Gaussian overlap model - Revision history

Carl McBride: /* References */ Added a recent publication

2018-01-30T11:23:17Z

References: Added a recent publication

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	*[http://dx.doi.org/10.1063/1.3609277 Atsushi Ikeda and Kunimasa Miyazaki "Thermodynamic and structural properties of the high density Gaussian core model", Journal of Chemical Physics '''135''' 024901 (2011)]		*[http://dx.doi.org/10.1063/1.3609277 Atsushi Ikeda and Kunimasa Miyazaki "Thermodynamic and structural properties of the high density Gaussian core model", Journal of Chemical Physics '''135''' 024901 (2011)]
	*[http://dx.doi.org/10.1063/1.3615949 Atsushi Ikeda and Kunimasa Miyazaki "Slow dynamics of the high density Gaussian core model", Journal of Chemical Physics '''135''' 054901 (2011)]		*[http://dx.doi.org/10.1063/1.3615949 Atsushi Ikeda and Kunimasa Miyazaki "Slow dynamics of the high density Gaussian core model", Journal of Chemical Physics '''135''' 054901 (2011)]
			*[https://doi.org/10.1063/1.5013644 Manoj Kumar Nandi and Sarika Maitra Bhattacharyya "Analysis of the anomalous mean-field like properties of Gaussian core model in terms of entropy", Journal of Chemical Physics '''148''' 034504 (2018)]

	[[Category: Models]]		[[Category: Models]]
	[[Category: liquid crystals]]		[[Category: liquid crystals]]

Carl McBride: Added a recent publication

2017-05-23T10:47:34Z

Added a recent publication

← Older revision		Revision as of 12:47, 23 May 2017
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	The '''Gaussian overlap model''' was developed by Bruce J. Berne and Philip Pechukas <ref>[http://dx.doi.org/10.1063/1.1677837 Bruce J. Berne and Philip Pechukas "Gaussian Model Potentials for Molecular Interactions" Journal of Chemical Physics '''56''' pp. 4213-4216 (1972)]</ref>and is given by Eq. 3 in the aforementioned reference:		The '''Gaussian overlap model''' was developed by Bruce J. Berne and Philip Pechukas <ref>[http://dx.doi.org/10.1063/1.1677837 Bruce J. Berne and Philip Pechukas "Gaussian Model Potentials for Molecular Interactions" Journal of Chemical Physics '''56''' pp. 4213-4216 (1972)]</ref> and is given by Eq. 3 in the aforementioned reference:

	:<math>\Phi_{12}(\mathbf{u}_1,\mathbf{u}_2,\mathbf{r}) = \epsilon(\mathbf{u}_1,\mathbf{u}_2) \exp \left[ \frac{-r}{\sigma (\mathbf{u}_1,\mathbf{u}_2, \hat{\mathbf{r}}) } \right]^n</math>		:<math>\Phi_{12}(\mathbf{u}_1,\mathbf{u}_2,\mathbf{r}) = \epsilon(\mathbf{u}_1,\mathbf{u}_2) \exp \left[ \frac{-r}{\sigma (\mathbf{u}_1,\mathbf{u}_2, \hat{\mathbf{r}}) } \right]^n</math>
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	==Shear viscosity==		==Shear viscosity==
	<ref>[http://dx.doi.org/10.1063/1.3273083 Alauddin Ahmed, Peter Mausbach, and Richard J. Sadus "Strain-rate dependent shear viscosity of the Gaussian core model fluid", Journal of Chemical Physics '''131''' 224511 (2009)]</ref>		<ref>[http://dx.doi.org/10.1063/1.3273083 Alauddin Ahmed, Peter Mausbach, and Richard J. Sadus "Strain-rate dependent shear viscosity of the Gaussian core model fluid", Journal of Chemical Physics '''131''' 224511 (2009)]</ref>
			==Isotropic-nematic phase transition==
			<ref>[http://dx.doi.org/10.1063/1.4981887 G. Rickayzen and D. M. Heyes "Isotropic-nematic phase transition of uniaxial variable softness prolate and oblate ellipsoids", Journal of Chemical Physics 146, 164505 (2017)]</ref>.
	==References==		==References==
	<references/>		<references/>
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	*[http://dx.doi.org/10.1063/1.3615949 Atsushi Ikeda and Kunimasa Miyazaki "Slow dynamics of the high density Gaussian core model", Journal of Chemical Physics '''135''' 054901 (2011)]		*[http://dx.doi.org/10.1063/1.3615949 Atsushi Ikeda and Kunimasa Miyazaki "Slow dynamics of the high density Gaussian core model", Journal of Chemical Physics '''135''' 054901 (2011)]

