Thermodynamic and dynamical properties and structural evolution of binary Zr80Pt20 metallic liquids and glasses: Molecular dynamics simulations

2018 ◽  
Vol 498 ◽  
pp. 32-41 ◽  
Author(s):  
M. Celtek ◽  
S. Sengul
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Structural Evolution ◽  
Metallic Liquids ◽  
Dynamical Properties ◽  
Dynamics Simulations

scholarly journals Structural evolution and kinetics in Cu-Zr metallic liquids from molecular dynamics simulations

2013 ◽  
Vol 88 (13) ◽  
Author(s):  
Logan Ward ◽  
Dan Miracle ◽  
Wolfgang Windl ◽  
Oleg N. Senkov ◽  
Katharine Flores
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Structural Evolution ◽  
Metallic Liquids ◽  
Dynamics Simulations

New molecular insights into the stability of Ni–Pd hollow nanoparticles

2017 ◽  
Vol 4 (10) ◽  
pp. 1679-1690 ◽  
Author(s):  
Hamed Akbarzadeh ◽  
Esmat Mehrjouei ◽  
Amir Nasser Shamkhali ◽  
Mohsen Abbaspour ◽  
Sirous Salemi ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Thermal Behavior ◽  
Molecular Dynamics Simulations ◽  
Structural Evolution ◽  
Hollow Nanoparticles ◽  
The Stability ◽  
Dynamics Simulations

Molecular dynamics simulations were used to investigate the structural evolution and thermal behavior of Ni–Pd hollow nanoparticles.

Solvation of cholesterol in different solvents: a molecular dynamics simulation study

2020 ◽  
Vol 22 (3) ◽  
pp. 1154-1167 ◽  
Author(s):  
Khair Bux ◽  
Syed Tarique Moin
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Molecular Dynamics Simulations ◽  
Dimethyl Sulfoxide ◽  
Simulation Study ◽  
Dynamics Simulation ◽  
Dynamical Properties ◽  
Dynamics Simulations

Molecular dynamics simulations were applied to an isolated cholesterol immersed in four different solvents of varying polarity, such as water, methanol, dimethyl sulfoxide and benzene, to gain insights into the structural and dynamical properties.

Molecular dynamics study of coil-to-globule transition in a thermo-responsive oligomer bound to various surfaces: hydrophilic surfaces stabilize the coil form

2018 ◽  
Vol 20 (47) ◽  
pp. 29754-29763 ◽  
Author(s):  
Giuseppe Consiglio ◽  
Giuseppe Forte
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Hydrophilic Surfaces ◽  
Responsive Polymer ◽  
Different Temperatures ◽  
Dynamical Properties ◽  
Dynamics Simulations ◽  
Covalently Bound

The structural and dynamical properties of 40-mer of thermo-responsive polymer PNIPAM covalently bound to different surfaces have been studied, at different temperatures, by means of molecular dynamics simulations.

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