STUDY OF SOLID-LIQUID PHASE TRANSITION USING THE MODIFIED WEIGHTED DENSITY APPROXIMATION OF INHOMOGENEOUS HARD SPHERE SYSTEMS

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MORADI MAHMOOD; RAZEGHIZADEH A.R.

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Journal: Iranian Journal of Physics Research Year:2007 | Volume:7 | Issue:3 Page(s): 0-0

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Title

STUDY OF SOLID-LIQUID PHASE TRANSITION USING THE MODIFIED WEIGHTED DENSITY APPROXIMATION OF INHOMOGENEOUS HARD SPHERE SYSTEMS

Author(s)

MORADI MAHMOOD | RAZEGHIZADEH A.R. | Issue Writer Certificate

Keywords

MODIFIED WEIGHTED DENSITY APPROXIMATIONQ3

SOLID-LIQUID PHASE TRANSITIONQ3

HARD SPHERE MOLECULESQ3

PAIR DIRECT CORRELATION FUNCTIONQ3

Abstract

In this article we first introduce the weighted density approximation (WDA) to study the classical inhomogeneous system such as inhomogeneous fluids. Then we introduce the MODIFIED WEIGHTED DENSITY APPROXIMATION (MWDA) to calculate the structure and thermodynamical properties of the FCC hard sphere crystal. The MWDA is a self-consistent method where the free energy is expressed as an unperturbed expression. Usually the required input is the Percus-Yevick (PY) direct correlation function of hard sphere. In addition to this, we use the hard sphere DCF introduced by Roth et al. [ J. Phys. Condense Matter, 14, 12063 (2002). ], here we call it RELK, we also introduce a new expression for the DCF which is a combination of the PY and RELK. This new expression gives the best result for the DCF of hard sphere, as it compared with the Monte Carlo simulation. In our calculation we use all these DCFs to calculate the free energy and freezing parameters of FCC hard sphere crystals. Although we obtained the better results using the PY-RELK DCF but it seems we should improve the MWDA to get better result.

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APA: Copy

MORADI, MAHMOOD, & RAZEGHIZADEH, A.R.. (2007). STUDY OF SOLID-LIQUID PHASE TRANSITION USING THE MODIFIED WEIGHTED DENSITY APPROXIMATION OF INHOMOGENEOUS HARD SPHERE SYSTEMS . IRANIAN JOURNAL OF PHYSICS RESEARCH, 7(3), 0-0. SID. https://sid.ir/paper/384361/en

Vancouver: Copy

MORADI MAHMOOD, RAZEGHIZADEH A.R.. STUDY OF SOLID-LIQUID PHASE TRANSITION USING THE MODIFIED WEIGHTED DENSITY APPROXIMATION OF INHOMOGENEOUS HARD SPHERE SYSTEMS . IRANIAN JOURNAL OF PHYSICS RESEARCH[Internet]. 2007;7(3):0-0. Available from: https://sid.ir/paper/384361/en

IEEE: Copy

MAHMOOD MORADI, and A.R. RAZEGHIZADEH, “STUDY OF SOLID-LIQUID PHASE TRANSITION USING THE MODIFIED WEIGHTED DENSITY APPROXIMATION OF INHOMOGENEOUS HARD SPHERE SYSTEMS ,” IRANIAN JOURNAL OF PHYSICS RESEARCH, vol. 7, no. 3, pp. 0–0, 2007, [Online]. Available: https://sid.ir/paper/384361/en

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