Lebwohl-Lasher model: Difference between revisions
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The ''' | The '''Lebwohl–Lasher model''' is a lattice version of the [[Maier-Saupe mean field model]] of a [[Nematic phase | nematic liquid crystal]] | ||
<ref>[http://dx.doi.org/10.1103/PhysRevA.6.426 P. A. Lebwohl and G. Lasher "Nematic-Liquid-Crystal Order—A Monte Carlo Calculation", Physical Review A '''6''' pp. 426 - 429 (1972)]</ref><ref>[http://dx.doi.org/10.1103/PhysRevA.7.2222.3 Erratum, Physical Review A '''7''' p. 2222 (1973)]</ref>. | <ref>[http://dx.doi.org/10.1103/PhysRevA.6.426 P. A. Lebwohl and G. Lasher "Nematic-Liquid-Crystal Order—A Monte Carlo Calculation", Physical Review A '''6''' pp. 426 - 429 (1972)]</ref><ref>[http://dx.doi.org/10.1103/PhysRevA.7.2222.3 Erratum, Physical Review A '''7''' p. 2222 (1973)]</ref>. | ||
The | The Lebwohl–Lasher model consists of a cubic lattice occupied by uniaxial [[Nematic phase|nematogenic]] particles with the [[Intermolecular pair potential | pair potential]] | ||
:<math>\Phi_{ij} = -\ | :<math>\Phi_{ij} = -\epsilon P_2 (\cos \beta_{ij}) </math> | ||
where <math>\ | where <math>\epsilon > 0</math>, <math>\beta_{ij}</math> is the angle between the axes of nearest neighbour particles <math>i</math> and <math>j</math>, and <math>P_2</math> is a second order [[Legendre polynomials |Legendre polynomial]]. | ||
==Isotropic-nematic transition== | ==Isotropic-nematic transition== | ||
Fabbri and Zannoni estimated the transition temperature <ref>[http://dx.doi.org/10.1080/00268978600101561 U. Fabbri and C. Zannoni "A Monte Carlo investigation of the | Fabbri and Zannoni estimated the transition temperature <ref>[http://dx.doi.org/10.1080/00268978600101561 U. Fabbri and C. Zannoni "A Monte Carlo investigation of the Lebwohl–Lasher lattice model in the vicinity of its orientational phase transition", Molecular Physics pp. 763-788 '''58''' (1986)]</ref> via a [[Monte Carlo]] simulation: | ||
:<math>T^*_{NI}= \frac{k_BT_{NI}}{\epsilon}=1.1232 \pm 0.0006</math> | :<math>T^*_{NI}= \frac{k_BT_{NI}}{\epsilon}=1.1232 \pm 0.0006</math> | ||
More recently N. V. Priezjev and Robert A. Pelcovits <ref>[http://dx.doi.org/10.1103/PhysRevE.63.062702 N. V. Priezjev and Robert A. Pelcovits ''Cluster Monte Carlo simulations of the nematic-isotropic transition'' Phys. Rev. E 63, 062702 (2001) [4 pages]] </ref> used a Monte Carlo [[cluster algorithms|cluster algorithm]] and | More recently N. V. Priezjev and Robert A. Pelcovits <ref>[http://dx.doi.org/10.1103/PhysRevE.63.062702 N. V. Priezjev and Robert A. Pelcovits ''Cluster Monte Carlo simulations of the nematic-isotropic transition'' Phys. Rev. E 63, 062702 (2001) [4 pages]] </ref> used a Monte Carlo [[cluster algorithms|cluster algorithm]] and obtained: | ||
:<math>T^*_{NI}= \frac{k_BT_{NI}}{\epsilon}=1.1225 \pm 0.0001 </math> | :<math>T^*_{NI}= \frac{k_BT_{NI}}{\epsilon}=1.1225 \pm 0.0001 </math> | ||
See also the paper by Zhang ''et al.'' <ref>[http://dx.doi.org/10.1103/PhysRevLett.69.2803 Zhengping Zhang, Ole G. Mouritsen, and Martin J. Zuckermann, "Weak first-order orientational transition in the | See also the paper by Zhang ''et al.'' <ref>[http://dx.doi.org/10.1103/PhysRevLett.69.2803 Zhengping Zhang, Ole G. Mouritsen, and Martin J. Zuckermann, "Weak first-order orientational transition in the Lebwohl–Lasher model for liquid crystals", Physical Review Letters '''69''' pp. 2803-2806 (1992)]</ref> and that of Shekhar et al. <ref>[http://dx.doi.org/10.1063/1.4722209 Raj Shekhar, Jonathan K. Whitmer, Rohit Malshe, J. A. Moreno-Razo, Tyler F. Roberts, and Juan J. de Pablo "Isotropic–nematic phase transition in the Lebwohl–Lasher model from density of states simulations", Journal of Chemical Physics '''136''' 234503 (2012)]</ref>. | ||
==Confined systems== | |||
The Lebwohl–Lasher model has been used to study the effect of [[Confined systems |confinement]] in the phase | |||