	[[Category: Models]]		[[Category: Models]]
			[[Category: liquid crystals]]

Carl McBride: Added an internal link

2014-06-10T14:41:56Z

Added an internal link

← Older revision		Revision as of 16:41, 10 June 2014
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	:<math>\Phi_{12}(\mathbf{u}_1,\mathbf{u}_2,\mathbf{r}) = \epsilon(\mathbf{u}_1,\mathbf{u}_2) \exp \left[ \frac{-r}{\sigma (\mathbf{u}_1,\mathbf{u}_2, \hat{\mathbf{r}}) } \right]^n</math>		:<math>\Phi_{12}(\mathbf{u}_1,\mathbf{u}_2,\mathbf{r}) = \epsilon(\mathbf{u}_1,\mathbf{u}_2) \exp \left[ \frac{-r}{\sigma (\mathbf{u}_1,\mathbf{u}_2, \hat{\mathbf{r}}) } \right]^n</math>

	where <math>n=2</math>, <math>\Phi_{12}(r)</math> is the [[intermolecular pair potential]], <math> \epsilon(\mathbf{u}_1,\mathbf{u}_2) </math> and <math>\sigma (\mathbf{u}_1,\mathbf{u}_2, \hat{\mathbf{r}})</math> are angle dependent strength and range parameters, and <math>\hat{\mathbf{r}}</math> is a unit vector. Not long after the introduction of the Gaussian overlap model Stillinger <ref>[http://dx.doi.org/10.1063/1.432891 Frank H. Stillinger "Phase transitions in the Gaussian core system", Journal of Chemical Physics '''65''' pp. 3968-3974 (1976)]</ref> proposed a stripped-down version of the model, known as the '''Gaussian core model'''. Note that as <math>n \rightarrow \infty</math>		where <math>n=2</math>, <math>\Phi_{12}(r)</math> is the [[intermolecular pair potential]], <math> \epsilon(\mathbf{u}_1,\mathbf{u}_2) </math> and <math>\sigma (\mathbf{u}_1,\mathbf{u}_2, \hat{\mathbf{r}})</math> are angle dependent strength and range parameters, and <math>\hat{\mathbf{r}}</math> is a unit vector. Not long after the introduction of the Gaussian overlap model Stillinger <ref>[http://dx.doi.org/10.1063/1.432891 Frank H. Stillinger "Phase transitions in the Gaussian core system", Journal of Chemical Physics '''65''' pp. 3968-3974 (1976)]</ref> proposed a stripped-down version of the model, known as the '''Gaussian core model'''. For <math>n=4</math> a [[Soft cluster crystal phase]] has been observed. For Note that as <math>n \rightarrow \infty</math>
	this potential becomes the [[penetrable sphere model]].		this potential becomes the [[penetrable sphere model]].
	==Equation of state==		==Equation of state==

