Hi,
I am using deformation at 300K
Deepak Behera
Well there is two ways to do that the first one is constrained sumilation in which the perpendicular exis to the tensile axis will not change and this way is artificial, the second one is to do a stress controlled simulation by coupling fix deform with an npt to keep the stress 0 in the directions perpendicular to the tensile axis and this will introduce a change in their length but it is more correct. You can put more details about you system.
If you don't mind can you transfer this email to the mailing list of lammps because it is rejected by the system.
Achraf Atila
Research Associate
Department of Materials Science and Engineering, Institute I
Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU)
Martensstr. 5, 91058 Erlangen, Germany
Office 3.40
[email protected]...
+49 91318527504
Well there is two ways to do that the first one is constrained simulation in which the perpendicular axis to the tensile axis will not change and this way is artificial, the second one is to do a stress-controlled simulation by coupling fix deform with an npt to keep the stress 0 in the directions perpendicular to the tensile axis and this will introduce a change in their length but it is more correct. You can put more details about your system.
If you don’t mind can you transfer this email to the mailing list of lammps because it is rejected by the system.
Achraf Atila
Research Associate
Department of Materials Science and Engineering, Institute I
Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU)
Martensstr. 5, 91058 Erlangen, Germany
Office 3.40
achraf.atila@…4839…
+49 91318527504