Toward a Predictive Hierarchical Multiscale Modeling Approach for Energetic Materials

2019 ◽  
pp. 229-282 ◽  
Author(s):  
Brian C. Barnes ◽  
John K. Brennan ◽  
Edward F. C. Byrd ◽  
Sergei Izvekov ◽  
James P. Larentzos ◽  
...  
Keyword(s):  
Multiscale Modeling ◽  
Energetic Materials ◽  
Modeling Approach ◽  
Hierarchical Multiscale

Efficiency assessment of novel materials based flexible thermoelectric devices by a multiscale modeling approach

2015 ◽  
Vol 108 ◽  
pp. 264-269 ◽  
Author(s):  
Malika Bella ◽  
Sylvain Blayac ◽  
Christian Rivero ◽  
Valérie Serradeil ◽  
Pascal Boulet
Keyword(s):  
Multiscale Modeling ◽  
Thermoelectric Devices ◽  
Novel Materials ◽  
Modeling Approach ◽  
Efficiency Assessment ◽  
Flexible Thermoelectric

Review of Hierarchical Multiscale Modeling to Describe the Mechanical Behavior of Amorphous Polymers

2009 ◽  
Vol 131 (4) ◽  
Author(s):  
J. L. Bouvard ◽  
D. K. Ward ◽  
D. Hossain ◽  
S. Nouranian ◽  
E. B. Marin ◽  
...  
Keyword(s):  
Mechanical Behavior ◽  
Multiscale Modeling ◽  
Coarse Graining ◽  
Amorphous Polymers ◽  
Multiscale Methods ◽  
Structure Property ◽  
Lightweight Materials ◽  
Structure Property Relationships ◽  
Modeling Strategy ◽  
Hierarchical Multiscale

Modern computational methods have proved invaluable for the design and analysis of structural components using lightweight materials. The challenge of optimizing lightweight materials in the design of industrial components relates to incorporating structure-property relationships within the computational strategy to incur robust designs. One effective methodology of incorporating structure-property relationships within a simulation-based design framework is to employ a hierarchical multiscale modeling strategy. This paper reviews techniques of multiscale modeling to predict the mechanical behavior of amorphous polymers. Hierarchical multiscale methods bridge nanoscale mechanisms to the macroscale/continuum by introducing a set of structure-property relationships. This review discusses the current state of the art and challenges for three distinct scales: quantum, atomistic/coarse graining, and continuum mechanics. For each scale, we review the modeling techniques and tools, as well as discuss important recent contributions. To help focus the review, we have mainly considered research devoted to amorphous polymers.

A multiscale modeling approach for the simulation of OxRRAM devices

2017 ◽  
Author(s):  
Andrea Padovani ◽  
Luca Larcher ◽  
Jiyong Woo ◽  
Hyunsang Hwang
Keyword(s):  
Multiscale Modeling ◽  
Modeling Approach

Hierarchical multiscale modeling of Polyvinyl Alcohol/Montmorillonite nanocomposites

Polymer ◽  
2016 ◽  
Vol 99 ◽  
pp. 386-398 ◽  
Author(s):  
W.B. Lawrimore ◽  
B. Paliwal ◽  
M.Q. Chandler ◽  
K.L. Johnson ◽  
M.F. Horstemeyer
Keyword(s):  
Polyvinyl Alcohol ◽  
Multiscale Modeling ◽  
Hierarchical Multiscale ◽  
Montmorillonite Nanocomposites

A multiscale modeling approach to scaffold design and property prediction

2010 ◽  
Vol 3 (8) ◽  
pp. 584-593 ◽  
Author(s):  
K.S. Chan ◽  
W. Liang ◽  
W.L. Francis ◽  
D.P. Nicolella
Keyword(s):  
Multiscale Modeling ◽  
Scaffold Design ◽  
Property Prediction ◽  
Modeling Approach
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