Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Anthony Chazirakis"'
Publikováno v:
MethodsX, Vol 9, Iss , Pp 101931- (2022)
We propose a methodology for calculating the distribution of the mechanical properties in model atomistic polymer-based nanostructured systems. The use of atomistic simulations is key in unravelling the fundamental mechanical behavior of composite ma
Externí odkaz:
https://doaj.org/article/f71a714aa84b47fe8ec82ef1d823a2c8
Publikováno v:
The journal of physical chemistry. B. 126(38)
Polymer nanohybrids with a high fraction of nanofillers have been found to exhibit improved mechanical properties compared to the neat polymer homogeneous systems. Since polymer-based materials are characterized by a broad range of relaxation times,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5e3a97f7b9dce9d16f55e89931cbe43d
https://pubmed.ncbi.nlm.nih.gov/36103667
https://pubmed.ncbi.nlm.nih.gov/36103667
Autor:
Anthony Chazirakis, Ilias-Marios Sarris, Vassia Kirieri, Vagelis Harmandaris, Evangelia Kalligiannaki
Publikováno v:
Procedia Computer Science. 178:345-354
Molecular dynamics simulations often involve excessive degrees of freedom, and therefore the computational cost is prohibitively high. Coarse-graining high-dimensional molecular systems is a well-established procedure to increase the space- and time-
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::45cf84f9acb9fddc185a06798e4e43f0
https://doi.org/10.1016/j.procs.2020.11.036
https://doi.org/10.1016/j.procs.2020.11.036
Publikováno v:
Computer Methods in Applied Mechanics and Engineering
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::67ceff05eaad40758dc81945b3f6c815
Publikováno v:
International Journal of Solids and Structures. 256:111977
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e77ec40c24f2b28787b80e87d81c2255
https://doi.org/10.1016/j.ijsolstr.2022.111977
https://doi.org/10.1016/j.ijsolstr.2022.111977
Autor:
Ludwig Schneider, Marcus Müller, Anthony Chazirakis, Vagelis Harmandaris, Craig Burkhart, Wei Li, Pritam Kumar Jana, Patrycja Polinska, Petra Bačová, Alireza F. Behbahani, Manolis Doxastakis, Anastassia N. Rissanou
Publikováno v:
Macromolecules
A hierarchical (triple scale) simulation methodology is presented for the prediction of the dynamical and rheological properties of high molecular-weight entangled polymer melts. The methodology consists of atomistic, moderately coarse-grained (mCG),
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::eb509166a144bd063282a58346bd338e
http://arxiv.org/abs/2101.08985
http://arxiv.org/abs/2101.08985