Carl McBride: Subsumed two stup pages until more content is available

2012-01-23T14:14:51Z

Subsumed two stup pages until more content is available

← Older revision		Revision as of 16:14, 23 January 2012
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	this potential becomes the [[penetrable sphere model]].		this potential becomes the [[penetrable sphere model]].
	==Equation of state==		==Equation of state==
	:~~''Main article: [[Equations~~ of state for ~~the~~ Gaussian overlap ~~model]]~~''		<ref>[http://dx.doi.org/10.1063/1.1531611 Enrique de Miguel and Elvira Martín del Río "Equation of state for hard Gaussian overlap fluids", Journal of Chemical Physics '''118''' pp. 1852-1858 (2003)]</ref>
	==Virial coefficients==		==Virial coefficients==
	:~~''Main article: [[~~Gaussian overlap model~~: virial coefficients]]~~''		<ref>[http://dx.doi.org/10.1142/S0129183199000279 Ssu-Li Huang and Venkat R. Bhethanabotla "Virial coefficients for the hard Gaussian overlap model", International Journal of Modern Physics C '''10''' pp. 361-374 (1999)]</ref>
	==Phase diagram==		==Phase diagram==
	The phase diagram of the Gaussian-core model has been calculated by Prestipino et al.<ref>[http://dx.doi.org/10.1103/PhysRevE.71.050102 Santi Prestipino, Franz Saija, and Paolo V. Giaquinta "Phase diagram of the Gaussian-core model", Physical Review E '''71''' 050102 (2005)]</ref> while the solid-liquid phase equilibria has been calculated by Mausbach et al <ref>[http://dx.doi.org/10.1063/1.3256004 Peter Mausbach, Alauddin Ahmed, and Richard J. Sadus "Solid-liquid phase equilibria of the Gaussian core model fluid", Journal of Chemical Physics '''131''' 184507 (2009)]</ref> using the [[GWTS algorithm]].		The phase diagram of the Gaussian-core model has been calculated by Prestipino et al.<ref>[http://dx.doi.org/10.1103/PhysRevE.71.050102 Santi Prestipino, Franz Saija, and Paolo V. Giaquinta "Phase diagram of the Gaussian-core model", Physical Review E '''71''' 050102 (2005)]</ref> while the solid-liquid phase equilibria has been calculated by Mausbach et al <ref>[http://dx.doi.org/10.1063/1.3256004 Peter Mausbach, Alauddin Ahmed, and Richard J. Sadus "Solid-liquid phase equilibria of the Gaussian core model fluid", Journal of Chemical Physics '''131''' 184507 (2009)]</ref> using the [[GWTS algorithm]].

Carl McBride: Added a recent publication

2011-08-02T09:10:21Z

Added a recent publication

← Older revision		Revision as of 11:10, 2 August 2011
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	*[http://dx.doi.org/10.1063/1.3559678 Peter Mausbach and Richard J. Sadus "Thermodynamic properties in the molecular dynamics ensemble applied to the Gaussian core model fluid", Journal of Chemical Physics '''134''' 114515 (2011)]		*[http://dx.doi.org/10.1063/1.3559678 Peter Mausbach and Richard J. Sadus "Thermodynamic properties in the molecular dynamics ensemble applied to the Gaussian core model fluid", Journal of Chemical Physics '''134''' 114515 (2011)]
	*[http://dx.doi.org/10.1063/1.3609277 Atsushi Ikeda and Kunimasa Miyazaki "Thermodynamic and structural properties of the high density Gaussian core model", Journal of Chemical Physics '''135''' 024901 (2011)]		*[http://dx.doi.org/10.1063/1.3609277 Atsushi Ikeda and Kunimasa Miyazaki "Thermodynamic and structural properties of the high density Gaussian core model", Journal of Chemical Physics '''135''' 024901 (2011)]
			*[http://dx.doi.org/10.1063/1.3615949 Atsushi Ikeda and Kunimasa Miyazaki "Slow dynamics of the high density Gaussian core model", Journal of Chemical Physics '''135''' 054901 (2011)]

	[[Category: Models]]		[[Category: Models]]

