Binary Lennard-Jones mixtures - Revision history

Urpedersen: /* Wahnström mixture */

2019-01-22T13:51:58Z

Wahnström mixture

← Older revision		Revision as of 15:51, 22 January 2019
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	A mixture of [[Lennard-Jones model \| Lennard-Jones sites]]		A mixture of [[Lennard-Jones model \| Lennard-Jones sites]]
	==Wahnström mixture==		==Wahnström mixture==
	<ref>[http://dx.doi.org/10.1103/PhysRevA.44.3752 Göran Wahnström "Molecular-dynamics study of a supercooled two-component Lennard-Jones system", Physical Review A '''44''' pp. 3752-3764 (1991)]</ref>		The Wahnström mixture<ref>[http://dx.doi.org/10.1103/PhysRevA.44.3752 Göran Wahnström "Molecular-dynamics study of a supercooled two-component Lennard-Jones system", Physical Review A '''44''' pp. 3752-3764 (1991)]</ref> is a equimolar composition of A and B particles with the Lennard-Jones parameters
			<math>\epsilon_{\mathrm{AA}} = \epsilon_{\mathrm{AB}} = \epsilon_{\mathrm{BB}} = \sigma_{\mathrm{AA}} = 1.0</math>,
			<math>\sigma_{\mathrm{AB}} = 1.1</math> and
			<math>\sigma_{\mathrm{BB}} = 1.2</math>.
			At low temperature the liquid accumulate icosahedral order<ref>[http://dx.doi.org/10.1063/1.2773716 Daniele Coslovich, Giorgio Pastore "Understanding fragility in supercooled Lennard-Jones mixtures. I. Locally preferred structures", Journal of Chemical Physics '''127''' 124504 (2007)]</ref>,
			and may partially crystallized into the MgZn2 crystal structure<ref>[http://dx.doi.org/10.1103/PhysRevLett.104.105701 Ulf R. Pedersen, Thomas B. Schrøder, Jeppe C. Dyre, and Peter Harrowell "Geometry of Slow Structural Fluctuations in a Supercooled Binary Alloy", Physical Review Letters '''104''', 105701 (2010)]</ref>.

	==Kob-Andersen mixture==		==Kob-Andersen mixture==
	The Kob-Andersen mixture <ref>[http://dx.doi.org/10.1103/PhysRevLett.73.1376 Walter Kob and Hans C. Andersen "Scaling Behavior in the β-Relaxation Regime of a Supercooled Lennard-Jones Mixture", Physical Review Letters '''73''' pp. 1376–1379 (1994)]</ref>		The Kob-Andersen mixture <ref>[http://dx.doi.org/10.1103/PhysRevLett.73.1376 Walter Kob and Hans C. Andersen "Scaling Behavior in the β-Relaxation Regime of a Supercooled Lennard-Jones Mixture", Physical Review Letters '''73''' pp. 1376–1379 (1994)]</ref>