behavior of nematogens <ref>[http://dx.doi.org/10.1080/00268979300102251 Douglas J. Cleaver and Michael P. Allen, " Computer simulation of liquid crystal films", Molecular Physics '''80''' pp 253-276 (1993) ]</ref> | |||
==Planar Lebwohl–Lasher model == | ==Planar Lebwohl–Lasher model == | ||
The planar | The planar Lebwohl–Lasher appears when the lattice considered is two-dimensional. The square lattice is the usual choice for most of the simulation studies. | ||
This system exhibits a continuous transition. The ascription of such a transition to the | This system exhibits a continuous transition. The ascription of such a transition to the | ||
[[Kosterlitz-Thouless transition|Kosterlitz-Touless]] type is still under discussion | [[Kosterlitz-Thouless transition|Kosterlitz-Touless]] type is still under discussion | ||
<ref>[http://dx.doi.org/10.1016/S0375-9601(03)00576-0 Enakshi Mondal and Soumen Kumar Roy "Finite size scaling in the planar Lebwohl–Lasher model", Physics Letters A '''312''' pp. 397-410 (2003)]</ref> | <ref>[http://dx.doi.org/10.1016/S0375-9601(03)00576-0 Enakshi Mondal and Soumen Kumar Roy "Finite size scaling in the planar Lebwohl–Lasher model", Physics Letters A '''312''' pp. 397-410 (2003)]</ref> | ||
<ref>[http://dx.doi.org/10.1016/0378-4371(88)90148-3 C. Chiccoli, P. Pasini, and C. Zannoni "A Monte Carlo investigation of the planar | <ref>[http://dx.doi.org/10.1016/0378-4371(88)90148-3 C. Chiccoli, P. Pasini, and C. Zannoni "A Monte Carlo investigation of the planar Lebwohl–Lasher lattice model", Physica A '''148''' pp. 298-311 (1988)]</ref> | ||
<ref> [http://link.aps.org/doi/10.1103/PhysRevB.46.662 H. Kunz, and G. Zumbach "Topological phase transition in a two-dimensional nematic n-vector model: A numerical study" Physical Review B '''46''', 662-673 (1992) ]</ref> | <ref> [http://link.aps.org/doi/10.1103/PhysRevB.46.662 H. Kunz, and G. Zumbach "Topological phase transition in a two-dimensional nematic n-vector model: A numerical study" Physical Review B '''46''', 662-673 (1992) ]</ref> | ||
<ref>[http://link.aps.org/doi/10.1103/PhysRevE.78.051706 Ricardo Paredes V., Ana Isabel Fariñas-Sánchez, and Robert Botet "No quasi-long-range order in a two-dimensional liquid crystal", Physical Review E 78, 051706 (2008)]</ref> | <ref>[http://link.aps.org/doi/10.1103/PhysRevE.78.051706 Ricardo Paredes V., Ana Isabel Fariñas-Sánchez, and Robert Botet "No quasi-long-range order in a two-dimensional liquid crystal", Physical Review E 78, 051706 (2008)]</ref>. | ||
==Lattice Gas | ==Lattice Gas Lebwohl–Lasher model== | ||
This model is the [[lattice gas]] version of the | This model is the [[lattice gas]] version of the Lebwohl–Lasher model. In this case | ||
the sites of the lattice can be occupied by particles or empty. The interaction | the sites of the lattice can be occupied by particles or empty. The interaction | ||
between nearest-neighbour particles is that of the | between nearest-neighbour particles is that of the Lebwohl–Lasher model. | ||
This model has been studied in | This model has been studied in | ||
<ref>[http://dx.doi.org/10.1103/PhysRevE.64.051702 Martin A. Bates "Computer simulation study of the phase behavior of a nematogenic lattice-gas model", Physical Review E '''64''' 051702 (2001)]</ref>. | <ref>[http://dx.doi.org/10.1103/PhysRevE.64.051702 Martin A. Bates "Computer simulation study of the phase behavior of a nematogenic lattice-gas model", Physical Review E '''64''' 051702 (2001)]</ref>. |
Latest revision as of 22:54, 17 September 2018
The Lebwohl–Lasher model is a lattice version of the Maier-Saupe mean field model of a nematic liquid crystal [1][2]. The Lebwohl–Lasher model consists of a cubic lattice occupied by uniaxial nematogenic particles with the pair potential
where , is the angle between the axes of nearest neighbour particles and , and is a second order Legendre polynomial.
