Soft sphere potential: Difference between revisions

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==Glass transition==
==Glass transition==
<ref>[http://dx.doi.org/10.1063/1.3266845 D. M. Heyes, S. M. Clarke, and A. C. Brańka "Soft-sphere soft glasses", Journal of Chemical Physics '''131''' 204506 (2009)]</ref>
<ref>[http://dx.doi.org/10.1063/1.3266845 D. M. Heyes, S. M. Clarke, and A. C. Brańka "Soft-sphere soft glasses", Journal of Chemical Physics '''131''' 204506 (2009)]</ref><ref>[http://dx.doi.org/10.1063/1.3554378 Junko Habasaki and Akira Ueda "Several routes to the glassy states in the one component soft core system: Revisited by molecular dynamics", Journal of Chemical Physics '''134''' 084505 (2011)]</ref>
 
==Transport coefficients==
==Transport coefficients==
<ref>[http://dx.doi.org/10.1080/00268970802712563 D. M. Heyes and A. C. Branka "Density and pressure dependence of the equation of state and transport coefficients of soft-sphere fluids", Molecular Physics '''107''' pp. 309-319 (2009)]</ref>
<ref>[http://dx.doi.org/10.1080/00268970802712563 D. M. Heyes and A. C. Branka "Density and pressure dependence of the equation of state and transport coefficients of soft-sphere fluids", Molecular Physics '''107''' pp. 309-319 (2009)]</ref>

Revision as of 10:06, 1 March 2011

The soft sphere potential is defined as

where is the intermolecular pair potential between two soft spheres separated by a distance , is the interaction strength and is the diameter of the sphere. Frequently the value of is taken to be 12, thus the model effectively becomes the high temperature limit of the Lennard-Jones model [1]. If one has the hard sphere model. For no thermodynamically stable phases are found.

Equation of state

The soft-sphere equation of state[2] has recently been studied by Tan, Schultz and Kofke[3] and expressed in terms of Padé approximants. For and one has (Eq. 8):



and for one has (Eq. 9):


Virial coefficients

Tan, Schultz and Kofke[3] have calculated the virial coefficients at (Table 1):

n=12 n=9 n=6
3.79106644 4.27563423 5.55199919
3.52761(6) 3.43029(7) 1.44261(4)
2.1149(2) 1.08341(7) -1.68834(9)
0.7695(2) -0.21449(11) 1.8935(5)
0.0908(5) -0.0895(7) -1.700(3)
-0.074(2) 0.071(4) 0.44(2)

Melting point

For

pressure Reference
22.66(1) 1.195(6) 1.152(6) Table 1 [4]
23.24(4) 1.2035(6) 1.1602(7) Table 2 [3]

For

pressure Reference
36.36(10) 1.4406(12) 1.4053(14) Table 3 [3]

For

pressure Reference
100.1(3) 2.320(2) 2.295(2) Table 4 [3]

Glass transition

[5][6]

Transport coefficients

[7]

Radial distribution function

[8]

References

This page contains numerical values and/or equations. If you intend to use ANY of the numbers or equations found in SklogWiki in any way, you MUST take them from the original published article or book, and cite the relevant source accordingly.