Urpedersen at 10:12, 22 January 2019

2019-01-22T10:12:35Z

← Older revision		Revision as of 12:12, 22 January 2019
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	The viscous dynamics of this mixture has been studied by Pedersen, Schrøder and Dyre <ref>[http://dx.doi.org/10.1103/PhysRevLett.105.157801 Ulf R. Pedersen, Thomas B. Schrøder and Jeppe C. Dyre "Repulsive Reference Potential Reproducing the Dynamics of a Liquid with Attractions", Physical Review Letters '''105''' 157801 (2010)]</ref>.		The viscous dynamics of this mixture has been studied by Pedersen, Schrøder and Dyre <ref>[http://dx.doi.org/10.1103/PhysRevLett.105.157801 Ulf R. Pedersen, Thomas B. Schrøder and Jeppe C. Dyre "Repulsive Reference Potential Reproducing the Dynamics of a Liquid with Attractions", Physical Review Letters '''105''' 157801 (2010)]</ref>.
	[[Glass transition]] <ref>[http://dx.doi.org/10.1063/1.4927302 Peter Crowther, Francesco Turci and C. Patrick Royall "The nature of geometric frustration in the Kob-Andersen mixture", Journal of Chemical Physics '''143''' 044503 (2015)]</ref>.		[[Glass transition]] <ref>[http://dx.doi.org/10.1063/1.4927302 Peter Crowther, Francesco Turci and C. Patrick Royall "The nature of geometric frustration in the Kob-Andersen mixture", Journal of Chemical Physics '''143''' 044503 (2015)]</ref>.
	[[Phase diagrams \| Phase diagram]] <ref>[https://doi.org/10.1063/1.5047465 Zhongquan Chen, Weikai Qi, and Richard K. Bowles "Glass forming phase diagram and local structure of Kob–Andersen binary Lennard-Jones nanoparticles", Journal of Chemical Physics 149, 094502 (2018)]</ref>.		[[Phase diagrams \| Phase diagram]] <ref>[https://doi.org/10.1063/1.5047465 Zhongquan Chen, Weikai Qi, and Richard K. Bowles "Glass forming phase diagram and local structure of Kob–Andersen binary Lennard-Jones nanoparticles", Journal of Chemical Physics 149, 094502 (2018)]</ref> <ref>[https://doi.org/10.1103/PhysRevLett.120.165501 Ulf R. Pedersen, Thomas B. Schrøder, and Jeppe C. Dyre "Phase Diagram of Kob-Andersen-Type Binary Lennard-Jones Mixtures", Physical Review Letters '''120''' 165501 (2018)]</ref> .

	==Viscosity==		==Viscosity==

Carl McBride: /* Kob-Andersen mixture */ Added a recent publication

2018-09-13T10:25:52Z

Kob-Andersen mixture: Added a recent publication

← Older revision		Revision as of 12:25, 13 September 2018
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	The viscous dynamics of this mixture has been studied by Pedersen, Schrøder and Dyre <ref>[http://dx.doi.org/10.1103/PhysRevLett.105.157801 Ulf R. Pedersen, Thomas B. Schrøder and Jeppe C. Dyre "Repulsive Reference Potential Reproducing the Dynamics of a Liquid with Attractions", Physical Review Letters '''105''' 157801 (2010)]</ref>.		The viscous dynamics of this mixture has been studied by Pedersen, Schrøder and Dyre <ref>[http://dx.doi.org/10.1103/PhysRevLett.105.157801 Ulf R. Pedersen, Thomas B. Schrøder and Jeppe C. Dyre "Repulsive Reference Potential Reproducing the Dynamics of a Liquid with Attractions", Physical Review Letters '''105''' 157801 (2010)]</ref>.
	[[Glass transition]] <ref>[http://dx.doi.org/10.1063/1.4927302 Peter Crowther, Francesco Turci and C. Patrick Royall "The nature of geometric frustration in the Kob-Andersen mixture", Journal of Chemical Physics '''143''' 044503 (2015)]</ref>.		[[Glass transition]] <ref>[http://dx.doi.org/10.1063/1.4927302 Peter Crowther, Francesco Turci and C. Patrick Royall "The nature of geometric frustration in the Kob-Andersen mixture", Journal of Chemical Physics '''143''' 044503 (2015)]</ref>.
			[[Phase diagrams \| Phase diagram]] <ref>[https://doi.org/10.1063/1.5047465 Zhongquan Chen, Weikai Qi, and Richard K. Bowles "Glass forming phase diagram and local structure of Kob–Andersen binary Lennard-Jones nanoparticles", Journal of Chemical Physics 149, 094502 (2018)]</ref>.

