Influence of different configurations of Fe nanoparticles on the melting point: a molecular dynamics simulation

2021 ◽  
Vol 44 (4) ◽  
Author(s):  
Minghui Wu ◽  
Xiaoxun Zhang ◽  
Fang Ma ◽  
Sensen Dong ◽  
Wei Yang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Melting Point ◽  
Dynamics Simulation ◽  
Fe Nanoparticles

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.

Calculation of Material Properties Using Molecular Dynamics Simulation

2007 ◽  
Author(s):  
Y. H. Park ◽  
J. Tang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Melting Point ◽  
Material Properties ◽  
Morse Potential ◽  
Formation Energy ◽  
Dynamics Simulation ◽  
Embedded Atom Method ◽  
Embedded Atom ◽  
Dynamics Method

This paper describes the calculation of material properties of copper (Cu) using the molecular dynamics method. Vacancy formation energy, bulk modulus, surface energy and melting point are calculated using different potentials such as the Morse potential and Embedded Atom Method (EAM). Results obtained from different potentials are discussed and compared with experimental results.

Molecular dynamics simulation for evaluating melting point of wurtzite-type GaN crystal

2004 ◽  
Vol 96 (5) ◽  
pp. 2501-2512 ◽  
Author(s):  
Kenji Harafuji ◽  
Taku Tsuchiya ◽  
Katsuyuki Kawamura
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Melting Point ◽  
Dynamics Simulation ◽  
Gan Crystal

Au–Fe nanoparticles visited by MD simulation: structural and thermodynamic properties affected by chemical composition

2018 ◽  
Vol 42 (12) ◽  
pp. 9666-9675 ◽  
Author(s):  
Hamed Akbarzadeh ◽  
Esmat Mehrjouei ◽  
Amir Nasser Shamkhali ◽  
Mohsen Abbaspour ◽  
Sirous Salemi ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Chemical Composition ◽  
Molecular Dynamics Simulation ◽  
Thermodynamic Properties ◽  
Thermodynamic Stability ◽  
Md Simulation ◽  
Dynamics Simulation ◽  
Core Shell ◽  
Fe Nanoparticles ◽  
Melting Mechanism

In this work, Fe–Au nanoalloys and Fe@Au core–shell nanoclusters are investigated via classical molecular dynamics simulation to determine the effect of their composition on their thermodynamic stability and melting mechanism.

Sintering neck growth mechanism of Fe nanoparticles: A molecular dynamics simulation

2020 ◽  
Vol 218 ◽  
pp. 115583 ◽  
Author(s):  
ZhengJian Liu ◽  
Qiang Cheng ◽  
Yaozu Wang ◽  
Yang Li ◽  
Jianliang Zhang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Growth Mechanism ◽  
Dynamics Simulation ◽  
Neck Growth ◽  
Fe Nanoparticles ◽  
Sintering Neck

Evaluation of melting point of UO2 by molecular dynamics simulation

2009 ◽  
Vol 389 (1) ◽  
pp. 149-154 ◽  
Author(s):  
Tatsumi Arima ◽  
Kazuya Idemitsu ◽  
Yaohiro Inagaki ◽  
Yuichi Tsujita ◽  
Motoyasu Kinoshita ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Melting Point ◽  
Dynamics Simulation
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