Square shoulder model - Revision history

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

2017-03-23T15:38:20Z

References: Added a recent publication

← Older revision		Revision as of 17:38, 23 March 2017
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	*[http://dx.doi.org/10.1063/1.4801659 S. P. Hlushak, P. A. Hlushak, and A. Trokhymchuk "An improved first-order mean spherical approximation theory for the square-shoulder fluid", Journal of Chemical Physics '''138''' 164107 (2013)]		*[http://dx.doi.org/10.1063/1.4801659 S. P. Hlushak, P. A. Hlushak, and A. Trokhymchuk "An improved first-order mean spherical approximation theory for the square-shoulder fluid", Journal of Chemical Physics '''138''' 164107 (2013)]
	*[http://dx.doi.org/10.1080/00268976.2016.1154199 M. López de Haro, S. B. Yuste and A. Santos "Theoretical approaches to the structural properties of the square-shoulder fluid", Molecular Physics '''114''' pp. 2382-2390 (2016)]		*[http://dx.doi.org/10.1080/00268976.2016.1154199 M. López de Haro, S. B. Yuste and A. Santos "Theoretical approaches to the structural properties of the square-shoulder fluid", Molecular Physics '''114''' pp. 2382-2390 (2016)]
			*[http://dx.doi.org/10.1063/1.4977934 Harini Pattabhiraman and Marjolein Dijkstra "Phase behaviour of quasicrystal forming systems of core-corona particles", Journal of Chemical Physics '''146''' 114901 (2017)]

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

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

2016-09-14T13:55:00Z

References: Added a recent publication

← Older revision		Revision as of 15:55, 14 September 2016
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	<references/>		<references/>
	'''Related reading'''		'''Related reading'''
	*[http://dx.doi.org/10.1088/0953-8984/9/1/001 A R Denton and H Löwen "Isostructural solid - solid transitions in square-shoulder systems", Journal of Physics: Condensed Matter '''9''' pp. L1-L5 (1997)]		*[http://dx.doi.org/10.1088/0953-8984/9/1/001 A. R. Denton and H Löwen "Isostructural solid - solid transitions in square-shoulder systems", Journal of Physics: Condensed Matter '''9''' pp. L1-L5 (1997)]
	*[http://dx.doi.org/10.1088/0953-8984/9/2/006 Peter Bolhuis and Daan Frenkel "Isostructural solid - solid transitions in systems with a repulsive `shoulder' potential", Journal of Physics: Condensed Matter '''9''' pp. 381-387 (1997)]		*[http://dx.doi.org/10.1088/0953-8984/9/2/006 Peter Bolhuis and Daan Frenkel "Isostructural solid - solid transitions in systems with a repulsive `shoulder' potential", Journal of Physics: Condensed Matter '''9''' pp. 381-387 (1997)]
	*[http://dx.doi.org/10.1063/1.3006065 Gernot J. Pauschenwein and Gerhard Kahl "Zero temperature phase diagram of the square-shoulder system", Journal of Chemical Physics '''129''' 174107 (2008)]		*[http://dx.doi.org/10.1063/1.3006065 Gernot J. Pauschenwein and Gerhard Kahl "Zero temperature phase diagram of the square-shoulder system", Journal of Chemical Physics '''129''' 174107 (2008)]
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	*[http://dx.doi.org/10.1080/00268976.2011.562472 S. B. Yuste, A. Santos and M. López de Haro "Structure of the square-shoulder fluid", Molecular Physics '''109''' pp. 987-995 (2011)]		*[http://dx.doi.org/10.1080/00268976.2011.562472 S. B. Yuste, A. Santos and M. López de Haro "Structure of the square-shoulder fluid", Molecular Physics '''109''' pp. 987-995 (2011)]
	*[http://dx.doi.org/10.1063/1.4801659 S. P. Hlushak, P. A. Hlushak, and A. Trokhymchuk "An improved first-order mean spherical approximation theory for the square-shoulder fluid", Journal of Chemical Physics '''138''' 164107 (2013)]		*[http://dx.doi.org/10.1063/1.4801659 S. P. Hlushak, P. A. Hlushak, and A. Trokhymchuk "An improved first-order mean spherical approximation theory for the square-shoulder fluid", Journal of Chemical Physics '''138''' 164107 (2013)]
			*[http://dx.doi.org/10.1080/00268976.2016.1154199 M. López de Haro, S. B. Yuste and A. Santos "Theoretical approaches to the structural properties of the square-shoulder fluid", Molecular Physics '''114''' pp. 2382-2390 (2016)]

