Phase diagram of the Lennard-Jones model - Revision history

Carl McBride: /* Solid phase */ Added full list of authors

2017-07-28T08:59:30Z

Solid phase: Added full list of authors

← Older revision		Revision as of 10:59, 28 July 2017
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	<ref>[http://dx.doi.org/10.1063/1.2953327 Hagai Eshet, Fabien Bruneval, and Michele Parrinello "New Lennard-Jones metastable phase", Journal of Chemical Physics '''129''' 026101 (2008)]</ref>		<ref>[http://dx.doi.org/10.1063/1.2953327 Hagai Eshet, Fabien Bruneval, and Michele Parrinello "New Lennard-Jones metastable phase", Journal of Chemical Physics '''129''' 026101 (2008)]</ref>
	==Solid phase==		==Solid phase==
	The Lennard-Jones potential has been known to form either hexagonal close-packed (hcp) or face-centred-cubic (fcc) structure. <ref>[http://dx.doi.org/10.1063/1.4955061 Hertanto Adidharma and Sugata P. Tan "Accurate Monte Carlo simulations on FCC and HCP Lennard-Jones solids at very low temperatures and high reduced densities up to 1.30", Journal of Chemical Physics '''145''' 014503 (2016)]</ref>		The Lennard-Jones potential has been known to form either [[Building up an hexagonal close packing structure \|hexagonal close-packed]] (hcp) or [[Building up a face centered cubic lattice \|face-centred-cubic]] (fcc) structure. <ref>[http://dx.doi.org/10.1063/1.4955061 Hertanto Adidharma and Sugata P. Tan "Accurate Monte Carlo simulations on FCC and HCP Lennard-Jones solids at very low temperatures and high reduced densities up to 1.30", Journal of Chemical Physics '''145''' 014503 (2016)]</ref>
	Recently it has been shown that the ground state structure strongly depends on pressure, cutoff radius and the potential truncation method; and stacking sequences (polytypes) other than fcc and hcp can be the ground state structure too, e.g. dhcp, 9R...etc.		Recently it has been shown that the ground state structure strongly depends on [[pressure]], cutoff radius and the potential truncation method; and stacking sequences (polytypes) other than fcc and hcp can be the ground state structure too, e.g. dhcp, 9R...etc.
	<ref>[http://dx.doi.org/10.1039/C7CP02923C L.B. ~~Partay et al~~. "Polytypism in the ground state structure of the Lennard-Jonesium", Physical Chemistry Chemical Physics '''19''' 19369 (2017)]</ref>.		<ref>[http://dx.doi.org/10.1039/C7CP02923C Lívia B. Pártay, Christoph Ortner, Albert P. Bartók, Chris J. Pickard and Gábor Csányi "Polytypism in the ground state structure of the Lennard-Jonesium", Physical Chemistry Chemical Physics '''19''' 19369 (2017)]</ref>.

	==See also==		==See also==

51.9.120.47: /* Solid phase */

2017-07-27T14:52:27Z

Solid phase

← Older revision		Revision as of 16:52, 27 July 2017
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	The Lennard-Jones potential has been known to form either hexagonal close-packed (hcp) or face-centred-cubic (fcc) structure. <ref>[http://dx.doi.org/10.1063/1.4955061 Hertanto Adidharma and Sugata P. Tan "Accurate Monte Carlo simulations on FCC and HCP Lennard-Jones solids at very low temperatures and high reduced densities up to 1.30", Journal of Chemical Physics '''145''' 014503 (2016)]</ref>		The Lennard-Jones potential has been known to form either hexagonal close-packed (hcp) or face-centred-cubic (fcc) structure. <ref>[http://dx.doi.org/10.1063/1.4955061 Hertanto Adidharma and Sugata P. Tan "Accurate Monte Carlo simulations on FCC and HCP Lennard-Jones solids at very low temperatures and high reduced densities up to 1.30", Journal of Chemical Physics '''145''' 014503 (2016)]</ref>
	Recently it has been shown that the ground state structure strongly depends on pressure, cutoff radius and the potential truncation method; and stacking sequences (polytypes) other than fcc and hcp can be the ground state structure too, e.g. dhcp, 9R...etc.		Recently it has been shown that the ground state structure strongly depends on pressure, cutoff radius and the potential truncation method; and stacking sequences (polytypes) other than fcc and hcp can be the ground state structure too, e.g. dhcp, 9R...etc.
	<ref>[http://dx.doi.org/0.1039/~~c7cp02923c~~ L.B. Partay et al. "Polytypism in the ground state structure of the Lennard-Jonesium", Physical Chemistry Chemical Physics '''19''' 19369 (2017)]</ref>.		<ref>[http://dx.doi.org/10.1039/C7CP02923C L.B. Partay et al. "Polytypism in the ground state structure of the Lennard-Jonesium", Physical Chemistry Chemical Physics '''19''' 19369 (2017)]</ref>.