	==Viscosity==		==Viscosity==
	[[Viscosity]] <ref>[https://doi.org/10.1063/1.5034779 N. Meyer, J.-F. Wax, and H. Xu "Viscosity of Lennard-Jones mixtures: A systematic study and empirical law", Journal of Chemical Physics '''148''' 234506 (2018)]</ref>		[[Viscosity]] <ref>[https://doi.org/10.1063/1.5034779 N. Meyer, J.-F. Wax, and H. Xu "Viscosity of Lennard-Jones mixtures: A systematic study and empirical law", Journal of Chemical Physics '''148''' 234506 (2018)]</ref>

Carl McBride: Added a recent publication

2018-06-25T09:39:44Z

Added a recent publication

← Older revision		Revision as of 11:39, 25 June 2018
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	The viscous dynamics of this mixture has been studied by Pedersen, Schrøder and Dyre <ref>[http://dx.doi.org/10.1103/PhysRevLett.105.157801 Ulf R. Pedersen, Thomas B. Schrøder and Jeppe C. Dyre "Repulsive Reference Potential Reproducing the Dynamics of a Liquid with Attractions", Physical Review Letters '''105''' 157801 (2010)]</ref>.		The viscous dynamics of this mixture has been studied by Pedersen, Schrøder and Dyre <ref>[http://dx.doi.org/10.1103/PhysRevLett.105.157801 Ulf R. Pedersen, Thomas B. Schrøder and Jeppe C. Dyre "Repulsive Reference Potential Reproducing the Dynamics of a Liquid with Attractions", Physical Review Letters '''105''' 157801 (2010)]</ref>.
	[[Glass transition]] <ref>[http://dx.doi.org/10.1063/1.4927302 Peter Crowther, Francesco Turci and C. Patrick Royall "The nature of geometric frustration in the Kob-Andersen mixture", Journal of Chemical Physics '''143''' 044503 (2015)]</ref>.		[[Glass transition]] <ref>[http://dx.doi.org/10.1063/1.4927302 Peter Crowther, Francesco Turci and C. Patrick Royall "The nature of geometric frustration in the Kob-Andersen mixture", Journal of Chemical Physics '''143''' 044503 (2015)]</ref>.
			==Viscosity==
			[[Viscosity]] <ref>[https://doi.org/10.1063/1.5034779 N. Meyer, J.-F. Wax, and H. Xu "Viscosity of Lennard-Jones mixtures: A systematic study and empirical law", Journal of Chemical Physics '''148''' 234506 (2018)]</ref>
	==References==		==References==
	<references/>		<references/>

Carl McBride: /* References */ Added a section (External links)

2018-03-06T09:55:50Z

References: Added a section (External links)

← Older revision		Revision as of 11:55, 6 March 2018
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	*[http://dx.doi.org/10.1063/1.4930276 F. J. Martínez-Ruiz, A. I. Moreno-Ventas Bravo and F. J. Blas "Liquid-liquid interfacial properties of a symmetrical Lennard-Jones binary mixture", Journal of Chemical Physics '''143''' 104706 (2015)]		*[http://dx.doi.org/10.1063/1.4930276 F. J. Martínez-Ruiz, A. I. Moreno-Ventas Bravo and F. J. Blas "Liquid-liquid interfacial properties of a symmetrical Lennard-Jones binary mixture", Journal of Chemical Physics '''143''' 104706 (2015)]
	*[http://dx.doi.org/10.1063/1.4954938 Marko Mravlak, Thomas Kister, Tobias Kraus and Tanja Schilling "Structure diagram of binary Lennard-Jones clusters", Journal of Chemical Physics '''145''' 024302 (2016)]		*[http://dx.doi.org/10.1063/1.4954938 Marko Mravlak, Thomas Kister, Tobias Kraus and Tanja Schilling "Structure diagram of binary Lennard-Jones clusters", Journal of Chemical Physics '''145''' 024302 (2016)]
			==External links==
	*[http://softmattertheory.lu/clusters.html Minimal energy binary Lennard-Jones clusters]		*[http://softmattertheory.lu/clusters.html Minimal energy binary Lennard-Jones clusters]

	[[category: mixtures]]		[[category: mixtures]]

