Gay-Berne model - Revision history

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

2017-05-19T14:33:54Z

References: Added a recent publication

← Older revision		Revision as of 16:33, 19 May 2017
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	*[http://dx.doi.org/10.1103/PhysRevE.54.559 Douglas J. Cleaver, Christopher M. Care, Michael P. Allen, and Maureen P. Neal "Extension and generalization of the Gay-Berne potential" Physical Review E '''54''' pp. 559-567 (1996)]		*[http://dx.doi.org/10.1103/PhysRevE.54.559 Douglas J. Cleaver, Christopher M. Care, Michael P. Allen, and Maureen P. Neal "Extension and generalization of the Gay-Berne potential" Physical Review E '''54''' pp. 559-567 (1996)]
	*[http://dx.doi.org/10.1016/S0009-2614(98)01090-2 Roberto Berardi, Carlo Fava, Claudio Zannoni "A Gay–Berne potential for dissimilar biaxial particles", Chemical Physics Letters '''297''' pp. 8-14 (1998)]		*[http://dx.doi.org/10.1016/S0009-2614(98)01090-2 Roberto Berardi, Carlo Fava, Claudio Zannoni "A Gay–Berne potential for dissimilar biaxial particles", Chemical Physics Letters '''297''' pp. 8-14 (1998)]
			*[http://dx.doi.org/10.1080/00268976.2016.1274437 Luis F. Rull and José Manuel Romero-Enrique "Computer simulation study of the nematic-vapour interface in the Gay-Berne model", Molecular Physics '''115''' pp. 1214-1224 (2017)]


	[[category:liquid crystals]]		[[category:liquid crystals]]
	[[category:models]]		[[category:models]]

Carl McBride: Added a See also section

2016-12-01T12:23:50Z

Added a See also section

← Older revision		Revision as of 14:23, 1 December 2016
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	==Phase diagram==		==Phase diagram==
	:''Main article: [[Phase diagram of the Gay-Berne model]]''		:''Main article: [[Phase diagram of the Gay-Berne model]]''
			==See also==
			*[[Soft-core Gay-Berne model]]
	==References==		==References==
	<references/>		<references/>

Carl McBride: Added a recent publication

2012-06-13T10:42:32Z

Added a recent publication

← Older revision		Revision as of 12:42, 13 June 2012
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	:<math>\frac{\chi \prime }{\alpha \prime^{2}}=1- {\left(\frac{\epsilon_{ee}}{\epsilon_{ss}}\right)} ^{\frac{1}{\mu}}.</math>		:<math>\frac{\chi \prime }{\alpha \prime^{2}}=1- {\left(\frac{\epsilon_{ee}}{\epsilon_{ss}}\right)} ^{\frac{1}{\mu}}.</math>

			A modification of the Gay-Berne potential has recently been proposed that is said to result in a 10-20% improvement in computational speed, as well as accuracy <ref>[http://dx.doi.org/10.1063/1.4729745 Rasmus A. X. Persson "Note: Modification of the Gay-Berne potential for improved accuracy and speed", Journal of Chemical Physics '''136''' 226101 (2012)]</ref>.
	==Phase diagram==		==Phase diagram==
	:''Main article: [[Phase diagram of the Gay-Berne model]]''		:''Main article: [[Phase diagram of the Gay-Berne model]]''

137.187.78.82: spelling change

2011-11-22T16:03:36Z

spelling change

← Older revision		Revision as of 18:03, 22 November 2011
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	The '''Gay-Berne model''' <ref>[http://dx.doi.org/10.1063/1.441483 J. G. Gay and B. J. Berne "Modification of the overlap potential to mimic a linear site–site potential", Journal of Chemical Physics '''74''' pp. 3316-3319 (1981)]</ref> is used extensively in simulations of [[liquid crystals \| liquid crystalline]] systems. The Gay-Berne model		The '''Gay-Berne model''' <ref>[http://dx.doi.org/10.1063/1.441483 J. G. Gay and B. J. Berne "Modification of the overlap potential to mimic a linear site–site potential", Journal of Chemical Physics '''74''' pp. 3316-3319 (1981)]</ref> is used extensively in simulations of [[liquid crystals \| liquid crystalline]] systems. The Gay-Berne model
	is an ~~anistropic~~ form of the [[Lennard-Jones model \| Lennard-Jones 12:6 potential]].		is an anisotropic form of the [[Lennard-Jones model \| Lennard-Jones 12:6 potential]].
	:<math>U_{ij}^{\mathrm LJ/GB} =		:<math>U_{ij}^{\mathrm LJ/GB} =
	4 \epsilon_0^{\mathrm LJ/GB}		4 \epsilon_0^{\mathrm LJ/GB}

Nice and Tidy: Changed references to Cite format.

2009-11-11T11:31:56Z

Changed references to Cite format.

