Atomistic modeling of materials - mit
Atomistic modeling of materials - mit
Atomistic modeling of materials - mit
You also want an ePaper? Increase the reach of your titles
YUMPU automatically turns print PDFs into web optimized ePapers that Google loves.
Lennard-Jones: A simple two-parameter formA BV( r) = 12−6r r12V( r) ⎡⎛ σ ⎞ ⎛ σ ⎞ 6 ⎤ ε= ⎢⎣⎝ r ⎠− 2 ⎝ r ⎠ ⎥ ⎦ ε is unit <strong>of</strong> energy scaleσ is unit <strong>of</strong> lengthWhen expressing Temperature,Pressure and Density in renormalizedunits all LJ systems are identicalTemperature: εPr essure:Density:εσ 31σ 3k BGraph removed for copyright reasons.2/1/05 Massachusetts Institute <strong>of</strong> Technology 3.320 <strong>Atomistic</strong> Modeling <strong>of</strong> Materials G. Ceder and N Marzari
Change language