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

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

2013-04-25T14:56:32Z

References: Added a recent publication

← Older revision		Revision as of 16:56, 25 April 2013
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	*[http://dx.doi.org/10.1063/1.3265984 Shiqi Zhou and J. R. Solana "Inquiry into thermodynamic behavior of hard sphere plus repulsive barrier of finite height", Journal of Chemical Physics '''131''' 204503 (2009)]		*[http://dx.doi.org/10.1063/1.3265984 Shiqi Zhou and J. R. Solana "Inquiry into thermodynamic behavior of hard sphere plus repulsive barrier of finite height", Journal of Chemical Physics '''131''' 204503 (2009)]
	*[http://dx.doi.org/10.1080/00268976.2011.562472 S. B. Yuste, A. Santos and M. López de Haro "Structure of the square-shoulder fluid", Molecular Physics '''109''' pp. 987-995 (2011)]		*[http://dx.doi.org/10.1080/00268976.2011.562472 S. B. Yuste, A. Santos and M. López de Haro "Structure of the square-shoulder fluid", Molecular Physics '''109''' pp. 987-995 (2011)]
			*[http://dx.doi.org/10.1063/1.4801659 S. P. Hlushak, P. A. Hlushak, and A. Trokhymchuk "An improved first-order mean spherical approximation theory for the square-shoulder fluid", Journal of Chemical Physics '''138''' 164107 (2013)]

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

Carl McBride: Added a recent publication

2013-04-25T14:36:15Z

Added a recent publication

← Older revision		Revision as of 16:36, 25 April 2013
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	The [[direct correlation function]] <ref>[http://dx.doi.org/10.1080/00268970903539592 I. Guillén-Escamilla, E. Schöll-Paschinger and R. Castañeda-Priego "A parametrisation of the direct correlation function for the square-shoulder fluid", Molecular Physics '''108''' pp. 141-150 (2010)]</ref>		The [[direct correlation function]] <ref>[http://dx.doi.org/10.1080/00268970903539592 I. Guillén-Escamilla, E. Schöll-Paschinger and R. Castañeda-Priego "A parametrisation of the direct correlation function for the square-shoulder fluid", Molecular Physics '''108''' pp. 141-150 (2010)]</ref>
	==Equation of State==		==Equation of State==
	<ref>[http://dx.doi.org/10.1088/0953-8984/11/50/308 Andreas Lang, Gerhard Kahl, Christos N Likos, Hartmut Löwen and Martin Watzlawek "Structure and thermodynamics of square-well and square-shoulder fluids", Journal of Physics: Condensed Matter '''11''' pp. 10143-10161 (1999)]</ref>		<ref>[http://dx.doi.org/10.1088/0953-8984/11/50/308 Andreas Lang, Gerhard Kahl, Christos N Likos, Hartmut Löwen and Martin Watzlawek "Structure and thermodynamics of square-well and square-shoulder fluids", Journal of Physics: Condensed Matter '''11''' pp. 10143-10161 (1999)]</ref>.
			==Binary mixture==
			<ref>[http://dx.doi.org/10.1063/1.4795837 Gayatri Das, Nicoletta Gnan, Francesco Sciortino, and Emanuela Zaccarelli "Unveiling the complex glassy dynamics of square shoulder systems: Simulations and theory", Journal of Chemical Physics '''138''' 134501 (2013)]</ref>
	==References==		==References==
	<references/>		<references/>

