Kai Zhao

8 Questions 32 Answers 0 Followers

Questions related from Kai Zhao

How can I distinguish a stacking fault and twin of BBC in molecular dynamics simulation?

Hi all, I have problem in distinguishing stacking fault and twin boundary of bcc Fe in MD simulations. I use nanoindentation to deform the Fe bulk, and obtain the microstructure by filtering the...

01 January 2016 2,556 3 View

How can I simulate the diffusion of impurities (i.e., H, He,...) in metals by kinetic monte carlo (kMC)?

Hi everyone, I want to simulate the diffusion of impurities (i.e., H, He,...) in metals by kinetic monte carlo (kMC). Can you recommand a kMC code that is suitable for the simulation?

10 October 2015 6,647 3 View

How to define an ellipsoidal region in LAMMPS simulations?

Hi guys, I want to know how to difine an ellipsoidal region in LAMMPS. I know the "region" command can only difine block, sphere, cylindrical, cone,.... However, I am wondering is there some other...

02 February 2015 6,926 7 View

Is there a free software to prepare LAMMPS input file?

I know LAMMPSfe, but it is a little expensive for a student. MedeA and MAPS are more expensive.

11 November 2014 3,824 13 View

How do I make a potential file for LAMMPS simulation if I already know all the parameters of Exponent-6 potential?

For instance, are there some professional softwares to do this?

03 March 2014 7,542 12 View

Is it possible that a bcc metal transforms into a structure including both fcc and hcp under shock loading?

According to molecular dynamics simulation.

03 March 2014 4,567 3 View

Is there a pre-distributed Linux system for scientific calculations?

Like this CAELinux, www.caelinux.com/. Is there an open source LiveDVD Linux distribution with pre-installed open source software, such as ABINIT, psi-k, quantum espresso, lammps, ASE and so on?...

09 September 2013 1,520 9 View

How to calculate thermodynamic properties with CASTEP?

10 October 2012 3,201 11 View