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atomistic simulations

Combined atomistic and continuum simulation

Submitted by Henry Tan on
computational mechanics
multiscale mechanics
atomistic simulations
Simulations in Materials

H. Tan, 2003
Chapter 12, Combined atomistic and continuum simulation for fracture and corrosion

Comprehensive Structural Integrity (http://www.sciencedirect.com/science/referenceworks/0080437494)
Volume 8: Interfacial and Nanoscale Failure

Does anyone know a collection of Lennard Jones potential material constants??

Submitted by Mike Ciavarella on
research
molecular dynamics
lennard jones
atomistic simulations

I am trying to find out the theoretical adhesive strength limit of a few materials, or more precisely the ratio adhesive strength limit to elastic modulus. I think this is after all part of the Lennard-Jones constants potential - theoretical adhesive strength limit is simply the maximum of the curve.

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