Auxeticity Tuning by Nanolayer Inclusion Ordering in Hard Sphere Crystals.

Designing a particular change in a system structure to achieve the desired elastic properties of materials for a given task is challenging. Recent studies of purely geometrical atomic models have shown that structural modifications on a molecular level can lead to interesting and desirable elastic properties. Still, the result of such changes is usually difficult to predict.

Hardening of fcc hard-sphere crystals by introducing nanochannels: Auxetic aspects.

Tailoring the materials for a given task by modifying their elastic properties is attractive to material scientists. However, recent studies of purely geometrical atomic models with structural modifications showed that designing a particular change to achieve the desired elastic properties is complex. This work concerns the impact of nanochannel inclusions in fcc hard sphere crystal on its elastic properties, especially auxetic ones.

Removing Auxetic Properties in f.c.c. Hard Sphere Crystals by Orthogonal Nanochannels with Hard Spheres of Another Diameter.

Negative Poisson's ratio materials (called auxetics) reshape our centuries-long understanding of the elastic properties of materials. Their vast set of potential applications drives us to search for auxetic properties in real systems and to create new materials with those properties. One of the ways to achieve the latter is to modify the elastic properties of existing materials.

Extremely Non-Auxetic Behavior of a Typical Auxetic Microstructure Due to Its Material Properties.

The re-entrant honeycomb microstructure is one of the most famous, typical examples of an auxetic structure. The re-entrant geometries also include other members as, among others, the star re-entrant geometries with various symmetries. In this paper, we focus on one of them, having a 6-fold symmetry axis.

Cancellation of Auxetic Properties in F.C.C. Hard Sphere Crystals by Hybrid Layer-Channel Nanoinclusions Filled by Hard Spheres of Another Diameter.

The elastic properties of f.c.c.

Poisson's Ratio of the f.c.c. Hard Sphere Crystals with Periodically Stacked (001)-Nanolayers of Hard Spheres of Another Diameter.

The results of studies on the influence of periodically stacked nanolayer inclusions, introduced into the face-centered cubic (f.c.c.

High Partial Auxeticity Induced by Nanochannels in [111]-Direction in a Simple Model with Yukawa Interactions.

Computer simulations using Monte Carlo method in the isobaric-isothermal ensemble were used to investigate the impact of nanoinclusions in the form of very narrow channels in the [ 111 ] -direction on elastic properties of crystals, whose particles interact via Yukawa potential. The studies were performed for several selected values of Debye screening length ( ( κ σ ) - 1 ). It has been observed that introduction of the nanoinclusions into the system reduces the negative value of Poisson's ratio towards [ 110 ] [ 1 1 ¯ 0 ] , maintaining practically constant values of Poisson's ratio in the directions [ 100 ] and [ 111 ] .

Pressure-Volume Work for Metastable Liquid and Solid at Zero Pressure.

Unlike with gases, for liquids and solids the pressure of a system can be not only positive, but also negative, or even zero. Upon isobaric heat exchange (heating or cooling) at = 0, the volume work () should be zero, assuming the general validity of traditional equality. This means that at zero pressure, a special process can be realized; a macroscopic change of volume achieved by isobaric heating/cooling without any work done by the system on its surroundings or by the surroundings on the system.

Computational Modelling of Structures with Non-Intuitive Behaviour.

This paper presents a finite-element analysis of honeycomb and re-entrant honeycomb structures made of a two-phase composite material which is optimized with respect to selected parameters. It is shown that some distributions of each phase in the composite material result in the counter-intuitive mechanical behaviour of the structures. In particular, negative values of effective Poisson's ratio, i.

Auxeticity of Yukawa Systems with Nanolayers in the (111) Crystallographic Plane.

Elastic properties of model crystalline systems, in which the particles interact via the hard potential (infinite when any particles overlap and zero otherwise) and the hard-core repulsive Yukawa interaction, were determined by Monte Carlo simulations. The influence of structural modifications, in the form of periodic nanolayers being perpendicular to the crystallographic axis [111], on auxetic properties of the crystal was investigated. It has been shown that the hard sphere nanolayers introduced into Yukawa crystals allow one to control the elastic properties of the system.

Auxeticity enhancement due to size polydispersity in fcc crystals of hard-core repulsive Yukawa particles.

The Poisson's ratio of the fcc hard-core repulsive Yukawa crystals with size polydispersity was determined by Monte Carlo simulations in the isothermal-isobaric ensemble. The effect of size polydispersity on the auxetic properties of Yukawa crystals has been studied. It has been found that an increase of particle size polydispersity causes a decrease of the Poisson's ratio in auxetic directions as well as appearance of a negative Poisson's ratio in formerly non-auxetic directions.

Tailoring graphene to achieve negative Poisson's ratio properties.

Graphene can be made auxetic through the introduction of vacancy defects. This results in the thinnest negative Poisson's ratio material at ambient conditions known so far, an effect achieved via a nanoscale de-wrinkling mechanism that mimics the behavior at the macroscale exhibited by a crumpled sheet of paper when stretched.

Elasticity of two-dimensional crystals of polydisperse hard disks near close packing: surprising behavior of the Poisson's ratio.

The equation of state, elastic constants, and Poisson's ratio of a crystalline two-dimensional polydisperse hard disk system were determined in the close packing limit. Monte Carlo simulations in the NpT ensemble with variable shape of the periodic box reveal that the pressure and elastic constants grow with increasing polydispersity. The equation of state and the bulk modulus are well described by the free volume approximation.

Nonlinear dielectric relaxation in the isotropic phase and mesophases of cholesteryl oleyl carbonate.

The nonlinear dielectric spectra of chiral crystal cholesteryl oleyl carbonate (COC) were recorded in frequency range of 1-100 MHz in the presence of the strong static electric field E(0) = 1 x 10(7) V/m. The measurements were performed within the temperature range of about 23 K in the isotropic, the blue phase, and the chiral nematic phase known also as the cholesteric phase. In the nonlinear dielectric relaxation spectra two absorption bands, related to molecular rotations (orientational band) and intermolecular interactions (chemical band), have been observed.

Elastic properties of soft sphere crystal from Monte Carlo simulations.

Elastic properties of faced centered cubic (fcc) crystals composed of soft spheres, interacting through potentials of the form u(r) ~ r(-n), have been investigated by Monte Carlo (MC) simulations. It is shown that both the softness parameter (n(-1)) and temperature strongly influence the elastic properties of the studied system. The simulations show explicitly that when T > 0 the elastic constants of the hard sphere crystal can be obtained by taking the limit n --> infinity of soft spheres.

Poisson's ratio of the fcc hard sphere crystal at high densities.

Elastic constants and the Poisson ratio of the fcc hard-sphere crystalline phases, free of defects and with vacancies, are determined by two Monte Carlo methods: (i) the analysis of the box fluctuations in the constant pressure ensemble with variable box shape (N-P-T) and (ii) by the free-energy differentiation with respect to deformation in the fixed box ensemble (N-V-T). Very good agreement is observed for the extrapolated to the infinitely large system limit results of both the methods. The coefficients of the leading singularities of the elastic constants near close packing are estimated; they are well described by the free volume approximation.