Carl McBride: Added a recent publication

2011-07-13T08:26:32Z

Added a recent publication

← Older revision		Revision as of 10:26, 13 July 2011
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	*[http://dx.doi.org/10.1063/1.3429354 Lindsey Ann Shall and S. A. Egorov "Structural and dynamical anomalies of a Gaussian core fluid: A mode-coupling theory study", Journal of Chemical Physics '''132''' 184504 (2010)]		*[http://dx.doi.org/10.1063/1.3429354 Lindsey Ann Shall and S. A. Egorov "Structural and dynamical anomalies of a Gaussian core fluid: A mode-coupling theory study", Journal of Chemical Physics '''132''' 184504 (2010)]
	*[http://dx.doi.org/10.1063/1.3559678 Peter Mausbach and Richard J. Sadus "Thermodynamic properties in the molecular dynamics ensemble applied to the Gaussian core model fluid", Journal of Chemical Physics '''134''' 114515 (2011)]		*[http://dx.doi.org/10.1063/1.3559678 Peter Mausbach and Richard J. Sadus "Thermodynamic properties in the molecular dynamics ensemble applied to the Gaussian core model fluid", Journal of Chemical Physics '''134''' 114515 (2011)]
			*[http://dx.doi.org/10.1063/1.3609277 Atsushi Ikeda and Kunimasa Miyazaki "Thermodynamic and structural properties of the high density Gaussian core model", Journal of Chemical Physics '''135''' 024901 (2011)]

	[[Category: Models]]		[[Category: Models]]

Carl McBride: /* References */ Added a recent publication

2011-03-21T12:00:15Z

References: Added a recent publication

← Older revision		Revision as of 14:00, 21 March 2011
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	*[http://dx.doi.org/10.1080/00268978900101841 Tomas Boublik "The gaussian overlap model again", Molecular Physics '''67''' pp. 1327-1336 (1989)]		*[http://dx.doi.org/10.1080/00268978900101841 Tomas Boublik "The gaussian overlap model again", Molecular Physics '''67''' pp. 1327-1336 (1989)]
	*[http://dx.doi.org/10.1063/1.3429354 Lindsey Ann Shall and S. A. Egorov "Structural and dynamical anomalies of a Gaussian core fluid: A mode-coupling theory study", Journal of Chemical Physics '''132''' 184504 (2010)]		*[http://dx.doi.org/10.1063/1.3429354 Lindsey Ann Shall and S. A. Egorov "Structural and dynamical anomalies of a Gaussian core fluid: A mode-coupling theory study", Journal of Chemical Physics '''132''' 184504 (2010)]
			*[http://dx.doi.org/10.1063/1.3559678 Peter Mausbach and Richard J. Sadus "Thermodynamic properties in the molecular dynamics ensemble applied to the Gaussian core model fluid", Journal of Chemical Physics '''134''' 114515 (2011)]

	[[Category: Models]]		[[Category: Models]]

Carl McBride: /* References */ Added a recent publication

2010-05-12T10:22:23Z

References: Added a recent publication

← Older revision		Revision as of 12:22, 12 May 2010
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	*[http://dx.doi.org/10.1021/j100238a030 P. A. Monson and K. E. Gubbins "Equilibrium properties of the Gaussian overlap fluid. Monte Carlo simulation and thermodynamic perturbation theory" Journal of Physical Chemistry '''87''' pp. 2852-2858 (1983)]		*[http://dx.doi.org/10.1021/j100238a030 P. A. Monson and K. E. Gubbins "Equilibrium properties of the Gaussian overlap fluid. Monte Carlo simulation and thermodynamic perturbation theory" Journal of Physical Chemistry '''87''' pp. 2852-2858 (1983)]
	*[http://dx.doi.org/10.1080/00268978900101841 Tomas Boublik "The gaussian overlap model again", Molecular Physics '''67''' pp. 1327-1336 (1989)]		*[http://dx.doi.org/10.1080/00268978900101841 Tomas Boublik "The gaussian overlap model again", Molecular Physics '''67''' pp. 1327-1336 (1989)]
			*[http://dx.doi.org/10.1063/1.3429354 Lindsey Ann Shall and S. A. Egorov "Structural and dynamical anomalies of a Gaussian core fluid: A mode-coupling theory study", Journal of Chemical Physics '''132''' 184504 (2010)]