	==See also==		==See also==

51.9.120.47: /* Solid phase */

2017-07-27T14:50:40Z

Solid phase

← Older revision		Revision as of 16:50, 27 July 2017
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	<ref>[http://dx.doi.org/10.1063/1.2953327 Hagai Eshet, Fabien Bruneval, and Michele Parrinello "New Lennard-Jones metastable phase", Journal of Chemical Physics '''129''' 026101 (2008)]</ref>		<ref>[http://dx.doi.org/10.1063/1.2953327 Hagai Eshet, Fabien Bruneval, and Michele Parrinello "New Lennard-Jones metastable phase", Journal of Chemical Physics '''129''' 026101 (2008)]</ref>
	==Solid phase==		==Solid phase==
	<ref>[http://dx.doi.org/10.1063/1.4955061 Hertanto Adidharma and Sugata P. Tan "Accurate Monte Carlo simulations on FCC and HCP Lennard-Jones solids at very low temperatures and high reduced densities up to 1.30", Journal of Chemical Physics '''145''' 014503 (2016)]</ref>.		The Lennard-Jones potential has been known to form either hexagonal close-packed (hcp) or face-centred-cubic (fcc) structure. <ref>[http://dx.doi.org/10.1063/1.4955061 Hertanto Adidharma and Sugata P. Tan "Accurate Monte Carlo simulations on FCC and HCP Lennard-Jones solids at very low temperatures and high reduced densities up to 1.30", Journal of Chemical Physics '''145''' 014503 (2016)]</ref>
			Recently it has been shown that the ground state structure strongly depends on pressure, cutoff radius and the potential truncation method; and stacking sequences (polytypes) other than fcc and hcp can be the ground state structure too, e.g. dhcp, 9R...etc.
			<ref>[http://dx.doi.org/0.1039/c7cp02923c L.B. Partay et al. "Polytypism in the ground state structure of the Lennard-Jonesium", Physical Chemistry Chemical Physics '''19''' 19369 (2017)]</ref>.

	==See also==		==See also==
	*[[Lennard-Jones equation of state]]		*[[Lennard-Jones equation of state]]

Carl McBride: Added a recent publication

2016-07-12T11:57:37Z

Added a recent publication

← Older revision		Revision as of 13:57, 12 July 2016
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	<ref>[http://dx.doi.org/10.1103/PhysRev.184.151 Jean-Pierre Hansen and Loup Verlet "Phase Transitions of the Lennard-Jones System", Physical Review '''184''' pp. 151-161 (1969)]</ref>,		<ref>[http://dx.doi.org/10.1103/PhysRev.184.151 Jean-Pierre Hansen and Loup Verlet "Phase Transitions of the Lennard-Jones System", Physical Review '''184''' pp. 151-161 (1969)]</ref>,
	and on the [[Phase diagrams: Pressure-temperature plane\|pressure-temperature plane]] in Figure 6 of <ref>[http://dx.doi.org/10.1063/1.4898371 Alex Travesset "Phase diagram of power law and Lennard-Jones systems: Crystal phases", Journal of Chemical Physics '''141''' 164501 (2014)]</ref>.		and on the [[Phase diagrams: Pressure-temperature plane\|pressure-temperature plane]] in Figure 6 of <ref>[http://dx.doi.org/10.1063/1.4898371 Alex Travesset "Phase diagram of power law and Lennard-Jones systems: Crystal phases", Journal of Chemical Physics '''141''' 164501 (2014)]</ref>.

