Recentely we did a MD simulation work on the nano-void growth in Copper, welcome to my blog for any discussion..
Effects of the initial void volume fraction, the size dependence of dislocation emission from void free surface, and the crystalline direction relative to the loading direction on the void growth are studied. Obtained numerical results show apparent size effects on the incipient yield strength, while the macroscopic Young’s modulus is shown to be insensitive on the sample size for given void volume fraction. Also, the defect pattern and dislocation nucleation and emission are observed in nano-void growth. Pls see the details in the attachment file.
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| Article.pdf | 726.09 KB |
Hi kejie, I am also
Hi kejie,
I am also learning LAMMPS. It will be very helpful
for me to discuss few things with you. How did you visualize the
configerations?
Sandip Haldar
Hi Sandip
Hi Sandip Haldar,
Lammps I think is quite powerful in atomistic modeling. It's an open source software, and you can find its newest version from the URL: http://lammps.sandia.gov/. Besides, the author is very nice, I have got many help from him. I am using ATOMEYE to view atomic configurations, you may download it from http://164.107.79.177/Archive/Graphics/A/. If you have any question on these two softwares, feel free to contact with me.
Kejie
In LAMMPS, some pair
In LAMMPS, some pair potentials such as Tersoff and sw do not allow the calculation of per-atom stres. How to solve the problem? I notice only EAM and Morse potential pair
style support this caculation. For example, if I want to study Si or
SiC, is there is any way to output the per-atom stress using LAMMPS. thx.
Tongwei Han
In reply to In LAMMPS, some pair by Tongwei Han
This quality has not been implemented
Hi,
The per_atom stress or energy calculation has not been implemented in Lammps, for some many-body potentials including SW, Tersoff and MEAM. You may have to post-process this quality. You can find some similar discusses in http://sourceforge.net/mailarchive/forum.php?forum_name=lammps-users
In my thought, you may need to add yourself stress_calculation_code in lammps according to Virial's definition to solve this problem. Of cource you can also wait for the new version.
Kejie Zhao
Fe-Zn system
hi Kejie Zhao,
I am working with LAMMPS. My work deals with giving shear to the Zn layer (has got HCP structure) which is coated over Fe(has BCC structure). In the interface the crystal structure is very complex. I dont get the potential function for the Fe-Zn interactions and how to define the lattice at the interface?
dinesh