	[[Category: Models]]		[[Category: Models]]

Carl McBride: Added a new reference

2009-12-11T10:55:32Z

Added a new reference

← Older revision		Revision as of 12:55, 11 December 2009
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	:''Main article: [[Gaussian overlap model: virial coefficients]]''		:''Main article: [[Gaussian overlap model: virial coefficients]]''
	==Phase diagram==		==Phase diagram==
	The phase diagram of the Gaussian-core model has been calculated by Prestipino et al.<ref>[http://dx.doi.org/10.1103/PhysRevE.71.050102 Santi Prestipino, Franz Saija, and Paolo V. Giaquinta "Phase diagram of the Gaussian-core model", Physical Review E '''71''' 050102 (2005)]</ref> while the solid-liquid phase equilibria has been calculated by Mausbach et al <ref>[http://dx.doi.org/10.1063/1.3256004 Peter Mausbach, Alauddin Ahmed, and Richard J. Sadus "Solid-liquid phase equilibria of the Gaussian core model fluid", Journal of Chemical Physics 131, 184507 (2009)]</ref> using the [[GWTS algorithm]].		The phase diagram of the Gaussian-core model has been calculated by Prestipino et al.<ref>[http://dx.doi.org/10.1103/PhysRevE.71.050102 Santi Prestipino, Franz Saija, and Paolo V. Giaquinta "Phase diagram of the Gaussian-core model", Physical Review E '''71''' 050102 (2005)]</ref> while the solid-liquid phase equilibria has been calculated by Mausbach et al <ref>[http://dx.doi.org/10.1063/1.3256004 Peter Mausbach, Alauddin Ahmed, and Richard J. Sadus "Solid-liquid phase equilibria of the Gaussian core model fluid", Journal of Chemical Physics '''131''' 184507 (2009)]</ref> using the [[GWTS algorithm]].
			==Shear viscosity==
			<ref>[http://dx.doi.org/10.1063/1.3273083 Alauddin Ahmed, Peter Mausbach, and Richard J. Sadus "Strain-rate dependent shear viscosity of the Gaussian core model fluid", Journal of Chemical Physics '''131''' 224511 (2009)]</ref>
	==References==		==References==
	<references/>		<references/>

Nice and Tidy: /* Phase diagram */ Added a reference.

2009-11-16T11:28:08Z

Phase diagram: Added a reference.

← Older revision		Revision as of 13:28, 16 November 2009
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	:''Main article: [[Gaussian overlap model: virial coefficients]]''		:''Main article: [[Gaussian overlap model: virial coefficients]]''
	==Phase diagram==		==Phase diagram==
	The phase diagram of the Gaussian-core model has been calculated by Prestipino~~, Saija and Giaquinta~~ <ref>[http://dx.doi.org/10.1103/PhysRevE.71.050102 Santi Prestipino, Franz Saija, and Paolo V. Giaquinta "Phase diagram of the Gaussian-core model", Physical Review E '''71''' 050102 (2005)]</ref>.		The phase diagram of the Gaussian-core model has been calculated by Prestipino et al.<ref>[http://dx.doi.org/10.1103/PhysRevE.71.050102 Santi Prestipino, Franz Saija, and Paolo V. Giaquinta "Phase diagram of the Gaussian-core model", Physical Review E '''71''' 050102 (2005)]</ref> while the solid-liquid phase equilibria has been calculated by Mausbach et al <ref>[http://dx.doi.org/10.1063/1.3256004 Peter Mausbach, Alauddin Ahmed, and Richard J. Sadus "Solid-liquid phase equilibria of the Gaussian core model fluid", Journal of Chemical Physics 131, 184507 (2009)]</ref> using the [[GWTS algorithm]].

	==References==		==References==
	<references/>		<references/>