Carl McBride: Removed duplicated reference

2011-03-18T11:42:03Z

Removed duplicated reference

← Older revision		Revision as of 13:42, 18 March 2011
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	*[http://dx.doi.org/10.1088/0953-8984/9/1/001 A R Denton and H Löwen "Isostructural solid - solid transitions in square-shoulder systems", Journal of Physics: Condensed Matter '''9''' pp. L1-L5 (1997)]		*[http://dx.doi.org/10.1088/0953-8984/9/1/001 A R Denton and H Löwen "Isostructural solid - solid transitions in square-shoulder systems", Journal of Physics: Condensed Matter '''9''' pp. L1-L5 (1997)]
	*[http://dx.doi.org/10.1088/0953-8984/9/2/006 Peter Bolhuis and Daan Frenkel "Isostructural solid - solid transitions in systems with a repulsive `shoulder' potential", Journal of Physics: Condensed Matter '''9''' pp. 381-387 (1997)]		*[http://dx.doi.org/10.1088/0953-8984/9/2/006 Peter Bolhuis and Daan Frenkel "Isostructural solid - solid transitions in systems with a repulsive `shoulder' potential", Journal of Physics: Condensed Matter '''9''' pp. 381-387 (1997)]
	*[http://dx.doi.org/10.1088/0953-8984/11/50/308 Andreas Lang, Gerhard Kahl, Christos N Likos, Hartmut Löwen and Martin Watzlawek "Structure and thermodynamics of square-well and square-shoulder fluids", Journal of Physics: Condensed Matter '''11''' pp. 10143-10161 (1999)]
	*[http://dx.doi.org/10.1063/1.3006065 Gernot J. Pauschenwein and Gerhard Kahl "Zero temperature phase diagram of the square-shoulder system", Journal of Chemical Physics '''129''' 174107 (2008)]		*[http://dx.doi.org/10.1063/1.3006065 Gernot J. Pauschenwein and Gerhard Kahl "Zero temperature phase diagram of the square-shoulder system", Journal of Chemical Physics '''129''' 174107 (2008)]
	*[http://dx.doi.org/10.1063/1.3265984 Shiqi Zhou and J. R. Solana "Inquiry into thermodynamic behavior of hard sphere plus repulsive barrier of finite height", Journal of Chemical Physics '''131''' 204503 (2009)]		*[http://dx.doi.org/10.1063/1.3265984 Shiqi Zhou and J. R. Solana "Inquiry into thermodynamic behavior of hard sphere plus repulsive barrier of finite height", Journal of Chemical Physics '''131''' 204503 (2009)]

Carl McBride: Added a recent publication

2011-03-18T10:32:33Z

Added a recent publication

← Older revision		Revision as of 12:32, 18 March 2011
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	The [[direct correlation function]] <ref>[http://dx.doi.org/10.1080/00268970903539592 I. Guillén-Escamilla, E. Schöll-Paschinger and R. Castañeda-Priego "A parametrisation of the direct correlation function for the square-shoulder fluid", Molecular Physics '''108''' pp. 141-150 (2010)]</ref>		The [[direct correlation function]] <ref>[http://dx.doi.org/10.1080/00268970903539592 I. Guillén-Escamilla, E. Schöll-Paschinger and R. Castañeda-Priego "A parametrisation of the direct correlation function for the square-shoulder fluid", Molecular Physics '''108''' pp. 141-150 (2010)]</ref>
	==Equation of State==		==Equation of State==
	:~~''Main article: [[Equations~~ of ~~state for the~~ square shoulder ~~model]~~]		<ref>[http://dx.doi.org/10.1088/0953-8984/11/50/308 Andreas Lang, Gerhard Kahl, Christos N Likos, Hartmut Löwen and Martin Watzlawek "Structure and thermodynamics of square-well and square-shoulder fluids", Journal of Physics: Condensed Matter '''11''' pp. 10143-10161 (1999)]</ref>
	==References==		==References==
	<references/>		<references/>
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	*[http://dx.doi.org/10.1063/1.3006065 Gernot J. Pauschenwein and Gerhard Kahl "Zero temperature phase diagram of the square-shoulder system", Journal of Chemical Physics '''129''' 174107 (2008)]		*[http://dx.doi.org/10.1063/1.3006065 Gernot J. Pauschenwein and Gerhard Kahl "Zero temperature phase diagram of the square-shoulder system", Journal of Chemical Physics '''129''' 174107 (2008)]
	*[http://dx.doi.org/10.1063/1.3265984 Shiqi Zhou and J. R. Solana "Inquiry into thermodynamic behavior of hard sphere plus repulsive barrier of finite height", Journal of Chemical Physics '''131''' 204503 (2009)]		*[http://dx.doi.org/10.1063/1.3265984 Shiqi Zhou and J. R. Solana "Inquiry into thermodynamic behavior of hard sphere plus repulsive barrier of finite height", Journal of Chemical Physics '''131''' 204503 (2009)]
			*[http://dx.doi.org/10.1080/00268976.2011.562472 S. B. Yuste, A. Santos and M. López de Haro "Structure of the square-shoulder fluid", Molecular Physics '''109''' pp. 987-995 (2011)]


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

Carl McBride: Added a new reference.

2010-02-17T13:00:28Z

Added a new reference.

