The Dynamics of Some Nematic Liquid Crystals

Agelmenev, M.E.; Muldakhmetov, Z. M.; Bratukhin, S. M.; Pak, V. G.; Polikarpov, V. V.; Yakovleva, О. А.

doi:10.1080/15421400802430273

Cited by 6 publications

(12 citation statements)

References 7 publications

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“…With temperature raise the left parts of graphs D (a) increase, right -decrease. At some curves the common points of intersection in the right part of the graph, lying in the region of 50-60 are observed, which are slightly higher than the values that were observed earlier [11,12]. The influence of the substrate orientation is not so equivocal.…”

Section: Modeling Of Behavior Of the Binary Mixtures At The Approacontrasting

confidence: 49%

“…6), shows that in process of the annealing molecules are not developed strongly, keeping the direction of the director almost invariable. It is enough to compare situation with nematic liquid crystals [11,12], where there are always pairs with angles, bigger then 90 . The curves shown correspond to the temperatures, which conform to the various phase conditions.…”

Section: Resultsmentioning

confidence: 99%

“…The annealing time at one temperature was 10 picoseconds, but at that condition cluster was settled down in one cell, so the liquid modular condition of the system has been realized [11,12]. The vector of intensity of electric field has been directed perpendicularly to the substrate, and its value was equal to 1.0 Â 10 7 V=m.…”

Section: Experimental Methodsmentioning

confidence: 99%

“…At carrying out of computer modeling consecutive annealing has been done [11][12]. The size of the initial cluster had the following sizes À10 Â 6 Â 11 molecules and included 660 molecules or 97020 atoms.…”

Section: Experimental Methodsmentioning

confidence: 99%

“…Nematic liquid crystals based on arylpropargyl ethers of phenols (APEP) offer promise for the improvement of the temperature characteristics of liquid crystalline devices [11,12]. The perfecting of the mesogenic properties of compounds cannot be accomplished without detailed information about processes in them.…”

Section: Modeling Of Behavior Of the Binary Mixtures At The Approamentioning

confidence: 99%

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The Modeling with Free Boundary

Agelmenev

2011

Molecular Crystals and Liquid Crystals

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In this work the results of modeling of the liquid crystals that have different types of the mesomorphism are presented. The simulation was done by the method of the molecular dynamics without setting boundary conditions, which is allowed for recording the liquid aggregate state.Keywords Arylpropargyl ethers of phenols; asymmetrically substituted 1,1 0 -bis ferrocene; modeling with free boundary; nematic and smectic liquid crystal

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Section: Modeling Of Behavior Of the Binary Mixtures At The Approacontrasting

confidence: 49%

Section: Resultsmentioning

confidence: 99%

Section: Experimental Methodsmentioning

confidence: 99%

Section: Experimental Methodsmentioning

confidence: 99%

Section: Modeling Of Behavior Of the Binary Mixtures At The Approamentioning

confidence: 99%

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The Modeling with Free Boundary

Agelmenev

2011

Molecular Crystals and Liquid Crystals

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Modelling of structure and interpretation of IR absorption spectra for crystals of substituted aryl propargyl ethers of phenols

et al. 2009

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535.34:547IR absorption spectra of mesogenic crystals based on substituted aryl propargyl ethers of phenols (APEP) are calculated and analyzed using the LADY program. Force constants and interatomic potentials of atoms not covalently bonded adequately describe experimental IR spectra. The corresponding bands in the absorption spectra are interpreted. The influence of the substitution type on the force field of separate molecules in APEP crystals is clarified.Introduction. Nematic liquid crystals based on arylpropargyl ethers of phenols (APEP) [1-5] are promising materials for improving the temperature characteristics of liquid-crystal devices. However, the relationships of the macro-and microparameters of the materials and their structures must be understood before they can be used. It is important to find the effect of the type of substitution for the H atoms in the benzene rings on the physicochemical properties of the crystals.The need for a detailed study of the structure and properties of the liquid-crystalline states of APEP has focused attention on the solid crystalline state preceding the mesophase because it generates and is mainly responsible for its properties. The principal value of studying the crystal structure of liquid-crystalline compounds is that conclusions can be made about the structure and presence of molecular degrees of freedom that probably occur in the mesophase based on the molecular organization observed in the solid phase and calculated energies of the intermolecular interactions [6].Herein we use IR absorption vibrational spectroscopy (experiment, theory) to study IR spectra of APEP. Spectra were recorded on a Fourier-transform Avatar 360 ESP spectrometer in the range 4000-400 cm -1 with 4 cm

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