Compromising high strength and ductility in nanoglass–metallic glass nanolaminates

RSC Advances ◽  
2016 ◽  
Vol 6 (16) ◽  
pp. 13548-13553 ◽  
Author(s):  
Sara Adibi ◽  
Paulo S. Branicio ◽  
Roberto Ballarini
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Metallic Glass ◽  
Molecular Dynamics Simulations ◽  
Large Scale ◽  
High Strength ◽  
Dynamics Simulations ◽  
Thick Layers ◽  
Strength And Ductility

Large-scale molecular-dynamics simulations are used to investigate the mechanical properties of 50 nm diameter Cu64Zr36 nanolaminate nanopillars constructed from 5 nm thick layers of metallic glass (MG) or MG and 5 nm grain sized nanoglass.

Mechanical Properties of Hydrogen Functionalized Graphyne - A Molecular Dynamics Investigation

2012 ◽  
Vol 472-475 ◽  
pp. 1813-1817 ◽  
Author(s):  
Yu Lin Yang ◽  
Zhe Yong Fan ◽  
Ning Wei ◽  
Yong Ping Zheng
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Young’S Modulus ◽  
Mechanical Performance ◽  
Young's Modulus ◽  
High Strength ◽  
Strength And Stiffness ◽  
Dynamics Simulations ◽  
Structure Engineering

In this paper the mechanical properties of a series of hydrogen functionalized graphyne are investigated through acting tensile loads on the monolayer networks. Molecular dynamics simulations are performed to calculate the fracture strains and corresponding maximum forces for pristine graphyne along both armchair and zigzag directions. Furthermore, hydrogen functionalized graphynes with different functionalization sites are analyzed to investigate the effect of functionlization on the mechanical performance. Finally, Young's modulus of all the investigated architectures are computed. The obtained results show that monolayer graphyne is mechanically stable with high strength and stiffness, and the mechanical performance can be tuned through structure engineering and functionalization.

scholarly journals Large-scale molecular dynamics simulations of TiN/TiN(001) epitaxial film growth

2016 ◽  
Vol 34 (4) ◽  
pp. 041509 ◽  
Author(s):  
Daniel Edström ◽  
Davide G. Sangiovanni ◽  
Lars Hultman ◽  
Ivan Petrov ◽  
J. E. Greene ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Large Scale ◽  
Epitaxial Film ◽  
Film Growth ◽  
Dynamics Simulations ◽  
Epitaxial Film Growth
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