Fully Atomistic Multiscale Approach for pKa Prediction

2020 ◽  
Vol 124 (23) ◽  
pp. 4712-4722
Author(s):  
Laura Zanetti-Polzi ◽  
Isabella Daidone ◽  
Andrea Amadei
Keyword(s):  
Multiscale Approach ◽  
Pka Prediction

Seagrass amphipod assemblages in a Mediterranean marine protected area: a multiscale approach

2014 ◽  
Vol 506 ◽  
pp. 175-192 ◽  
Author(s):  
N Sturaro ◽  
G Lepoint ◽  
A Pérez-Perera ◽  
S Vermeulen ◽  
P Panzalis ◽  
...  
Keyword(s):  
Protected Area ◽  
Marine Protected Area ◽  
Multiscale Approach

Failure Analysis of Composite Structures Using Multiscale Technique

2020 ◽  
Vol 995 ◽  
pp. 209-213
Author(s):  
Young W. Kwon
Keyword(s):  
Composite Structures ◽  
Failure Modes ◽  
Cell Model ◽  
Fibrous Composite ◽  
Failure Criteria ◽  
Multiscale Approach ◽  
Interface Failure ◽  
Fiber Failure ◽  
Strain Rate Effects ◽  
Constituent Material

Failure analyses of laminated fibrous composite structures were conducted using the failure criteria based on a multiscale approach. The failure criteria used the stresses and strains in the fiber and matrix materials, respectively, rather than those smeared values at the lamina level. The failure modes and their respective failure criteria consist of fiber failure, matrix failure and their interface failure explicitly. In order to determine the stresses and strains at the constituent material level (i.e. fiber and matrix materials), analytical expressions were derived using a unit-cell model. This model was used for the multiscale approach for both upscaling and downscaling processes. The failure criteria are applicable to both quasi-static loading as well as dynamic loading with strain rate effects.

Size Scale Effect on Generated Electric Potential of Nano Composite Electrical Generators

2012 ◽  
Author(s):  
Kasra Momeni
Keyword(s):  
Elastic Modulus ◽  
Scale Effect ◽  
Electric Potential ◽  
Zno Nanowires ◽  
Surface Model ◽  
Multiscale Approach ◽  
Nano Composite ◽  
Size Scale ◽  
Cylindrical Coordinate ◽  
Axisymmetric Configuration

A multiscale approach is pursued for modeling the size-scale effect on generated electric potential by nanocomposite electrical generators of ZnO nanowires. A core-surface model is used for capturing the effect of size-scale on elastic modulus of ZnO NWs. In this model, a surface with different elastic modulus as of the core of NW was considered. Using linear elasticity and axisymmetric configuration of this problem, closed form governing equations are derived in cylindrical coordinate system. Parametric studied are performed for sample cases to demonstrate application of the developed model. It is shown that ZnO nanowires with larger aspect ratio and smaller diameters have higher performance and can produce higher electric potential.

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