	==4 dimensions==		==4 dimensions==
	<ref>[http://dx.doi.org/10.1063/1.480138 M. Hloucha and S. I. Sandler "Phase diagram of the four-dimensional Lennard-Jones fluid", Journal of Chemical Physics '''111''' pp. 8043-8047 (1999)]</ref>		<ref>[http://dx.doi.org/10.1063/1.480138 M. Hloucha and S. I. Sandler "Phase diagram of the four-dimensional Lennard-Jones fluid", Journal of Chemical Physics '''111''' pp. 8043-8047 (1999)]</ref>
	==Metastable phase==		==Metastable phase==
	<ref>[http://dx.doi.org/10.1063/1.2953327 Hagai Eshet, Fabien Bruneval, and Michele Parrinello "New Lennard-Jones metastable phase", Journal of Chemical Physics '''129''' 026101 (2008)]</ref>		<ref>[http://dx.doi.org/10.1063/1.2953327 Hagai Eshet, Fabien Bruneval, and Michele Parrinello "New Lennard-Jones metastable phase", Journal of Chemical Physics '''129''' 026101 (2008)]</ref>
			==Solid phase==
			<ref>[http://dx.doi.org/10.1063/1.4955061 Hertanto Adidharma and Sugata P. Tan "Accurate Monte Carlo simulations on FCC and HCP Lennard-Jones solids at very low temperatures and high reduced densities up to 1.30", Journal of Chemical Physics '''145''' 014503 (2016)]</ref>.
	==See also==		==See also==
	*[[Lennard-Jones equation of state]]		*[[Lennard-Jones equation of state]]

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

2016-04-05T13:31:42Z

References: Added a recent publication

← Older revision		Revision as of 15:31, 5 April 2016
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	*[http://dx.doi.org/10.1063/1.462271 B. Smit "Phase diagrams of Lennard‐Jones fluids", Journal of Chemical Physics '''96''' pp. 8639-8640 (1992)]		*[http://dx.doi.org/10.1063/1.462271 B. Smit "Phase diagrams of Lennard‐Jones fluids", Journal of Chemical Physics '''96''' pp. 8639-8640 (1992)]
	*[http://dx.doi.org/10.1063/1.4720089 Hiroshi Watanabe, Nobuyasu Ito, and Chin-Kun Hu "Phase diagram and universality of the Lennard-Jones gas-liquid system", Journal of Chemical Physics '''136''' 204102 (2012)]		*[http://dx.doi.org/10.1063/1.4720089 Hiroshi Watanabe, Nobuyasu Ito, and Chin-Kun Hu "Phase diagram and universality of the Lennard-Jones gas-liquid system", Journal of Chemical Physics '''136''' 204102 (2012)]
			*[http://dx.doi.org/10.1063/1.4944069 C. Calero1, C. Knorowski and A. Travesset "Determination of anharmonic free energy contributions: Low temperature phases of the Lennard-Jones system", Journal of Chemical Physics '''144''' 124102 (2016)]

	[[category: phase diagrams]]		[[category: phase diagrams]]

Carl McBride: /* 3 dimensions */ Added a recent publication

2014-11-04T12:33:02Z

3 dimensions: Added a recent publication

← Older revision		Revision as of 14:33, 4 November 2014
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	<ref>[http://dx.doi.org/10.1016/0378-4371(81)90222-3 J. A. Barker, D. Henderson, and F. F. Abraham "Phase diagram of the two-dimensional Lennard-Jones system; Evidence for first-order transitions", Physica A '''106''' pp. 226-238 (1981)]</ref>		<ref>[http://dx.doi.org/10.1016/0378-4371(81)90222-3 J. A. Barker, D. Henderson, and F. F. Abraham "Phase diagram of the two-dimensional Lennard-Jones system; Evidence for first-order transitions", Physica A '''106''' pp. 226-238 (1981)]</ref>
	==3 dimensions==		==3 dimensions==
	A very nice example of the phase diagram in the [[density-temperature]] plane is given in ~~figure~~ 3 of		A very nice example of the phase diagram in the [[density-temperature]] plane is given in Figure 3 of
	<ref>[http://dx.doi.org/10.1103/PhysRev.184.151 Jean-Pierre Hansen and Loup Verlet "Phase Transitions of the Lennard-Jones System", Physical Review '''184''' pp. 151-161 (1969)]</ref>		<ref>[http://dx.doi.org/10.1103/PhysRev.184.151 Jean-Pierre Hansen and Loup Verlet "Phase Transitions of the Lennard-Jones System", Physical Review '''184''' pp. 151-161 (1969)]</ref>,
			and on the [[Phase diagrams: Pressure-temperature plane\|pressure-temperature plane]] in Figure 6 of <ref>[http://dx.doi.org/10.1063/1.4898371 Alex Travesset "Phase diagram of power law and Lennard-Jones systems: Crystal phases", Journal of Chemical Physics '''141''' 164501 (2014)]</ref>.

