics simulation insight into the temperature dependence and healing mechanism of an intrinsic self-healing polyurethane elastomer

2020 ◽  
Vol 22 (31) ◽  
pp. 17620-17631
Author(s):  
Xianling Chen ◽  
Jing Zhu ◽  
Yanlong Luo ◽  
Jun Chen ◽  
Xiaofeng Ma ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Hydrogen Bonds ◽  
Molecular Diffusion ◽  
Healing Process ◽  
The Self ◽  
Dynamics Simulation ◽  
Polyurethane Elastomer ◽  
Self Healing ◽  
Insight Into

The changes in the type and number of hydrogen bonds as well as the microscopic behavior of molecular diffusion in the self-healing process of polyurethane are revealed.

Enhanced self-healing performance of graphene oxide/vitrimer nanocomposites: A molecular dynamics simulations study

Polymer ◽  
2020 ◽  
Vol 206 ◽  
pp. 122862
Author(s):  
Chanwook Park ◽  
Geonwoo Kim ◽  
Jiwon Jung ◽  
Balaji Krishnakumar ◽  
Sravendra Rana ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Graphene Oxide ◽  
Molecular Dynamics Simulations ◽  
Self Healing ◽  
Dynamics Simulations
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