Isotropic-nematic transition[edit]
Fabbri and Zannoni estimated the transition temperature [3] via a Monte Carlo simulation:
More recently N. V. Priezjev and Robert A. Pelcovits [4] used a Monte Carlo cluster algorithm and obtained:
See also the paper by Zhang et al. [5] and that of Shekhar et al. [6].
Confined systems[edit]
The Lebwohl–Lasher model has been used to study the effect of confinement in the phase behavior of nematogens [7]
Planar Lebwohl–Lasher model[edit]
The planar Lebwohl–Lasher appears when the lattice considered is two-dimensional. The square lattice is the usual choice for most of the simulation studies. This system exhibits a continuous transition. The ascription of such a transition to the Kosterlitz-Touless type is still under discussion [8] [9] [10] [11].
Lattice Gas Lebwohl–Lasher model[edit]
This model is the lattice gas version of the Lebwohl–Lasher model. In this case the sites of the lattice can be occupied by particles or empty. The interaction between nearest-neighbour particles is that of the Lebwohl–Lasher model. This model has been studied in [12].
References[edit]
- ↑ P. A. Lebwohl and G. Lasher "Nematic-Liquid-Crystal Order—A Monte Carlo Calculation", Physical Review A 6 pp. 426 - 429 (1972)
- ↑ Erratum, Physical Review A 7 p. 2222 (1973)
- ↑ U. Fabbri and C. Zannoni "A Monte Carlo investigation of the Lebwohl–Lasher lattice model in the vicinity of its orientational phase transition", Molecular Physics pp. 763-788 58 (1986)
- ↑ N. V. Priezjev and Robert A. Pelcovits Cluster Monte Carlo simulations of the nematic-isotropic transition Phys. Rev. E 63, 062702 (2001) [4 pages]
- ↑ Zhengping Zhang, Ole G. Mouritsen, and Martin J. Zuckermann, "Weak first-order orientational transition in the Lebwohl–Lasher model for liquid crystals", Physical Review Letters 69 pp. 2803-2806 (1992)
- ↑ Raj Shekhar, Jonathan K. Whitmer, Rohit Malshe, J. A. Moreno-Razo, Tyler F. Roberts, and Juan J. de Pablo "Isotropic–nematic phase transition in the Lebwohl–Lasher model from density of states simulations", Journal of Chemical Physics 136 234503 (2012)
- ↑ Douglas J. Cleaver and Michael P. Allen, " Computer simulation of liquid crystal films", Molecular Physics 80 pp 253-276 (1993)
- ↑ Enakshi Mondal and Soumen Kumar Roy "Finite size scaling in the planar Lebwohl–Lasher model", Physics Letters A 312 pp. 397-410 (2003)
- ↑ C. Chiccoli, P. Pasini, and C. Zannoni "A Monte Carlo investigation of the planar Lebwohl–Lasher lattice model", Physica A 148 pp. 298-311 (1988)
- ↑ H. Kunz, and G. Zumbach "Topological phase transition in a two-dimensional nematic n-vector model: A numerical study" Physical Review B 46, 662-673 (1992)
- ↑ Ricardo Paredes V., Ana Isabel Fariñas-Sánchez, and Robert Botet "No quasi-long-range order in a two-dimensional liquid crystal", Physical Review E 78, 051706 (2008)
- ↑ Martin A. Bates "Computer simulation study of the phase behavior of a nematogenic lattice-gas model", Physical Review E 64 051702 (2001)