Stress/atom formula

Hi Minh,

If you don’t mind a little self-promotion, might I recommend the following articles:

J A Zimmerman, E B Webb III, J J Hoyt, R E Jones, P A Klein and D J Bammann, “Calculation of stress in atomistic simulation”, Modelling Simul. Mater. Sci. Eng. 12 (2004) S319–S332

Edmund B. Webb III, Jonathan A. Zimmerman and Steven C. Seel, “Reconsideration of Continuum Thermomechanical Quantities in Atomic Scale Simulations”, Mathematics and Mechanics of Solids 13: 221–266, 2008

Jonathan A. Zimmerman, Reese E. Jones and Jeremy A. Templeton, “A material frame approach for evaluating continuum variables in atomistic simulations”, Journal of Computational Physics 229 (2010) 2364–2389


Jon Zimmerman

Thanks for your suggestion. I’m trying to understand better the local stresses in the system.
Have a nice day!

Le 21/11/2013 19:52, Zimmerman, Jonathan A a �crit�: