Melting curve: Difference between revisions
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where <math>A</math> is the [[Helmholtz energy function]], <math>N</math> is the number of cells, <math>E(0)</math> is the potential at the centre of the cell, | where <math>A</math> is the [[Helmholtz energy function]], <math>N</math> is the number of cells, <math>E(0)</math> is the potential at the centre of the cell, | ||
<math>k_B</math> is the [[Boltzmann constant]], <math>T</math> is the [[temperature]], <math>\upsilon</math> is the volume of the cell, and <math>\upsilon_f^*</math> is the dimensionless reduced volume in configuration space. | <math>k_B</math> is the [[Boltzmann constant]], <math>T</math> is the [[temperature]], <math>\upsilon</math> is the volume of the cell, and <math>\upsilon_f^*</math> is the dimensionless reduced volume in configuration space. | ||
===Khrapak melting criteria=== | |||
The Khrapak one-phase melting criteria for two dimensional crystals with soft long-ranged interactions is given by (Eq 3 in <ref>[https://doi.org/10.1063/1.5027201 Sergey Khrapak "Note: Melting criterion for soft particle systems in two dimensions", Journal of Chemical Physics 148, 146101 (2018)]</ref>): | |||
:<math>\frac{C_T}{v_T}\approx 4.3</math> | |||
where <math>C_T</math> is the transverse [[Speed of sound | sound velocity]], and <math>v_T</math> is the [[thermal velocity]]. | |||
==Zero residual multiparticle entropy criterion== | ==Zero residual multiparticle entropy criterion== | ||
<ref>[http://dx.doi.org/10.1016/0378-4371(92)90415-M P.V. Giaquinta and G. Giunta "About entropy and correlations in a fluid of hard spheres", Physica A: Statistical Mechanics and its Applications '''187''' pp. 145-158 (1992)]</ref><ref>[http://dx.doi.org/10.1103/PhysRevA.45.R6966 P. V. Giaquinta, G. Giunta and S. Prestipino Giarritta "Entropy and the freezing of simple liquids", Physical Review A '''45''' R6966–R6968 (1992)]</ref> | <ref>[http://dx.doi.org/10.1016/0378-4371(92)90415-M P.V. Giaquinta and G. Giunta "About entropy and correlations in a fluid of hard spheres", Physica A: Statistical Mechanics and its Applications '''187''' pp. 145-158 (1992)]</ref><ref>[http://dx.doi.org/10.1103/PhysRevA.45.R6966 P. V. Giaquinta, G. Giunta and S. Prestipino Giarritta "Entropy and the freezing of simple liquids", Physical Review A '''45''' R6966–R6968 (1992)]</ref> | ||
Revision as of 14:51, 17 April 2018
Melting curve
Empirical "one-phase" rules
Lindemann melting law
Hansen-Verlet freezing rule
Raveché-Mountain-Street criteria
Ross melting rule
The Ross melting rule states (Eq. 4 [4]):
- Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle A = \frac{1}{2} NE(0) - Nk_BT \ln \upsilon - Nk_BT \ln \upsilon_f^*}
where Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle A} is the Helmholtz energy function, Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle N} is the number of cells, Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle E(0)} is the potential at the centre of the cell, Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle k_B} is the Boltzmann constant, Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle T} is the temperature, Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \upsilon} is the volume of the cell, and Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \upsilon_f^*} is the dimensionless reduced volume in configuration space.
Khrapak melting criteria
The Khrapak one-phase melting criteria for two dimensional crystals with soft long-ranged interactions is given by (Eq 3 in [5]):
- Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \frac{C_T}{v_T}\approx 4.3}
where Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle C_T} is the transverse sound velocity, and Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle v_T} is the thermal velocity.
Zero residual multiparticle entropy criterion
Shock melting method
References
- ↑ F. A. Lindemann "The calculation of molecular natural frequencies", Physikalische Zeitschrift 11 pp. 609-612 (1910)
- ↑ Jean-Pierre Hansen and Loup Verlet "Phase Transitions of the Lennard-Jones System", Physical Review 184 pp. 151-161 (1969)
- ↑ Harold J. Raveché, Raymond D. Mountain, and William B. Streett "Freezing and melting properties of the Lennard‐Jones system", Journal of Chemical Physics 61 pp. 1970- (1974)
- ↑ Marvin Ross "Generalized Lindemann Melting Law", Physical Review 184 pp. 233-242 (1969)
- ↑ Sergey Khrapak "Note: Melting criterion for soft particle systems in two dimensions", Journal of Chemical Physics 148, 146101 (2018)
- ↑ P.V. Giaquinta and G. Giunta "About entropy and correlations in a fluid of hard spheres", Physica A: Statistical Mechanics and its Applications 187 pp. 145-158 (1992)
- ↑ P. V. Giaquinta, G. Giunta and S. Prestipino Giarritta "Entropy and the freezing of simple liquids", Physical Review A 45 R6966–R6968 (1992)
- ↑ William P. Krekelberg, Vincent K. Shen, Jeffrey R. Errington, and Thomas M. Truskett "Residual multiparticle entropy does not generally change sign near freezing", Journal of Chemical Physics 128 161101 (2008)
- ↑ Zhong-Li Liu, Xiu-Lu Zhang and Ling-Cang Cai "Shock melting method to determine melting curve by molecular dynamics: Cu, Pd, and Al", Journal of Chemical Physics 143 114101 (2015)
- Related reading
- Hartmut Löwen "Melting, freezing and colloidal suspensions", Physics Reports 237 pp. 249-324 (1994)
- Franz Saija, Santi Prestipino, and Paolo V. Giaquinta "Evaluation of phenomenological one-phase criteria for the melting and freezing of softly repulsive particles", Journal of Chemical Physics 124 244504 (2006)
- Sergey A. Khrapak, Manis Chaudhuri, and Gregor E. Morfill "Communication: Universality of the melting curves for a wide range of interaction potentials", Journal of Chemical Physics 134 241101 (2011)