LAMMPS molecular dynamics simulation of methane decomposition on nickel thin films at high temperatures

2021 ◽  
pp. 121904
Author(s):  
Kun'ichi Miyazawa ◽  
Yumi Tanaka
Keyword(s):  
Thin Films ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
High Temperatures ◽  
Methane Decomposition ◽  
Dynamics Simulation ◽  
Nickel Thin Films

The Study on Young's Modulus of Multilayered Cu/Ni Multilayered Nano Thin Films by Molecular Dynamics Simulation

2014 ◽  
Vol 513-517 ◽  
pp. 113-116
Author(s):  
Jen Ching Huang ◽  
Fu Jen Cheng ◽  
Chun Song Yang
Keyword(s):  
Thin Film ◽  
Thin Films ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Strain Rate ◽  
Young’S Modulus ◽  
Potential Function ◽  
Dynamics Simulation ◽  
System Temperature ◽  
Simulation Results

The Youngs modulus of multilayered nanothin films is an important property. This paper focused to investigate the Youngs Modulus of Multilayered Ni/Cu Multilayered nanoThin Films under different condition by Molecular Dynamics Simulation. The NVT ensemble and COMPASS potential function were employed in the simulation. The multilayered nanothin film contained the Ni and Cu thin films in sequence. From simulation results, it is found that the Youngs modulus of Cu/Ni multilayered nanothin film is different at different lattice orientations, temperatures and strain rate. After experiments, it can be found that the Youngs modulus of multilayered nanothin film in the plane (100) is highest. As thickness of the thin film and system temperature rises, Youngs modulus of multilayered nanothin film is reduced instead. And, the strain rate increases, the Youngs modulus of Cu/Ni multilayered nanothin film will also increase.

scholarly journals Nanotribology at high temperatures

2012 ◽  
Vol 3 ◽  
pp. 586-588 ◽  
Author(s):  
Saurav Goel ◽  
Alexander Stukowski ◽  
Gaurav Goel ◽  
Xichun Luo ◽  
Robert L Reuben
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Melting Point ◽  
High Temperatures ◽  
Conceptual Understanding ◽  
Experimental Verification ◽  
Elevated Temperatures ◽  
Dynamics Simulation ◽  
Major Constraint ◽  
Simulation Results

Recent molecular dynamics simulation results have increased conceptual understanding of the grazing and the ploughing friction at elevated temperatures, particularly near the substrate’s melting point. In this commentary we address a major constraint concerning its experimental verification.

scholarly journals Structured Ionomer Thin Films at Water Interface: Molecular Dynamics Simulation Insight

Langmuir ◽  
2017 ◽  
Vol 33 (41) ◽  
pp. 11070-11076 ◽  
Author(s):  
Dipak Aryal ◽  
Anupriya Agrawal ◽  
Dvora Perahia ◽  
Gary S. Grest
Keyword(s):  
Thin Films ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Water Interface

Self-assembly of donor–acceptor semiconducting polymers in solution thin films: a molecular dynamics simulation study

2017 ◽  
Vol 5 (37) ◽  
pp. 9602-9610 ◽  
Author(s):  
Makoto Yoneya ◽  
Satoshi Matsuoka ◽  
Jun’ya Tsutsumi ◽  
Tatsuo Hasegawa
Keyword(s):  
Thin Film ◽  
Thin Films ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Self Assembly ◽  
Semiconducting Polymers ◽  
Dynamics Simulation ◽  
Polymer Thin Film ◽  
Donor Acceptor

The direction of π-stacking in a polymer thin film is crucially important in applications of semiconducting polymers.

scholarly journals Molecular dynamics simulation of the nanoindentation process in Cr/CrN and (Cr/CrN)2 thin films

2018 ◽  
Vol 11 (93) ◽  
pp. 4617-4635
Author(s):  
S. Amaya-Roncancio ◽  
D. F. Arias-Mateus ◽  
B. Segura-Giraldo ◽  
J. De la Roche ◽  
E. Restrepo-Parra
Keyword(s):  
Thin Films ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation
Sign in / Sign up

Export Citation Format

Share Document