Works (35)
Updated: August 3rd, 2023 21:16
2019 journal article
Molecular theory of a ferromagnetic nematic liquid crystal
PHYSICAL REVIEW E, 100(2).
TL;DR:
A version of classical density functional theory is employed to study the phase behavior of a simple model liquid crystal in an external field and gives a simple argument that explains why nematic order is lost whereas polar order persists up to the gas-liquid critical point along the coexistence curve.
(via Semantic Scholar)
Source: Web Of Science
Added: August 26, 2019
2019 article
The formation of biaxial nematic phases in binary mixtures of thermotropic liquid-crystals composed of uniaxial molecules
Skutnik, R. A., Lehmann, L., Pueschel-Schlotthauer, S., Jackson, G., & Schoen, M. (2019, October 18). MOLECULAR PHYSICS, Vol. 117, pp. 2830–2845.
author keywords: Liquid crystal; binary mixture; nematic phase; biaxiality; Monte Carlo simulation
open access via www.tandfonline.com (publisher PDF)
Source: Web Of Science
Added: April 29, 2019
2018 journal article
Structure and dynamics of solvated polymers near a silica surface: On the different roles played by solvent
Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 122(16), 4573–4582.
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Source: NC State University Libraries
Added: August 6, 2018
2017 journal article
Hydrodynamic cavitation in Stokes flow of anisotropic fluids
NATURE COMMUNICATIONS, 8, 1–11.
TL;DR:
By combining liquid crystal microfluidic experiments, nonequilibrium molecular dynamics simulations and theoretical arguments, flow-induced cavitation in an anisotropic fluid is reported, identifying a critical value of the Reynolds number for cavitation inception that scales inversely with the order parameter of the fluid.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(Web of Science)
Source: Web Of Science
Added: August 6, 2018
2017 journal article
The Impact of Colloidal Surface-Anchoring on the Smectic A Phase
LANGMUIR, 33(9), 2222–2234.
TL;DR:
Monte Carlo simulations are performed to investigate the perturbations of orientational and positional order in a smectic A phase caused by a spherical colloid and model the host phase via an interaction potential that reproduces characteristic features of phase behavior, structure, dynamics, and elasticity.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
14. Life Below Water
(OpenAlex)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018
2016 journal article
A novel model for smectic liquid crystals: Elastic anisotropy and response to a steady-state flow
JOURNAL OF CHEMICAL PHYSICS, 145(16).
TL;DR:
The Frank elastic constants K1, K2, and K3 for the respective splay, twist, and bend deformations of the director field n̂ are no longer equal and exhibit a temperature dependence observed experimentally for cyanobiphenyls.
(via Semantic Scholar)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018
2016 journal article
Mean-field density functional theory of a nanoconfined classical, three-dimensional Heisenberg fluid. I. The role of molecular anchoring
JOURNAL OF CHEMICAL PHYSICS, 144(19).
TL;DR:
This work uses classical density functional theory (DFT) to investigate for the first time equilibrium properties of a Heisenberg fluid confined to nanoscopic slit pores of variable width and employs a Yukawa potential to model the distance dependence of the attractions.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
13. Climate Action
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018
2015 journal article
Anisotropy and probe-medium interactions in the microrheology of nematic fluids
JOURNAL OF RHEOLOGY, 60(1), 75–95.
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Source: Web Of Science
Added: August 6, 2018
2015 journal article
Coarse-grained treatment of the self-assembly of colloids suspended in a nematic host phase
SOFT MATTER, 12(2), 469–480.
TL;DR:
A hybrid procedure is developed by combining extensive Monte Carlo (MC) simulations, a local Landau-de Gennes theory, classical density functional theory, and finite-size scaling theory that shows that self-assembled structures formed by the colloids are in excellent agreement with experimental data.
(via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018
2015 journal article
Condensation, demixing, and orientational ordering of magnetic colloidal suspensions
PHYSICAL REVIEW E, 91(5).
TL;DR:
This work studies the phase behavior of magnetic particles suspended in a simple nonmagnetic solvent, modelled as spherical particles carrying a three-dimensional, classical Heisenberg spin, whereas solvent molecules are treated as spherically symmetric Lennard-Jones particles.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
13. Climate Action
(Web of Science)
Source: Web Of Science
Added: August 6, 2018
2015 journal article
Defect topologies in chiral liquid crystals confined to mesoscopic channels
JOURNAL OF CHEMICAL PHYSICS, 142(19).
TL;DR:
Monte Carlo simulations in the grand canonical and canonical ensembles of a chiral liquid crystal confined to mesochannels of variable sizes and geometries give rise to a broad variety of novel, qualitative disclination-line structures that are reported here for the first time.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
11. Sustainable Cities and Communities
(OpenAlex)
Source: Web Of Science
Added: August 6, 2018
2015 journal article
Flow-induced deformation of closed disclination lines near a spherical colloid immersed in a nematic host phase
MOLECULAR PHYSICS, 114(2), 259–275.
author keywords: Colloidal particle; nematic liquid crystal; defect topology; Poiseuille flow; microfluidics; nonequilibrium molecular dynamics simulation
Source: Web Of Science
Added: August 6, 2018
2014 journal article
Density-functional theory and Monte Carlo simulations of the phase behavior of a simple model liquid crystal
PHYSICAL REVIEW E, 90(2).
