Editing Modified Lennard-Jones model
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Latest revision | Your text | ||
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<math>C_3 = -68.069 \epsilon</math> | <math>C_3 = -68.069 \epsilon</math> | ||
<math>C_4 = 0.083312 \epsilon</math> | <math>C_4 = 0.083312 \epsilon</math> | ||
and <math>C_5 = 0.74689\epsilon</math>. | and <math>C_5 = 0.74689\epsilon</math>. THese parametrs are chosen so that the function <math>\Phi_{12}(r)</math>, as well as the first derivative, is continuous both at <math>r = 2.3\sigma</math> and <math>r = 2.5\sigma</math>. | ||
These parameters have recently been recalculated | These parameters have recently been recalculated by Asano and Fuchizaki <ref>[http://dx.doi.org/10.1063/1.4764855 Yuta Asano and Kazuhiro Fuchizaki "Phase diagram of the modified Lennard-Jones system", Journal of Chemical Physics '''137''' 174502 (2012)]</ref>, leading to | ||
<math>C_1 = 0.0163169237\epsilon</math>, | <math>C_1 = 0.0163169237\epsilon</math>, | ||
<math>C_2 = 3136.5686 \epsilon</math> | <math>C_2 = 3136.5686 \epsilon</math> | ||
<math>C_3 = | <math>C_3 = 68.069 \epsilon</math> | ||
<math>C_4 = | <math>C_4 = −0.0833111261\epsilon</math> | ||
and <math>C_5 = 0.746882273 \epsilon</math>. | and <math>C_5 = 0.746882273 \epsilon</math>. | ||
==References== | |||
==References== | |||
<references/> | <references/> | ||
[[category: models]] | [[category: models]] |