← Older revision		Revision as of 13:31, 11 November 2009
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	The '''Gay-Berne model''' ~~(Ref~~. 1) is used extensively in simulations of [[liquid crystals \| liquid crystalline]] systems. The Gay-Berne model		The '''Gay-Berne model''' <ref>[http://dx.doi.org/10.1063/1.441483 J. G. Gay and B. J. Berne "Modification of the overlap potential to mimic a linear site–site potential", Journal of Chemical Physics '''74''' pp. 3316-3319 (1981)]</ref> is used extensively in simulations of [[liquid crystals \| liquid crystalline]] systems. The Gay-Berne model
	is an anistropic form of the [[Lennard-Jones model \| Lennard-Jones 12:6 potential]].		is an anistropic form of the [[Lennard-Jones model \| Lennard-Jones 12:6 potential]].
	:<math>U_{ij}^{\mathrm LJ/GB} =		:<math>U_{ij}^{\mathrm LJ/GB} =
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	:''Main article: [[Phase diagram of the Gay-Berne model]]''		:''Main article: [[Phase diagram of the Gay-Berne model]]''
	==References==		==References==
	~~#[http:~~/~~/dx.doi.org/10.1063/1.441483 J. G. Gay and B. J. Berne "Modification of the overlap potential to mimic a linear site–site potential", Journal of Chemical Physics~~ '''74''' ~~pp. 3316-3319 (1981)]~~		<references/>
	#[http://dx.doi.org/10.1016/0009-2614(95)00212-M R. Berardi, C. Fava and C. Zannoni "A generalized Gay-Berne intermolecular potential for biaxial particles", Chemical Physics Letters '''236''' pp. 462-468 (1995)]		'''Related reading'''
	#[http://dx.doi.org/10.1103/PhysRevE.54.559 Douglas J. Cleaver, Christopher M. Care, Michael P. Allen, and Maureen P. Neal "Extension and generalization of the Gay-Berne potential" Physical Review E '''54''' pp. 559-567 (1996)]		*[http://dx.doi.org/10.1016/0009-2614(95)00212-M R. Berardi, C. Fava and C. Zannoni "A generalized Gay-Berne intermolecular potential for biaxial particles", Chemical Physics Letters '''236''' pp. 462-468 (1995)]
	#[http://dx.doi.org/10.1016/S0009-2614(98)01090-2 Roberto Berardi, Carlo Fava, Claudio Zannoni "A Gay–Berne potential for dissimilar biaxial particles", Chemical Physics Letters '''297''' pp. 8-14 (1998)]		*[http://dx.doi.org/10.1103/PhysRevE.54.559 Douglas J. Cleaver, Christopher M. Care, Michael P. Allen, and Maureen P. Neal "Extension and generalization of the Gay-Berne potential" Physical Review E '''54''' pp. 559-567 (1996)]
			*[http://dx.doi.org/10.1016/S0009-2614(98)01090-2 Roberto Berardi, Carlo Fava, Claudio Zannoni "A Gay–Berne potential for dissimilar biaxial particles", Chemical Physics Letters '''297''' pp. 8-14 (1998)]
	[[category:liquid crystals]]		[[category:liquid crystals]]
	[[category:models]]		[[category:models]]

Carl McBride: /* References */ Added two more references.

2008-09-26T11:17:37Z

References: Added two more references.

← Older revision		Revision as of 13:17, 26 September 2008
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	==References==		==References==
	#[http://dx.doi.org/10.1063/1.441483 J. G. Gay and B. J. Berne "Modification of the overlap potential to mimic a linear site–site potential", Journal of Chemical Physics '''74''' pp. 3316-3319 (1981)]		#[http://dx.doi.org/10.1063/1.441483 J. G. Gay and B. J. Berne "Modification of the overlap potential to mimic a linear site–site potential", Journal of Chemical Physics '''74''' pp. 3316-3319 (1981)]
	#[http://dx.doi.org/10.1103/PhysRevE.54.559 Douglas J. Cleaver, Christopher M. Care, Michael P. Allen, and Maureen P. Neal "Extension and generalization of the Gay-Berne potential" Physical Review E '''54''' pp. 559 - 567 (1996)]		#[http://dx.doi.org/10.1016/0009-2614(95)00212-M R. Berardi, C. Fava and C. Zannoni "A generalized Gay-Berne intermolecular potential for biaxial particles", Chemical Physics Letters '''236''' pp. 462-468 (1995)]
			#[http://dx.doi.org/10.1103/PhysRevE.54.559 Douglas J. Cleaver, Christopher M. Care, Michael P. Allen, and Maureen P. Neal "Extension and generalization of the Gay-Berne potential" Physical Review E '''54''' pp. 559-567 (1996)]
			#[http://dx.doi.org/10.1016/S0009-2614(98)01090-2 Roberto Berardi, Carlo Fava, Claudio Zannoni "A Gay–Berne potential for dissimilar biaxial particles", Chemical Physics Letters '''297''' pp. 8-14 (1998)]
	[[category:liquid crystals]]		[[category:liquid crystals]]
	[[category:models]]		[[category:models]]

Carl McBride: Slight tidy.

