Auxetic properties of polycrystals

Jasiukiewicz, Cz.; Paszkiewicz, T.; Wołski, S.

doi:10.1002/pssb.200945443

Cited by 5 publications

(5 citation statements)

References 19 publications

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“…Depending on whether negative values of Poisson ratio are observed in all crystallographic directions, in some of them or in none of them, one can define all materials as auxetics, partial auxetics and nonauxetics, respectively (). Recently, increasing interest in studies of auxetic materials and models was observed .…”

Section: Introductionmentioning

confidence: 99%

Partially auxetic behavior in fcc crystals of hard-core repulsive Yukawa particles

Tretiakov

Wojciechowski

2013

Phys. Status Solidi B

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Elastic properties of the face centered cubic (fcc) phase of particles, interacting through hard‐core repulsive Yukawa potential are determined by Monte Carlo (MC) simulations in the NpT ensemble with variable shape of the periodic box. The effects of the Debye screening length (κ−1) and contact value of the potential (ε) on elastic properties of the system are studied. It is found that the hard‐core repulsive Yukawa system is partially auxetic. The Poisson's ratio of the system in the false[110false]false[1true1‾0false] direction is negative and decreases with increasing the Debye screening length. Poisson's ratio of the hard‐core repulsive Yukawa system measured in the false[110false]false[1true1‾0false] directions at βε=39 versus density.

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Section: Introductionmentioning

confidence: 99%

Partially auxetic behavior in fcc crystals of hard-core repulsive Yukawa particles

Tretiakov

Wojciechowski

2013

Phys. Status Solidi B

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“…1 For two dimensional materials, the boundaries and sizes of the individual grains are not only more easily investigable, but the line-like quality of the grain boundaries grants variation in mechanical properties unable to be found in traditional three dimensional materials. 2 Of the many kinds of 2D materials currently drawing attention, hexagonal boron nitride has become the topic of research due to its structural equivalency to graphene and outstanding properties. Hexagonal boron nitride is an atomic lattice structure similar to graphene, but composed of the heterogeneous atoms boron and nitrogen in place of carbon.…”

Section: Introductionmentioning

confidence: 99%

Grain-size dependence of mechanical properties in polycrystalline boron-nitride: a computational study

Becton

Wang

2015

Phys. Chem. Chem. Phys.

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The field of research in polycrystalline hexagonal boron nitride (PBN) has been enjoying extraordinary growth recently, in no small part due to the rise of graphene and the technical advancement of mass production in polycrystalline 2D materials. However, as the grain size in 2D materials can strongly affect their materials properties and the performance of their relevant devices, it is highly desirable to investigate this effect in PBN and leverage the service capability of PBN-based devices. Here we employ molecular dynamics simulations to explore the effects of grain size in PBN on its mechanical properties such as Young's modulus, yield strength, toughness, and energy release rate as well as its failure mechanism. By visualizing and comparing the tensile failure of PBN with and without a predefined crack we have shown that the grain size of PBN is positively correlated with its elastic modulus, yield strength and toughness. Through inclusion of a crack with varying length in the PBN samples, the energy release rate is determined for each grain size of PBN and it is concluded that the energy release rate increases with an increase in the average grain size of PBN. These findings offer useful insights into utilizing PBN for mechanical design in composite materials, abrasion resistance, and electronic devices etc.

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“…[53][54][55] These grain boundaries weaken the tensile properties of the resulting structure and decrease the electrical and thermal conductivity of graphene, in general making polygraphene less desirable as a source material. 6,[56][57][58][59][60] However, a crumpled structure is not meant for tensile stress, and the nature of its bends and folds are already an impediment to the transport of electricity and heat. In this case, perhaps a cheaper alternative to the production of crumpled pristine graphene structures is the production of crumpled polygraphene structures.…”

Section: Introductionmentioning

confidence: 99%

On the crumpling of polycrystalline graphene by molecular dynamics simulation

Becton

Zhang

Wang

2015

Phys. Chem. Chem. Phys.

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Crumpled graphene has been emerging as a valuable component for a variety of devices such as supercapacitors or hydrophobic surface coatings due to its geometric change from a 2D to a 3D structure accompanied by changes in its material behavior. As polycrystalline graphene is easier to produce than pristine graphene, certain applications of crumpled graphene may be better suited to polycrystalline graphene. However, the crumpling process of polycrystalline graphene and its relevant mechanical properties remain poorly understood. Here we employ molecular dynamics simulation to model the behavior of polycrystalline graphene under geometric confinement and elucidate the effect of grain size, with a focus on the mechanical stabilizing mechanisms and properties of the crumpled structures in comparison to pristine graphene. Simulation results show that crumpled polycrystalline graphene exhibits a slight negative correlation between average grain size and measured hardness, bulk modulus, and crumpled size. As the size of the grains decreases, the crumpled structures formed are harder and smaller, with sharp edges caused by the grain boundaries. These findings provide evidence towards the feasibility of using polycrystalline graphene in place of pristine graphene in applications involving crumpled carbon structures.

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Auxetic properties of polycrystals

Cited by 5 publications

References 19 publications

Partially auxetic behavior in fcc crystals of hard-core repulsive Yukawa particles

Partially auxetic behavior in fcc crystals of hard-core repulsive Yukawa particles

Grain-size dependence of mechanical properties in polycrystalline boron-nitride: a computational study

On the crumpling of polycrystalline graphene by molecular dynamics simulation

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