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

More Kai Zhao's questions See All

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

09 October 2015 6,576 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...

01 February 2015 6,510 7 View

Is there a free software to prepare LAMMPS input file?

10 November 2014 3,661 13 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.

02 March 2014 4,456 3 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?

02 March 2014 7,449 12 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?...

08 September 2013 1,446 9 View

How to calculate thermodynamic properties with CASTEP?

09 October 2012 2,946 11 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

16 June 2021 0 0 View

fatal error

16 June 2021 0 0 View

fatal error

16 June 2021 0 0 View

What kind of fluid could I use for a pitfall trap that also does not invalidate molecular testing?

Hi, I want to start testing pitfall trap to obtain ants samples, but I need to conduct molecular analysis on those insects. So, what kind of fluid can I use? Ethanol expires too early and I need...

03 March 2021 5,978 5 View

After a reference from Int J Body Compos Res, can any body help?

Hi, I am after the reference below, my library says it cannot obtain a copy either locally or internationally, any help appreciated! Chris Wang ZM, Heshka S, Wielopolski L, Pi-Sunyer FX, Pierson...

03 March 2021 6,193 1 View

Irradiation data for JAPAN?

Hi, Could you help me to get the latest (2019, 2020) solar resource data for a particular site in JAPAN? PV GIS and NSRDB data are not in reach to JAPAN, I'm looking for some other database for...

03 March 2021 961 3 View

Arena simulation - how do i model the following model in ARENA (see description) (new to ARENA)?

Hello, I'm fairly new to ARENA and I have the following problem: I have two queues in which, in each queue, a different order type arrives (both having an arrival rate of exponential 10). Order...

02 March 2021 2,431 3 View

Kai Zhao

Hi Vladimir,

Firstly, warm thanks for your answer. Indeed, these pictures are generated by OVITO. My question in nature is what is the difference of stacking fault and twin in MD snapshots. To the best of my knowledge, I've not found any books or papers that can clearly describe the difference of atomic structure between these two kinds of defect.