2008-09-26T09:11:32Z

Slight tidy.

← Older revision		Revision as of 11:11, 26 September 2008
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	The '''Gay-Berne''' ~~model~~ is used extensively in simulations of [[liquid crystals \| liquid crystalline]] systems. The Gay-Berne model		The '''Gay-Berne model''' (Ref. 1) is used extensively in simulations of [[liquid crystals \| liquid crystalline]] systems. The Gay-Berne model
	is an anistropic form of the [[Lennard-Jones model \| Lennard-Jones 12:6 potential]].		is an anistropic form of the [[Lennard-Jones model \| Lennard-Jones 12:6 potential]].
	<math>U_{ij}^{\mathrm LJ/GB} =		:<math>U_{ij}^{\mathrm LJ/GB} =
	4 \epsilon_0^{\mathrm LJ/GB}		4 \epsilon_0^{\mathrm LJ/GB}
	[\epsilon^{\mathrm LJ/GB}]^{\mu}		[\epsilon^{\mathrm LJ/GB}]^{\mu}
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	\right],		\right],
	</math>		</math>

	where, in the limit of one of the particles being spherical, gives:		where, in the limit of one of the particles being spherical, gives:

Nice and Tidy at 14:14, 19 February 2008

2008-02-19T14:14:07Z

← Older revision		Revision as of 16:14, 19 February 2008
Line 47:		Line 47:

	:<math>\frac{\chi \prime }{\alpha \prime^{2}}=1- {\left(\frac{\epsilon_{ee}}{\epsilon_{ss}}\right)} ^{\frac{1}{\mu}}.</math>		:<math>\frac{\chi \prime }{\alpha \prime^{2}}=1- {\left(\frac{\epsilon_{ee}}{\epsilon_{ss}}\right)} ^{\frac{1}{\mu}}.</math>
			==Phase diagram==
			:''Main article: [[Phase diagram of the Gay-Berne model]]''
	==References==		==References==
	#[http://dx.doi.org/10.1063/1.441483 J. G. Gay and B. J. Berne "Modification of the overlap potential to mimic a linear site–site potential", Journal of Chemical Physics '''74''' pp. 3316-3319 (1981)]		#[http://dx.doi.org/10.1063/1.441483 J. G. Gay and B. J. Berne "Modification of the overlap potential to mimic a linear site–site potential", Journal of Chemical Physics '''74''' pp. 3316-3319 (1981)]
	#[http://dx.doi.org/10.1103/PhysRevE.54.559 Douglas J. Cleaver, Christopher M. Care, Michael P. Allen, and Maureen P. Neal "Extension and generalization of the Gay-Berne potential" Physical Review E '''54''' pp. 559 - 567 (1996)]		#[http://dx.doi.org/10.1103/PhysRevE.54.559 Douglas J. Cleaver, Christopher M. Care, Michael P. Allen, and Maureen P. Neal "Extension and generalization of the Gay-Berne potential" Physical Review E '''54''' pp. 559 - 567 (1996)]
	~~#[http://dx.doi.org/10.1080/00268970210121605 Enrique De Miguel "Reexamining the phase diagram of the Gay-Berne fluid", Molecular Physics '''100''' pp. 2449-2459 (2002)]~~
	#[http://dx.doi.org/10.1103/PhysRevE.57.6685 Julian T. Brown, Michael P. Allen, Elvira Martín del Río and Enrique de Miguel "Effects of elongation on the phase behavior of the Gay-Berne fluid", Physical Review E '''57''' pp. 6685 - 6699 (1998)]
	[[category:liquid crystals]]		[[category:liquid crystals]]
	[[category:models]]		[[category:models]]

Carl McBride at 10:04, 3 October 2007

2007-10-03T10:04:46Z

@@ Line 1: / Line 1: @@
 The '''Gay-Berne''' model is used extensively in simulations of [[liquid crystals | liquid crystalline]] systems. The Gay-Berne model
 is an anistropic form of the [[Lennard-Jones model | Lennard-Jones 12:6 potential]].
 ==References==
 #[http://dx.doi.org/10.1063/1.441483  J. G. Gay and B. J. Berne "Modification of the overlap potential to mimic a linear site–site potential", Journal of Chemical Physics '''74''' pp. 3316-3319  (1981)]

Nice and Tidy at 10:44, 27 September 2007

2007-09-27T10:44:28Z

← Older revision		Revision as of 12:44, 27 September 2007
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			{{Stub-general}}
	The '''Gay-Berne''' model is used extensively in simulations of [[liquid crystals \| liquid crystalline]] systems. The Gay-Berne model		The '''Gay-Berne''' model is used extensively in simulations of [[liquid crystals \| liquid crystalline]] systems. The Gay-Berne model
	is an anistropic form of the [[Lennard-Jones model \| Lennard-Jones 12:6 potential]].		is an anistropic form of the [[Lennard-Jones model \| Lennard-Jones 12:6 potential]].