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Register a new userNematic and smectic liquid crystals modeling with stiff and free-joint Lennard-Jones chain molecules
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Liquid crystals (LCs) composed of mesogens play important roles in various scientific and engineering problems. How a system with many mesogens can enter a LC state is an interesting and important problem. Using stiff and free-joint Lennard-Jones chain molecules as mesogens, we study the conditions under which the mesogens can enter various LC phases. The guideline is to eliminate the unwanted translational orders under a controlled fine-tuning procedure across a sequence of systems. Instead of monitoring the growth of order out of the disorder, we prepare a configuration of high orientation ordering and find out where it relaxes to. Such a procedure begins with a reference system, consisting of short chains of homogeneous soft spheres, in a liquid-vapor coexistence situation, at which the thermodynamic instability triggers a fast spontaneous growing process. By applying a short pulse of auxiliary field to align the dispersedly oriented clusters, followed by reducing the volume and, finally, changing the homogeneous molecules into heterogeneous chains, we are able to obtain a range of systems, including nematic and smectic LCs, at their stable ordered states. The model can be extended to study the influence of nanoparticles or external field on the LC structure.
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Combining the recent Piskulich-Thompson approach [Z. A. Piskulich and W. H. Thompson, {it J. Chem. Phys.} {bf 152}, 011102 (2020)] with isomorph theory, from a single simulation, the structure of a single-component Lennard-Jones (LJ) system is obtained at an arbitrary state point in almost the whole liquid region of the temperature-density phase diagram. The LJ system exhibits two temperature range where the vant Hoffs assumption that energetic and entropic forces are temperature independent is valid. A method to evaluate the structure at an arbitrary state point along an isochore from the knowledge of structures at two temperatures on the isochore is also discussed. We argue that, in general, the structure of any hidden scale-invariant system obeying the vant Hoffs assumption in the whole range of temperatures can be determined in the whole liquid region of the phase diagram from only a single simulation.
We present in this paper a detailed analysis of the flexoelectric instability of a planar nematic layer in the presence of an alternating electric field (frequency $omega$), which leads to stripe patterns (flexodomains) in the plane of the layer. This equilibrium transition is governed by the free energy of the nematic which describes the elasticity with respects to the orientational degrees of freedom supplemented by an electric part. Surprisingly the limit $omega to 0$ is highly singular. In distinct contrast to the dc-case, where the patterns are stationary and time-independent, they appear at finite, small $omega$ periodically in time as sudden bursts. Flexodomains are in competition with the intensively studied electro-hydrodynamic instability in nematics, which presents a non-equilibrium dissipative transition. It will be demonstrated that $omega$ is a very convenient control parameter to tune between flexodomains and convection patterns, which are clearly distinguished by the orientation of their stripes.
In recent years lines along which structure and dynamics are invariant to a good approximation, so-called isomorphs, have been identified in the thermodynamic phase diagrams of several model liquids and solids. This paper reports computer simulations of the transverse and longitudinal collective dynamics at different length scales along an isomorph of the Lennard-Jones system. Our findings are compared to corresponding results along an isotherm and an isochore. Confirming the theoretical prediction, the reduced-unit dynamics of the transverse momentum density is invariant to a good approximation along the isomorph at all time and length scales. Likewise, the wave-vector dependent shear-stress autocorrelation function is found to be isomorph invariant. A similar invariance is not seen along the isotherm or the isochore. Using a spatially non-local hydrodynamic model for the transverse momentum-density time-autocorrelation function, the macroscopic shear viscosity and its wave dependence are determined, demonstrating that the shear viscosity is isomorph invariant on all length scales studied. This analysis implies the existence of a novel length scale which characterizes each isomorph. The transverse sound-wave velocity, the Maxwell relaxation time, and the rigidity shear modulus are also isomorph invariant. In contrast, the reduced-unit dynamics of the mass density is not invariant at length scales longer than the inter-particle distance. By fitting to a generalized hydrodynamic model, we extract values for the wave-vector-dependent thermal diffusion coefficient, sound attenuation coefficient, and adiabatic sound velocity. The isomorph variation of these quantities in reduced units at long length scales can be eliminated by scaling with $gamma$, a fundamental quantity in the isomorph theory framework, an empirical observation that remains to be explained theoretically.
Longitudinal and transverse sound velocities of Lennard-Jones systems are calculated at the liquid-solid coexistence using the additivity principle. The results are shown to agree well with the ``exact values obtained from their relations to excess energy and pressure. Some consequences, in particular, in the context of the Lindemanns melting rule and Stokes-Einstein relation between the self-diffusion and viscosity coefficients are discussed. Comparison with available experimental data on the sound velocities of solid argon at melting conditions is provided.
Ultracold systems offer an unprecedented level of control of interactions between atoms. An important challenge is to achieve a similar level of control of the interactions between photons. Towards this goal, we propose a realization of a novel Lennard-Jones-like potential between photons coupled to the Rydberg states via electromagnetically induced transparency (EIT). This potential is achieved by tuning Rydberg states to a F{o}rster resonance with other Rydberg states. We consider few-body problems in 1D and 2D geometries and show the existence of self-bound clusters (molecules) of photons. We demonstrate that for a few-body problem, the multi-body interactions have a significant impact on the geometry of the molecular ground state. This leads to phenomena without counterparts in conventional systems: For example, three photons in 2D preferentially arrange themselves in a line-configuration rather than in an equilateral-triangle configuration. Our result opens a new avenue for studies of many-body phenomena with strongly interacting photons.
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