MeSH headings : Computer Simulation; Gases / chemistry; Liquid Crystals / chemistry; Models, Chemical; Monte Carlo Method; Phase Transition; Temperature
TL;DR:
The combined MMF DFT-GCEMC approach concludes that the isotropic-nematic phase transition is very weakly first order, thus confirming earlier computer simulation results for the same model.
(via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018
2014 journal article
Disclination lines at homogeneous and heterogeneous colloids immersed in a chiral liquid crystal
SOFT MATTER, 10(30), 5489–5502.
TL;DR:
This work performs Monte Carlo simulations in the isothermal-isobaric ensemble to study defect topologies formed in a cholesteric liquid crystal due to the presence of a spherical colloidal particle and presents a simple geometrical argument capable of describing the complex three-dimensional topology of disclination lines evolving near the surface of the colloid.
(via Semantic Scholar)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018
2014 journal article
Effects of flow on topological defects in a nematic liquid crystal near a colloid
JOURNAL OF CHEMICAL PHYSICS, 140(5).
TL;DR:
It is shown that flow distorts Boojum defects into an asymmetrically larger downstream lobe, and that Saturn ring defects are convected downstream along the flow direction, which is in agreement with experimental observations.
(via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018
2014 journal article
Phase behavior of an amphiphilic fluid
PHYSICAL REVIEW E, 89(1).
MeSH headings : Computer Simulation; Microfluidics / methods; Models, Chemical; Models, Molecular; Phase Transition; Solutions / chemistry; Surface-Active Agents / chemistry
TL;DR:
DFT is invoked to investigate the phase behavior of an amphiphilic fluid composed of a hard-sphere core plus a superimposed anisometric Lennard-Jones perturbation and the general topology of the DFT phase diagrams is confirmed.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
13. Climate Action
(Web of Science)
Source: Web Of Science
Added: August 6, 2018
2014 journal article
Topological defects around a spherical nanoparticle in nematic liquid crystal: Coarse-grained molecular dynamics simulations
JOURNAL OF CHEMICAL PHYSICS, 141(11).
TL;DR:
The study demonstrates the potential of coarse-grained simulation methods for studying defects in liquid crystals by simulating the simulation of defects in a nematic liquid crystal around a colloidal particle.
(via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018
2013 journal article
Isotropic-polar phase transitions in an amphiphilic fluid: Density functional theory versus computer simulations
PHYSICAL REVIEW E, 87(1).
TL;DR:
Investigating the critical line separating isotropic from polar phases in an amphiphilic bulk fluid by means of density functional theory (DFT) and Monte Carlo simulations in the isothermal-isobaric ensemble and modified mean-field approximation for the orientation-dependent pair correlation function derives an analytical expression.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
13. Climate Action
(Web of Science)
Source: Web Of Science
Added: August 6, 2018
2013 journal article
Nanoconfinement-Induced Structures in Chiral Liquid Crystals
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 14(9), 17584–17607.
author keywords: liquid crystal; chirality; cholesteric and blue phases; confinement; Monte Carlo simulation
MeSH headings : Liquid Crystals / chemistry; Monte Carlo Method; Stereoisomerism
TL;DR:
This work employs Monte Carlo simulations in a specialized isothermal-isobaric and in the grand canonical ensemble to study structure formation in chiral liquid crystals as a function of molecular chirality, and sees a third structure, which may be thought of as a hybrid, exhibiting mixed features of a cholesteric and a blue phase.
(via Semantic Scholar)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018
2012 journal article
Clustering and mobility of hard rods in a quasicrystalline substrate potential
JOURNAL OF CHEMICAL PHYSICS, 137(22).
TL;DR:
To investigate how the excluded volume of rod-shaped particles influences their phase ordering, studies to spherocylinders are extended and the rod mobility using the kinetic Monte Carlo method and an unexpected mobility enhancement with increasing density are discussed.
(via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018
2012 journal article
Defect topologies in a nematic liquid crystal near a patchy colloid
JOURNAL OF CHEMICAL PHYSICS, 136(19).
MeSH headings : Colloids / chemistry; Computer Simulation; Liquid Crystals / chemistry; Models, Chemical; Monte Carlo Method; Surface Properties; Thermodynamics
TL;DR:
Using isothermal-isobaric Monte Carlo simulations, defect topologies due to a spherical colloidal particle immersed in a nematic liquid crystal are investigated and a boojum ring defect topology is observed in agreement with recent experimental studies.
(via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018
2012 journal article
Diffusivity Maximum in a Reentrant Nematic Phase
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 13(6), 7854–7871.
author keywords: reentrant phase; nematic; dynamics; diffusion
MeSH headings : Hot Temperature; Liquid Crystals / chemistry; Models, Chemical
TL;DR:
How repulsive interactions may be the underlying mechanism that could explain the occurrence of reentrant nematic behavior for polar and non-polar molecules is discussed.
