12 Questions 13 Answers 0 Followers
Questions related from Baig Abdullah Al Muhit
Hello everyone, I have built a system which consists of solid and liquid part in the unit cell using MOLTEMPLATE and LAMMPS. The liquid part has two types of water, (1) 8 water molecules have...
28 November 2018 1,333 3 View
Hello, I want to build a tobermorite crystal structure from this paper:http://onlinelibrary.wiley.com/doi/10.1111/j.1551-2916.2005.00116.x/epdf and from this .CIF file: ...
23 June 2017 2,960 3 View
Hello everyone, I am calculating radial distribution function of graphene by compute rdf command in LAMMPS. But I am getting the first peak around 4 angstrom instead of 1.42 angstrom. However,...
14 June 2017 8,903 4 View
Hello everyone, I did MD simulation of a bilayer graphene in LAMMPS. The stress-strain behavior of BLG didn't seem to deviate from the single sheet. The fracture stress of single sheet graphene...
26 October 2016 1,306 2 View
Hello everyone, I have simulated 252 atoms of graphene and functinonalized graphene with -OH groups. I deformed the simulation box in zigzag direction of graphene with fix deform command. Then I...
28 June 2016 7,990 5 View
Hello everyone, Can anyone guide me to the paper that describes CVFF forcefield used in LAMMPS? Any help will be immensely appreciated. Thank you, Baig
27 May 2016 10,032 3 View
Hello everyone, I want to calculate elastic constants (C11, C22, C12, and C66) for a single layer graphene sheet by MD simulation in LAMMPS. I am using the following equation: E =...
30 March 2016 7,475 3 View
Hello everyone, I have built a single layer graphene sheet in Materials studio and converted in LAMMPS file. My goal is to test uniaxial tensile strength of graphene. At first I used fix deform...
25 March 2016 4,172 8 View
I have the latest version of avogadro but it can't do all the things that are shown in the youtube videos, for example, under >extension>surface type, I have only vanderwaals and...
08 January 2016 338 3 View
Hello everyone, I am new to the field of LAMMPS and MD simulation in general. Can anyone suggest a reliable open source software for building geometry other than LAMMPS and Material Studio? My...
08 October 2015 7,489 3 View
can anyone suggest books on the fundamental understanding of bessel functions with worked examples?
20 September 2015 884 6 View
For example, Can I calculate atomic density contour maps with LAMMPS, CHIMERA, etc.? Or, with any other MD softwares?
02 September 2015 6,563 3 View
