Density functional theory study of the interfacial properties of Ni/Ni3Si eutectic alloy

2014 ◽  
Vol 303 ◽  
pp. 205-209 ◽  
Author(s):  
Yuhong Zhao ◽  
Zhiqin Wen ◽  
Hua Hou ◽  
Wei Guo ◽  
Peide Han
Keyword(s):  
Density Functional Theory ◽  
Eutectic Alloy ◽  
Density Functional ◽  
Interfacial Properties ◽  
Density Functional Theory Study ◽  
Functional Theory

Bulk phase behavior and interfacial properties of binary mixtures of Lennard-Jones chains and solvent: a Density Functional Theory Study

Soft Matter ◽  
2022 ◽  
Author(s):  
Sergei A Egorov
Keyword(s):  
Phase Diagram ◽  
Density Functional Theory ◽  
Phase Behavior ◽  
Binary Mixtures ◽  
Density Functional ◽  
Interfacial Properties ◽  
Bulk Phase ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Lennard Jones

A Density Functional Theory study is performed to analyze both bulk and interfacial properties of solvent-polymer binary mixtures. The effects of increasing polymer chain length on the bulk phase diagram...

Binuclear ethylenedithiolate iron carbonyls: A density functional theory study

2021 ◽  
Vol 519 ◽  
pp. 120260
Author(s):  
Luana-Flavia Radu ◽  
Amr A.A. Attia ◽  
Radu Silaghi-Dumitrescu ◽  
Alexandru Lupan ◽  
R. Bruce King
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Iron Carbonyls
Sign in / Sign up

Export Citation Format

Share Document