(via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018
2012 journal article
Imprinting substrate structures onto a nematic liquid crystal
JOURNAL OF CHEMICAL PHYSICS, 137(14).
author keywords: molecular orientation; Monte Carlo methods; nematic liquid crystals
TL;DR:
By means of Monte Carlo simulations in the grand canonical ensemble, the morphology of the nematic phase of a simple model liquid crystal interacting with an alternating sequence of chemically different stripes is studied.
(via Semantic Scholar)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018
2011 journal article
Finite-size scaling analysis of isotropic-nematic phase transitions in an anisometric Lennard-Jones fluid
PHYSICAL REVIEW E, 83(1).
TL;DR:
A finite-size scaling analysis of the isotropic-nematic (IN) phase transition using the cumulant intersection method to locate the pressure P* at which the IN phase transition occurs at a given temperature T, consistent with a weakly discontinuous entropy-driven phase transition.
(via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018
2011 journal article
Finite-size scaling analysis of isotropic-polar phase transitions in an amphiphilic fluid
JOURNAL OF PHYSICS-CONDENSED MATTER, 24(3).
MeSH headings : Hydrophobic and Hydrophilic Interactions; Models, Molecular; Molecular Conformation; Monte Carlo Method; Phase Transition; Temperature
TL;DR:
It is demonstrated that a line of continuous phase transitions exists which is analogous to the Curie line in systems exhibiting a ferroelectric transition and these results are qualitatively consistent with Landau's theory of continuously phase transitions.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
13. Climate Action
(Web of Science)
Source: Web Of Science
Added: August 6, 2018
2011 journal article
Orientational prewetting of planar solid substrates by a model liquid crystal
JOURNAL OF CHEMICAL PHYSICS, 135(20).
TL;DR:
The results show that at substrates characterized by degenerate anchoring preWetting occurs at lower μ compared with cases in which the anchoring is monostable, indicating that prewetting transitions are driven by orientational entropy.
(via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018
2011 journal article
Role of stringlike, supramolecular assemblies in reentrant supernematic liquid crystals
PHYSICAL REVIEW E, 83(5).
MeSH headings : Liquid Crystals / chemistry; Molecular Dynamics Simulation; Probability
TL;DR:
It is demonstrated that the unique transport behavior in the RN phase may be linked to a confinement-induced packing effect that causes the formation of supramolecular, stringlike conformations.
(via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018
2011 review
Structure and Dynamics of Reentrant Nematics: Any Open Questions after Almost 40 Years?
[Review of ]. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 12(8), 5352–5372.
author keywords: reentrant phase; nematic; dynamics; diffusion
MeSH headings : Computer Simulation; History, 20th Century; Liquid Crystals / chemistry; Models, Theoretical; Research / history
TL;DR:
This prediction of the reentrancy of phases as temperature, pressure, or concentration are varied is discussed in relation with the available experimental evidence on reentrant nematics and with the dynamics of liquids in strongly confined environments.
(via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018
2010 article
Capillary condensation in deformable mesopores: wetting versus nanomechanics
MOLECULAR PHYSICS, Vol. 109, pp. 83–95.
author keywords: phase transition; capillary condensation; sorption strain; Monte Carlo simulation
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Source: Web Of Science
Added: August 6, 2018
2010 journal article
Entropy-Driven Enhanced Self-Diffusion in Confined Reentrant Supernematics
PHYSICAL REVIEW LETTERS, 105(22).
TL;DR:
A molecular dynamics study of reentrant nematic phases using the Gay-Berne-Kihara model of a liquid crystal in nanoconfinement shows that these "supernematic" phases exhibit a remarkably high self-diffusivity, which exceeds that for ordinary, lower-density nematics phases by an order of magnitude.
(via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018
2010 journal article
Frustration of nanoconfined liquid crystals due to hybrid substrate anchoring
SOFT MATTER, 6(19), 4931–4941.
Source: Web Of Science
Added: August 6, 2018
2010 journal article
Isotropic-nematic phase transitions in confined mesogenic fluids. The role of substrate anchoring
SOFT MATTER, 6(9), 1898–1909.
Source: Web Of Science
Added: August 6, 2018
2010 journal article
Phase transitions in nanoconfined fluids: Synergistic coupling between soft and hard matter
SOFT MATTER, 6(23), 5832–5838.
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Source: Web Of Science
Added: August 6, 2018
2010 journal article
Pore-lattice deformations in ordered mesoporous matrices: experimental studies and theoretical analysis
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 12(37), 11267–11279.
TL;DR:
In situ small angle X-ray diffraction experiments are presented providing evidence for a sorption strain induced in the solid that manifests itself as a change in the lattice parameter of the ordered mesopore array as the pores gradually adsorb fluid material.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Source: Web Of Science
Added: August 6, 2018
2009 journal article
Sorption strain as a packing phenomenon
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 11(40), 9082–9092.
TL;DR:
The results indicate for the first time that the previously observed variation of sorption strains with the amount of adsorbed fluid material is caused by packing effects but is largely independent of the precise nature of the thermodynamic state considered.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
16. Peace, Justice and Strong Institutions
(OpenAlex)
Source: Web Of Science
Added: August 6, 2018
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