← Older revision		Revision as of 15:00, 17 February 2010
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	The '''square shoulder model''' is given by		The '''square shoulder model''' is given by <ref>[http://dx.doi.org/10.1063/1.433373 J. M. Kincaid, G. Stell and E. Goldmark "Isostructural phase transitions due to core collapse. II. A three-dimensional model with a solid–solid critical point", Journal of Chemical Physics '''65''' pp. 2172-2179 (1976)]</ref>

	:<math>		:<math>
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	<references/>		<references/>
	'''Related reading'''		'''Related reading'''
	*[http://dx.doi.org/10.1063/1.433373 J. M. Kincaid, G. Stell and E. Goldmark "Isostructural phase transitions due to core collapse. II. A three-dimensional model with a solid–solid critical point", Journal of Chemical Physics '''65''' pp. 2172-2179 (1976)]
	*[http://dx.doi.org/10.1088/0953-8984/9/1/001 A R Denton and H Löwen "Isostructural solid - solid transitions in square-shoulder systems", Journal of Physics: Condensed Matter '''9''' pp. L1-L5 (1997)]		*[http://dx.doi.org/10.1088/0953-8984/9/1/001 A R Denton and H Löwen "Isostructural solid - solid transitions in square-shoulder systems", Journal of Physics: Condensed Matter '''9''' pp. L1-L5 (1997)]
	*[http://dx.doi.org/10.1088/0953-8984/9/2/006 Peter Bolhuis and Daan Frenkel "Isostructural solid - solid transitions in systems with a repulsive `shoulder' potential", Journal of Physics: Condensed Matter '''9''' pp. 381-387 (1997)]		*[http://dx.doi.org/10.1088/0953-8984/9/2/006 Peter Bolhuis and Daan Frenkel "Isostructural solid - solid transitions in systems with a repulsive `shoulder' potential", Journal of Physics: Condensed Matter '''9''' pp. 381-387 (1997)]
			*[http://dx.doi.org/10.1088/0953-8984/11/50/308 Andreas Lang, Gerhard Kahl, Christos N Likos, Hartmut Löwen and Martin Watzlawek "Structure and thermodynamics of square-well and square-shoulder fluids", Journal of Physics: Condensed Matter '''11''' pp. 10143-10161 (1999)]
	*[http://dx.doi.org/10.1063/1.3006065 Gernot J. Pauschenwein and Gerhard Kahl "Zero temperature phase diagram of the square-shoulder system", Journal of Chemical Physics '''129''' 174107 (2008)]		*[http://dx.doi.org/10.1063/1.3006065 Gernot J. Pauschenwein and Gerhard Kahl "Zero temperature phase diagram of the square-shoulder system", Journal of Chemical Physics '''129''' 174107 (2008)]
			*[http://dx.doi.org/10.1063/1.3265984 Shiqi Zhou and J. R. Solana "Inquiry into thermodynamic behavior of hard sphere plus repulsive barrier of finite height", Journal of Chemical Physics '''131''' 204503 (2009)]
	[[Category: Models]]		[[Category: Models]]

Carl McBride: Added a new reference.

2010-02-17T12:52:34Z

Added a new reference.

← Older revision		Revision as of 14:52, 17 February 2010
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	~~{{Stub-general}}~~		The '''square shoulder model''' is given by
	The '''~~Square~~ shoulder model''' is given by