158.64.77.126 at 16:32, 5 March 2018

2018-03-05T16:32:58Z

← Older revision		Revision as of 18:32, 5 March 2018
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	*[http://dx.doi.org/10.1063/1.4930276 F. J. Martínez-Ruiz, A. I. Moreno-Ventas Bravo and F. J. Blas "Liquid-liquid interfacial properties of a symmetrical Lennard-Jones binary mixture", Journal of Chemical Physics '''143''' 104706 (2015)]		*[http://dx.doi.org/10.1063/1.4930276 F. J. Martínez-Ruiz, A. I. Moreno-Ventas Bravo and F. J. Blas "Liquid-liquid interfacial properties of a symmetrical Lennard-Jones binary mixture", Journal of Chemical Physics '''143''' 104706 (2015)]
	*[http://dx.doi.org/10.1063/1.4954938 Marko Mravlak, Thomas Kister, Tobias Kraus and Tanja Schilling "Structure diagram of binary Lennard-Jones clusters", Journal of Chemical Physics '''145''' 024302 (2016)]		*[http://dx.doi.org/10.1063/1.4954938 Marko Mravlak, Thomas Kister, Tobias Kraus and Tanja Schilling "Structure diagram of binary Lennard-Jones clusters", Journal of Chemical Physics '''145''' 024302 (2016)]
			*[http://softmattertheory.lu/clusters.html Minimal energy binary Lennard-Jones clusters]

	[[category: mixtures]]		[[category: mixtures]]

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

2016-07-15T12:01:16Z

References: Added a recent publication

← Older revision		Revision as of 14:01, 15 July 2016
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	*[http://dx.doi.org/10.1080/00268976.2010.482067 Douglas J. Ashton and Nigel B. Wilding "Grand canonical simulation of phase behaviour in highly size-asymmetrical binary fluids", Molecular Physics '''109''' pp. 999-1007 (2011)]		*[http://dx.doi.org/10.1080/00268976.2010.482067 Douglas J. Ashton and Nigel B. Wilding "Grand canonical simulation of phase behaviour in highly size-asymmetrical binary fluids", Molecular Physics '''109''' pp. 999-1007 (2011)]
	*[http://dx.doi.org/10.1063/1.4930276 F. J. Martínez-Ruiz, A. I. Moreno-Ventas Bravo and F. J. Blas "Liquid-liquid interfacial properties of a symmetrical Lennard-Jones binary mixture", Journal of Chemical Physics '''143''' 104706 (2015)]		*[http://dx.doi.org/10.1063/1.4930276 F. J. Martínez-Ruiz, A. I. Moreno-Ventas Bravo and F. J. Blas "Liquid-liquid interfacial properties of a symmetrical Lennard-Jones binary mixture", Journal of Chemical Physics '''143''' 104706 (2015)]
			*[http://dx.doi.org/10.1063/1.4954938 Marko Mravlak, Thomas Kister, Tobias Kraus and Tanja Schilling "Structure diagram of binary Lennard-Jones clusters", Journal of Chemical Physics '''145''' 024302 (2016)]

	[[category: mixtures]]		[[category: mixtures]]