	==4 dimensions==		==4 dimensions==
	<ref>[http://dx.doi.org/10.1063/1.480138 M. Hloucha and S. I. Sandler "Phase diagram of the four-dimensional Lennard-Jones fluid", Journal of Chemical Physics '''111''' pp. 8043-8047 (1999)]</ref>		<ref>[http://dx.doi.org/10.1063/1.480138 M. Hloucha and S. I. Sandler "Phase diagram of the four-dimensional Lennard-Jones fluid", Journal of Chemical Physics '''111''' pp. 8043-8047 (1999)]</ref>

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

2012-05-25T09:47:44Z

References: Added a recent publication

← Older revision		Revision as of 11:47, 25 May 2012
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	<references/>		<references/>
	'''Related reading'''		'''Related reading'''
	*[http://dx.doi.org/10.1063/1.462271 B. Smit "Phase diagrams of Lennard‐Jones fluids", Journal of Chemical Physics '''96''' pp- 8639-8640 (1992)]		*[http://dx.doi.org/10.1063/1.462271 B. Smit "Phase diagrams of Lennard‐Jones fluids", Journal of Chemical Physics '''96''' pp. 8639-8640 (1992)]
			*[http://dx.doi.org/10.1063/1.4720089 Hiroshi Watanabe, Nobuyasu Ito, and Chin-Kun Hu "Phase diagram and universality of the Lennard-Jones gas-liquid system", Journal of Chemical Physics '''136''' 204102 (2012)]

	[[category: phase diagrams]]		[[category: phase diagrams]]

Carl McBride: Changed references to Cite format

2010-05-04T11:50:13Z

Changed references to Cite format

← Older revision		Revision as of 13:50, 4 May 2010
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	The [[phase diagrams \|phase diagram]] of the [[Lennard-Jones model]].		The [[phase diagrams \|phase diagram]] of the [[Lennard-Jones model]].
	==2 dimensions==		==2 dimensions==
	#[http://dx.doi.org/10.1016/0378-4371(81)90222-3 J. A. Barker, D. Henderson, and F. F. Abraham "Phase diagram of the two-dimensional Lennard-Jones system; Evidence for first-order transitions", Physica A '''106''' pp. 226-238 (1981)]		<ref>[http://dx.doi.org/10.1016/0378-4371(81)90222-3 J. A. Barker, D. Henderson, and F. F. Abraham "Phase diagram of the two-dimensional Lennard-Jones system; Evidence for first-order transitions", Physica A '''106''' pp. 226-238 (1981)]</ref>
	==3 dimensions==		==3 dimensions==
	A very nice example of the phase diagram in the [[density-temperature]] plane is given in figure 3 of ~~the following paper:~~		A very nice example of the phase diagram in the [[density-temperature]] plane is given in figure 3 of
	#[http://dx.doi.org/10.1103/PhysRev.184.151 Jean-Pierre Hansen and Loup Verlet "Phase Transitions of the Lennard-Jones System", Physical Review '''184''' pp. 151-161 (1969)]		<ref>[http://dx.doi.org/10.1103/PhysRev.184.151 Jean-Pierre Hansen and Loup Verlet "Phase Transitions of the Lennard-Jones System", Physical Review '''184''' pp. 151-161 (1969)]</ref>
	==4 dimensions==		==4 dimensions==
	#[http://dx.doi.org/10.1063/1.480138 M. Hloucha and S. I. Sandler "Phase diagram of the four-dimensional Lennard-Jones fluid", Journal of Chemical Physics '''111''' pp. 8043-8047 (1999)]		<ref>[http://dx.doi.org/10.1063/1.480138 M. Hloucha and S. I. Sandler "Phase diagram of the four-dimensional Lennard-Jones fluid", Journal of Chemical Physics '''111''' pp. 8043-8047 (1999)]</ref>
	==Metastable phase==		==Metastable phase==
	#[http://dx.doi.org/10.1063/1.2953327 Hagai Eshet, Fabien Bruneval, and Michele Parrinello "New Lennard-Jones metastable phase", Journal of Chemical Physics '''129''' 026101 (2008)]		<ref>[http://dx.doi.org/10.1063/1.2953327 Hagai Eshet, Fabien Bruneval, and Michele Parrinello "New Lennard-Jones metastable phase", Journal of Chemical Physics '''129''' 026101 (2008)]</ref>
	==See also==		==See also==
	*[[Lennard-Jones equation of state]]		*[[Lennard-Jones equation of state]]
			==References==
			<references/>
			'''Related reading'''
			*[http://dx.doi.org/10.1063/1.462271 B. Smit "Phase diagrams of Lennard‐Jones fluids", Journal of Chemical Physics '''96''' pp- 8639-8640 (1992)]
	[[category: phase diagrams]]		[[category: phase diagrams]]

