Ali Gooneie

Dr. Ali Gooneie

Laboratory of Advanced Fibers, Empa, Swiss Federal Laboratories for Materials Science and Technology, CH-9014, St. Gallen, Switzerland
orcid

Research Focus & Metrics

Academic Career Length

12Years (2015-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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9 January 2017 in Polymers
Verified
Journal Article
Open access
PDF file
Ali GooneieAli Gooneie
Ali Gooneie
SSStephan Schuschnigg
Stephan Schuschnigg
Clemens HolzerClemens Holzer
Clemens Holzer
Polymeric materials display distinguished characteristics which stem from the interplay of phenomena at various length and time scales. Further development of polymer systems critically relies on a comprehensive understanding of the fundamentals of their hierarchical structure and behaviors. As such, the inherent multiscale nature of polymer systems is only reflected by a multiscale analysis which accounts for all important mechanisms. Since multiscale modelling is a rapidly growing multidisciplinary field, the emerging possibilities and challenges can be of a truly diverse nature. The present review attempts to provide a rather comprehensive overview of the recent developments in the field of multiscale modelling and simulation of polymeric materials. In order to understand the characteristics of the building blocks of multiscale methods, first a brief review of some significant computational methods at individual length and time scales is provided. These methods cover quantum mechanical scale, atomistic domain (Monte Carlo and molecular dynamics), mesoscopic scale (Brownian dynamics, dissipative particle dynamics, and lattice Boltzmann method), and finally macroscopic realm (finite element and volume methods). Afterwards, different prescriptions to envelope these methods in a multiscale strategy are discussed in details. Sequential, concurrent, and adaptive resolution schemes are presented along with the latest updates and ongoing challenges in research. In sequential methods, various systematic coarse-graining and backmapping approaches are addressed. For the concurrent strategy, we aimed to introduce the fundamentals and significant methods including the handshaking concept, energy-based, and force-based coupling approaches. Although such methods are very popular in metals and carbon nanomaterials, their use in polymeric materials is still limited. We have illustrated their applications in polymer science by several examples hoping for raising attention towards the existing possibilities. The relatively new adaptive resolution schemes are then covered including their advantages and shortcomings. Finally, some novel ideas in order to extend the reaches of atomistic techniques are reviewed. We conclude the review by outlining the existing challenges and possibilities for future research.

1 September 2018 in Polymer Degradation and Stability
Verified
Journal Article
Closed access
KSKhalifah A. Salmeia
Khalifah A. Salmeia
Ali GooneieAli Gooneie
Ali Gooneie
PSPietro Simonetti
Pietro Simonetti
RNRashid Nazir
Rashid Nazir
JKJean-Pierre Kaiser
Jean-Pierre Kaiser
Sabyasachi GaanSabyasachi Gaan
Sabyasachi Gaan

1 February 2019 in Polymer Degradation and Stability
Verified
Journal Article
Closed access
Ali GooneieAli Gooneie
Ali Gooneie
PSPietro Simonetti
Pietro Simonetti
KSKhalifah A. Salmeia
Khalifah A. Salmeia
Sabyasachi GaanSabyasachi Gaan
Sabyasachi Gaan
RHRudolf Hufenus
Rudolf Hufenus
MHManfred P. Heuberger
Manfred P. Heuberger

21 June 2018 in Macromolecular Materials and Engineering
Verified
Journal Article
Closed access
PDF file
YYYurong Yan
Yurong Yan
Ali GooneieAli Gooneie
Ali Gooneie
HYHaixian Ye
Haixian Ye
LDLingli Deng
Lingli Deng
ZQZhiming Qiu
Zhiming Qiu
RHRudolf Hufenus
Rudolf Hufenus


25 May 2017 in Journal of Applied Polymer Science
Verified
Journal Article
Closed access
PDF file
JSJanak Sapkota
Janak Sapkota
Ali GooneieAli Gooneie
Ali Gooneie
ASAnuja Shirole
Anuja Shirole
JGJulio Cesar Martinez Garcia
Julio Cesar Martinez Garcia