A new approach to search for materials with auxetic properties by modifying structures of solids at molecular level has been proposed. The analysis elastic the face-centered cubic Yukawa crystals very narrow nanochannels in [001] crystallographic direction using Monte Carlo simulations isothermal–isobaric ensemble done. An influence size on value Poisson's ratio main directions studied. It shown that insertion system causes a decrease from –0.15(2) –0.29(3). That means an amplification...

Preliminary results on the influence of periodically distributed cylindrical nanoinclusions introduced into f.c.c. hard sphere crystal its elastic properties and Poisson's ratio are presented. The oriented along [001]‐direction filled with spheres diameter different from forming matrix crystal. Monte Carlo simulations show that symmetry changes cubic to tetragonal one. In case when inside inclusion smaller than crystal, qualitatively similar observed earlier in Yukawa is, introduction...

Monte Carlo simulations in the isobaric–isothermal ensemble with variable shape of periodic box were used to investigate Poisson's ratios hard‐core repulsive Yukawa crystals periodically distributed nanoslits. Each nanoslit, oriented perpendicularly crystallographic direction [010], was filled by a monolayer hard spheres. It is shown that presence nanoslits leads negative ratio, as low –0.57(2), [100][001]‐direction. This not auxetic pure crystal, i.e. shows positive equal 0.43(1).

Two-dimensional (2D) crystalline structures based on a honeycomb geometry are analyzed by computer simulations using the Monte Carlo method in isobaric-isothermal ensemble. The considered crystals formed hard discs (HD) of two different diameters which very close to each other. In contrast equidiameter HD, crystallize into homogeneous solid is elastically isotropic due its six-fold symmetry axis, systems studied this work contain artificial patterns and can be either or anisotropic. It turns...

The Poisson's ratio of the fcc hard-core repulsive Yukawa crystals with size polydispersity was determined by Monte Carlo simulations in isothermal-isobaric ensemble. effect on auxetic properties has been studied. It found that an increase particle causes a decrease directions as well appearance negative formerly non-auxetic directions. A measure auxeticity introduced to estimate quantitatively enhancement polydisperse crystals. proposed can be applied appraise any studied system.

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

A new effect of selective enhancement auxeticity through the changes nanochannels' diameter in Yukawa systems is reported. Elastic properties model crystals with narrow nanochannels [001] crystallographic direction have been studied by Monte Carlo simulations isobaric–isothermal ensemble. It has found that choice allows one to decrease Poissons ratio value system two selected directions. The Poisson's those directions can be changed a wide range, e.g. from −0.061(9) −0.625(44) -direction,...

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

Abstract Monte Carlo simulations of mono‐ and polydisperse two‐dimensional crystals are reported. The particles in the studied system, interacting through hard‐core repulsive Yukawa potential, form a solid phase hexagonal lattice. elastic properties crystalline systems determined NpT ensemble with variable shape periodic box. Effects Debye screening length ( ), contact value potential size polydispersity on system studied. show that strongly influences especially shear modulus. It is also...

Abstract In recent years, the investigation of auxetic materials is receiving more and attention due to their wide range applications which follow enhancing indentation resistance, toughness, shear other advantages such materials. This work reports results studies models metamaterials with nanoinclusions. Yukawa crystals nanoinclusions in form nanochannels (NCs) [001] crystallographic direction, filled by hard spheres, were simulated Monte Carlo a pressures determine elastic properties....

Simple structural modifications can essentially affect the auxetic properties of materials, see article no. 1800611 by Jakub W. Narojczyk et al. The Poisson's ratio (PR) a f.c.c. crystal unit-diameter hard spheres (green in cover image) with periodic array nanochannels filled another diameter (red) has been studied at high pressure. resulting nanocomposite shows tetragonal symmetry. When ‘inclusion’ are 9% greater than ‘matrix’ spheres, minimum value PR, ≈–0.87, is significantly lower its...

Monte Carlo simulations of mono-- and polydisperse two--dimensional crystals are reported. The particles in the studied system, interacting through hard--core repulsive Yukawa potential, form a solid phase hexagonal lattice. elastic properties crystalline systems determined $NpT$ ensemble with variable shape periodic box. Effects Debye screening length ($κ^{-1}$), contact value potential ($ε$), size polydispersity on system studied. show that strongly influences especially shear modulus. It...