Honglin Zhang

6 Questions 4 Answers 0 Followers

Questions related from Honglin Zhang

Whether there's reaserch concerning about the oxides decomposition by calculation?

Hello, everyone! My project focuses on the decomposition of oxides under heating and pressure, and the oxides are mainly transition metal oxides, like Fe3O4, Fe2O3, or more complex oxide MnCr2O4....

06 June 2017 4,739 4 View

Hello, everyone! Have a discussion! Is there someone working on the study of the transition metal oxides/metal interface by ab initio calculation?

Jiang Yong J R Smith

05 May 2017 4,546 2 View

How to analyze the charge density in CHG file generated by first principle molecular dynamics?

Hello, researchers. I'm now studying on the reactions between Al and Fe2O3 by first principle molecular dynamics. I have got the CHG file, then, how to export and display the charge density at...

05 May 2017 8,096 2 View

Hello, everyone! I want to know if there're atom-scaled methods simulating the dynamics of the interactions between the metal oxides and metal base?

for instance, transition metal oxides

05 May 2017 9,441 2 View

How to treat higher temperature setting in ab initio md?

Hello, everyone! We know that increasing temperature in ReaxFF MD is one of the common ways to simulate some certain reactions. But due to the limit of classic potentials, it may not be able to...

01 January 1970 4,293 0 View

Molecular Dynamics about simulating oxygen diffusion along the GBs?

Hello, everyone! Molecular dynamics can be used to simulate elements’ diffusion. I want to see whether MD can simulate oxygen’s diffusion along the grain boundary at high temperature, like 1200K....

01 January 1970 5,012 0 View