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

2015-09-22T15:58:09Z

References: Added a recent publication

← Older revision		Revision as of 17:58, 22 September 2015
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	==References==		==References==
	<references/>		<references/>
	'''Related ~~material~~'''		'''Related reading'''
	*[http://dx.doi.org/10.1016/0378-3812(91)87014-Z V. I. Harismiadis, N. K. Koutras, D. P. Tassios, and A. Z. Panagiotopoulos "How good is conformal solutions theory for phase equilibrium predictions? : Gibbs ensemble simulations of binary Lennard-Jones mixtures", Fluid Phase Equilibria '''65''' pp. 1-18 (1991)]		*[http://dx.doi.org/10.1016/0378-3812(91)87014-Z V. I. Harismiadis, N. K. Koutras, D. P. Tassios, and A. Z. Panagiotopoulos "How good is conformal solutions theory for phase equilibrium predictions? : Gibbs ensemble simulations of binary Lennard-Jones mixtures", Fluid Phase Equilibria '''65''' pp. 1-18 (1991)]
	*[http://dx.doi.org/10.1016/0378-3812(94)80007-3 Aikaterini M. Georgoulaki, loannis V. Ntouros, Dimitrios P. Tassios, and Athanassios Z. Panagiotopoulos "Phase equilibria of binary Lennard-Jones mixtures: simulation and van der Waals l-fluid theory", Fluid Phase Equilibria '''100''' pp. 153-170 (1994)]		*[http://dx.doi.org/10.1016/0378-3812(94)80007-3 Aikaterini M. Georgoulaki, loannis V. Ntouros, Dimitrios P. Tassios, and Athanassios Z. Panagiotopoulos "Phase equilibria of binary Lennard-Jones mixtures: simulation and van der Waals l-fluid theory", Fluid Phase Equilibria '''100''' pp. 153-170 (1994)]
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	*[http://dx.doi.org/10.1063/1.3556664 Swetlana Jungblut and Christoph Dellago "Crystallization of a binary Lennard-Jones mixture", Journal of Chemical Physics '''134''' 104501 (2011)]		*[http://dx.doi.org/10.1063/1.3556664 Swetlana Jungblut and Christoph Dellago "Crystallization of a binary Lennard-Jones mixture", Journal of Chemical Physics '''134''' 104501 (2011)]
	*[http://dx.doi.org/10.1080/00268976.2010.482067 Douglas J. Ashton and Nigel B. Wilding "Grand canonical simulation of phase behaviour in highly size-asymmetrical binary fluids", Molecular Physics '''109''' pp. 999-1007 (2011)]		*[http://dx.doi.org/10.1080/00268976.2010.482067 Douglas J. Ashton and Nigel B. Wilding "Grand canonical simulation of phase behaviour in highly size-asymmetrical binary fluids", Molecular Physics '''109''' pp. 999-1007 (2011)]
			*[http://dx.doi.org/10.1063/1.4930276 F. J. Martínez-Ruiz, A. I. Moreno-Ventas Bravo and F. J. Blas "Liquid-liquid interfacial properties of a symmetrical Lennard-Jones binary mixture", Journal of Chemical Physics '''143''' 104706 (2015)]

	[[category: mixtures]]		[[category: mixtures]]

Carl McBride: /* Kob-Andersen mixture */ Added a recent publication

2015-09-21T16:39:30Z

Kob-Andersen mixture: Added a recent publication

← Older revision		Revision as of 18:39, 21 September 2015
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	<ref>[http://dx.doi.org/10.1103/PhysRevE.52.4134 Walter Kob and Hans C. Andersen "Testing mode-coupling theory for a supercooled binary Lennard-Jones mixture. II. Intermediate scattering function and dynamic susceptibility", Physical Review E '''52''' 4134-4153 (1995)]</ref>		<ref>[http://dx.doi.org/10.1103/PhysRevE.52.4134 Walter Kob and Hans C. Andersen "Testing mode-coupling theory for a supercooled binary Lennard-Jones mixture. II. Intermediate scattering function and dynamic susceptibility", Physical Review E '''52''' 4134-4153 (1995)]</ref>
	composed of 80% of atoms of type A, has the following parameters: <math>\epsilon_{\mathrm{AA}} = 1.0</math>, <math>\sigma_{\mathrm{AA}} = 1.0</math>, <math>\epsilon_{\mathrm{AB}} = 1.5</math>, <math>\sigma_{\mathrm{AB}} = 0.8</math>, <math>\epsilon_{\mathrm{BB}} = 0.5</math> and <math>\sigma_{\mathrm{BB}} = 0.88</math>.		composed of 80% of atoms of type A, has the following parameters: <math>\epsilon_{\mathrm{AA}} = 1.0</math>, <math>\sigma_{\mathrm{AA}} = 1.0</math>, <math>\epsilon_{\mathrm{AB}} = 1.5</math>, <math>\sigma_{\mathrm{AB}} = 0.8</math>, <math>\epsilon_{\mathrm{BB}} = 0.5</math> and <math>\sigma_{\mathrm{BB}} = 0.88</math>.
	The viscous dynamics of this mixture has been studied by Pedersen, Schrøder and Dyre <ref>[http://dx.doi.org/10.1103/PhysRevLett.105.157801 Ulf R. Pedersen, Thomas B. Schrøder and Jeppe C. Dyre "Repulsive Reference Potential Reproducing the Dynamics of a Liquid with Attractions", Physical Review Letters '''105''' 157801 (2010)]</ref>.		The viscous dynamics of this mixture has been studied by Pedersen, Schrøder and Dyre <ref>[http://dx.doi.org/10.1103/PhysRevLett.105.157801 Ulf R. Pedersen, Thomas B. Schrøder and Jeppe C. Dyre "Repulsive Reference Potential Reproducing the Dynamics of a Liquid with Attractions", Physical Review Letters '''105''' 157801 (2010)]</ref>.
			[[Glass transition]] <ref>[http://dx.doi.org/10.1063/1.4927302 Peter Crowther, Francesco Turci and C. Patrick Royall "The nature of geometric frustration in the Kob-Andersen mixture", Journal of Chemical Physics '''143''' 044503 (2015)]</ref>.