	:<math>		:<math>
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	where <math>\Phi_{12}(r)</math> is the [[intermolecular pair potential]], <math>\epsilon</math> is the height of the shoulder, <math>r</math> is the distance between site 1 and site 2 <math>r := \|\mathbf{r}_1 - \mathbf{r}_2\|</math>, σ is the hard diameter		where <math>\Phi_{12}(r)</math> is the [[intermolecular pair potential]], <math>\epsilon</math> is the height of the shoulder, <math>r</math> is the distance between site 1 and site 2 <math>r := \|\mathbf{r}_1 - \mathbf{r}_2\|</math>, σ is the hard diameter
	and λ > 1.		and λ > 1.
			==Direct correlation function==
			The [[direct correlation function]] <ref>[http://dx.doi.org/10.1080/00268970903539592 I. Guillén-Escamilla, E. Schöll-Paschinger and R. Castañeda-Priego "A parametrisation of the direct correlation function for the square-shoulder fluid", Molecular Physics '''108''' pp. 141-150 (2010)]</ref>
	==Equation of State==		==Equation of State==
	:''Main article: [[Equations of state for the square shoulder model]]		:''Main article: [[Equations of state for the square shoulder model]]
	==References==		==References==
	#[http://dx.doi.org/10.1088/0953-8984/9/1/001 A R Denton and H Löwen "Isostructural solid - solid transitions in square-shoulder systems", Journal of Physics: Condensed Matter '''9''' pp. L1-L5 (1997)]		<references/>
	#[http://dx.doi.org/10.1088/0953-8984/9/2/006 Peter Bolhuis and Daan Frenkel "Isostructural solid - solid transitions in systems with a repulsive `shoulder' potential", Journal of Physics: Condensed Matter '''9''' pp. 381-387 (1997)]		'''Related reading'''
	#[http://dx.doi.org/10.1063/1.3006065 Gernot J. Pauschenwein and Gerhard Kahl "Zero temperature phase diagram of the square-shoulder system", Journal of Chemical Physics '''129''' 174107 (2008)]		*[http://dx.doi.org/10.1063/1.433373 J. M. Kincaid, G. Stell and E. Goldmark "Isostructural phase transitions due to core collapse. II. A three-dimensional model with a solid–solid critical point", Journal of Chemical Physics '''65''' pp. 2172-2179 (1976)]
			*[http://dx.doi.org/10.1088/0953-8984/9/1/001 A R Denton and H Löwen "Isostructural solid - solid transitions in square-shoulder systems", Journal of Physics: Condensed Matter '''9''' pp. L1-L5 (1997)]
			*[http://dx.doi.org/10.1088/0953-8984/9/2/006 Peter Bolhuis and Daan Frenkel "Isostructural solid - solid transitions in systems with a repulsive `shoulder' potential", Journal of Physics: Condensed Matter '''9''' pp. 381-387 (1997)]
			*[http://dx.doi.org/10.1063/1.3006065 Gernot J. Pauschenwein and Gerhard Kahl "Zero temperature phase diagram of the square-shoulder system", Journal of Chemical Physics '''129''' 174107 (2008)]
	[[Category: Models]]		[[Category: Models]]

Carl McBride: Added the model and a new reference.

2008-11-07T11:41:27Z

Added the model and a new reference.

@@ Line 1: / Line 1: @@
 {{Stub-general}}
 ==Equation of State==
 :''Main article: [[Equations of state for the square shoulder model]]
@@ Line 5: / Line 17: @@
 #[http://dx.doi.org/10.1088/0953-8984/9/1/001 A R Denton and H Löwen  "Isostructural solid - solid transitions in square-shoulder systems", Journal of Physics: Condensed Matter '''9''' pp. L1-L5  (1997)]
 #[http://dx.doi.org/10.1088/0953-8984/9/2/006  Peter Bolhuis and Daan Frenkel "Isostructural solid - solid transitions in systems with a repulsive `shoulder' potential", Journal of Physics: Condensed Matter '''9''' pp. 381-387  (1997)]
 [[Category: Models]]

Nice and Tidy at 10:51, 19 February 2008

2008-02-19T10:51:02Z

← Older revision		Revision as of 12:51, 19 February 2008
Line 1:		Line 1:
	{{Stub-general}}		{{Stub-general}}
			==Equation of State==
			:''Main article: [[Equations of state for the square shoulder model]]
	==References==		==References==
	#[http://dx.doi.org/10.1088/0953-8984/9/1/001 A R Denton and H Löwen "Isostructural solid - solid transitions in square-shoulder systems", Journal of Physics: Condensed Matter '''9''' pp. L1-L5 (1997)]		#[http://dx.doi.org/10.1088/0953-8984/9/1/001 A R Denton and H Löwen "Isostructural solid - solid transitions in square-shoulder systems", Journal of Physics: Condensed Matter '''9''' pp. L1-L5 (1997)]
	#[http://dx.doi.org/10.1088/0953-8984/9/2/006 Peter Bolhuis and Daan Frenkel "Isostructural solid - solid transitions in systems with a repulsive `shoulder' potential", Journal of Physics: Condensed Matter '''9''' pp. 381-387 (1997)]		#[http://dx.doi.org/10.1088/0953-8984/9/2/006 Peter Bolhuis and Daan Frenkel "Isostructural solid - solid transitions in systems with a repulsive `shoulder' potential", Journal of Physics: Condensed Matter '''9''' pp. 381-387 (1997)]
	[[Category: Models]]		[[Category: Models]]