128.32.198.160 at 21:20, 15 May 2009

2009-05-15T21:20:00Z

← Older revision		Revision as of 23:20, 15 May 2009
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	The [[phase diagrams \|phase diagram]] of the [[Lennard-Jones model]].		The [[phase diagrams \|phase diagram]] of the [[Lennard-Jones model]].
	==2 dimensions==		==2 dimensions==
	#[http://dx.doi.org/10.1016/0378-4371(81)90222-3 J. A. Barker, D. Henderson, and F. F. Abraham "Phase diagram of the two-dimensional Lennard-Jones system; Evidence for first-order transitions", Physica A '''106''' pp. 226-238]		#[http://dx.doi.org/10.1016/0378-4371(81)90222-3 J. A. Barker, D. Henderson, and F. F. Abraham "Phase diagram of the two-dimensional Lennard-Jones system; Evidence for first-order transitions", Physica A '''106''' pp. 226-238 (1981)]
	==3 dimensions==		==3 dimensions==
	A very nice example of the phase diagram in the [[density-temperature]] plane is given in figure 3 of the following paper:		A very nice example of the phase diagram in the [[density-temperature]] plane is given in figure 3 of the following paper:

128.32.198.160: Added reference for d=2

2009-05-15T21:10:31Z

Added reference for d=2

← Older revision		Revision as of 23:10, 15 May 2009
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	{{Stub-general}}		{{Stub-general}}
	The [[phase diagrams \|phase diagram]] of the [[Lennard-Jones model]]. A very nice example of the phase diagram in the [[density-temperature]] plane is given in figure 3 of ~~Ref~~. 1.		The [[phase diagrams \|phase diagram]] of the [[Lennard-Jones model]].
			==2 dimensions==
			#[http://dx.doi.org/10.1016/0378-4371(81)90222-3 J. A. Barker, D. Henderson, and F. F. Abraham "Phase diagram of the two-dimensional Lennard-Jones system; Evidence for first-order transitions", Physica A '''106''' pp. 226-238]
			==3 dimensions==
			A very nice example of the phase diagram in the [[density-temperature]] plane is given in figure 3 of the following paper:
			#[http://dx.doi.org/10.1103/PhysRev.184.151 Jean-Pierre Hansen and Loup Verlet "Phase Transitions of the Lennard-Jones System", Physical Review '''184''' pp. 151-161 (1969)]
	==4 dimensions==		==4 dimensions==
	#[http://dx.doi.org/10.1063/1.480138 M. Hloucha and S. I. Sandler "Phase diagram of the four-dimensional Lennard-Jones fluid", Journal of Chemical Physics '''111''' pp. 8043-8047 (1999)]		#[http://dx.doi.org/10.1063/1.480138 M. Hloucha and S. I. Sandler "Phase diagram of the four-dimensional Lennard-Jones fluid", Journal of Chemical Physics '''111''' pp. 8043-8047 (1999)]
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	==See also==		==See also==
	*[[Lennard-Jones equation of state]]		*[[Lennard-Jones equation of state]]
	~~==References==~~
	~~#[http://dx.doi.org/10.1103/PhysRev.184.151 Jean-Pierre Hansen and Loup Verlet "Phase Transitions of the Lennard-Jones System", Physical Review '''184''' pp. 151-161 (1969)]~~
	[[category: phase diagrams]]		[[category: phase diagrams]]