	==References==		==References==

Carl McBride: /* Kob-Andersen mixture */ Added %

2013-04-10T13:10:00Z

Kob-Andersen mixture: Added %

← Older revision		Revision as of 15:10, 10 April 2013
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	<ref>[http://dx.doi.org/10.1103/PhysRevE.51.4626 Walter Kob and Hans C. Andersen "Testing mode-coupling theory for a supercooled binary Lennard-Jones mixture I: The van Hove correlation function" Physical Review E '''51''' 4626-4641 (1995)]</ref>		<ref>[http://dx.doi.org/10.1103/PhysRevE.51.4626 Walter Kob and Hans C. Andersen "Testing mode-coupling theory for a supercooled binary Lennard-Jones mixture I: The van Hove correlation function" Physical Review E '''51''' 4626-4641 (1995)]</ref>
	<ref>[http://dx.doi.org/10.1103/PhysRevE.52.4134 Walter Kob and Hans C. Andersen "Testing mode-coupling theory for a supercooled binary Lennard-Jones mixture. II. Intermediate scattering function and dynamic susceptibility", Physical Review E '''52''' 4134-4153 (1995)]</ref>		<ref>[http://dx.doi.org/10.1103/PhysRevE.52.4134 Walter Kob and Hans C. Andersen "Testing mode-coupling theory for a supercooled binary Lennard-Jones mixture. II. Intermediate scattering function and dynamic susceptibility", Physical Review E '''52''' 4134-4153 (1995)]</ref>
	has the following parameters: <math>\epsilon_{\mathrm{AA}} = 1.0</math>, <math>\sigma_{\mathrm{AA}} = 1.0</math>, <math>\epsilon_{\mathrm{AB}} = 1.5</math>, <math>\sigma_{\mathrm{AB}} = 0.8</math>, <math>\epsilon_{\mathrm{BB}} = 0.5</math> and <math>\sigma_{\mathrm{BB}} = 0.88</math>.		composed of 80% of atoms of type A, has the following parameters: <math>\epsilon_{\mathrm{AA}} = 1.0</math>, <math>\sigma_{\mathrm{AA}} = 1.0</math>, <math>\epsilon_{\mathrm{AB}} = 1.5</math>, <math>\sigma_{\mathrm{AB}} = 0.8</math>, <math>\epsilon_{\mathrm{BB}} = 0.5</math> and <math>\sigma_{\mathrm{BB}} = 0.88</math>.
	The viscous dynamics of this mixture has been studied by Pedersen, Schrøder and Dyre <ref>[http://dx.doi.org/10.1103/PhysRevLett.105.157801 Ulf R. Pedersen, Thomas B. Schrøder and Jeppe C. Dyre "Repulsive Reference Potential Reproducing the Dynamics of a Liquid with Attractions", Physical Review Letters '''105''' 157801 (2010)]</ref>.		The viscous dynamics of this mixture has been studied by Pedersen, Schrøder and Dyre <ref>[http://dx.doi.org/10.1103/PhysRevLett.105.157801 Ulf R. Pedersen, Thomas B. Schrøder and Jeppe C. Dyre "Repulsive Reference Potential Reproducing the Dynamics of a Liquid with Attractions", Physical Review Letters '''105''' 157801 (2010)]</ref>.