Mechanism for Negative Poisson Ratios over the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>α</mml:mi></mml:math>-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>β</mml:mi></mml:math>Transition of Cristobalite,<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi>SiO</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>: A Molecular-Dynamics S

Kimizuka, Hajime; Kaburaki, Hideo; Kogure, Yoshiaki

doi:10.1103/physrevlett.84.5548

Cited by 146 publications

(87 citation statements)

References 19 publications

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“…Due to the instability of β-cristobalite, its elastic properties have only been derived through the use of computational modelling. A molecular dynamics study showed that the high temperature phase of cristobalite remains averagely auxetic 22 . Structurally α-cristobalite is analogous to a tetragon formed by four smaller tetrahedra which are able to rotate and dilate.…”

Section: α-Cristobalitementioning

confidence: 99%

A systematic typology for negative Poisson's ratio materials and the prediction of complete auxeticity in pure silica zeolite JST

Siddorn

Coudert

Evans

et al. 2015

Phys. Chem. Chem. Phys.

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A systematic typology for negative Poisson's ratio materials and the prediction of complete auxeticity in pure silica zeolite JST. Physical Chemistry Chemical Physics, 17 (27). pp. 17927-17933. ISSN 1463-9076 Available from: http://eprints.uwe.ac.uk/29078We recommend you cite the published version. The publisher's URL is: http://dx.doi.org/10.1039/C5CP01168JRefereed: Yes (no note) Disclaimer UWE has obtained warranties from all depositors as to their title in the material deposited and as to their right to deposit such material. UWE makes no representation or warranties of commercial utility, title, or fitness for a particular purpose or any other warranty, express or implied in respect of any material deposited. UWE makes no representation that the use of the materials will not infringe any patent, copyright, trademark or other property or proprietary rights. UWE accepts no liability for any infringement of intellectual property rights in any material deposited but will remove such material from public view pending investigation in the event of an allegation of any such infringement. Single crystals can commonly have negative Poisson's ratio in a few directions; however more generalised auxeticity is rarer. We propose a typology to distinguish auxetic materials. We characterise numerous single crystals and demonstrate that partial auxeticity occurs for around 37%. We find average auxeticity to be limited to α-cristobalite and no example of complete auxeticity. We simulate two hundreds pure silica zeolites with empirical potentials and quantum chemistry methods, and for the first time identify complete auxeticity in a zeolite network, JST. IntroductionThe main aims of this study are to develop a convenient typology of auxetic behaviour in materials, to characterise the Poisson's ratio of pure silica zeolites and to identify structures with exceptional values. The Poisson's ratio for anisotropic materials is complex, a function of three variables, two defining a longitudinal direction, one a transverse one. The adjective "auxetic", describing the existence of a negative Poisson's ratio (NPR) 1 , is too limited to describe fundamentally different situations, from single crystals where NPR occurs for very specific directions, to isotropic foams where NPR is present for all directions. Therefore an important objective has been to develop a finergrained typology of auxetic properties to discriminate between the relatively common existence of negative Poisson's ratios in a few narrowly defined combinations of longitudinal and transverse directions and the rarer, more comprehensive cases. BackgroundOf the four elastic constants used to describe isotropic materials, Young's modulus (E), bulk modulus (K), shear modulus (G) and Poisson's ratio (ν), it is the Poisson's ratio that has historically been the least explored 2,3 . It can be associated with some interesting and unusual properties, particularly when in a range not normally encountered. Defined as the ratio of transverse to longitudinal strain in a structure or ma...

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Section: α-Cristobalitementioning

confidence: 99%

A systematic typology for negative Poisson's ratio materials and the prediction of complete auxeticity in pure silica zeolite JST

Siddorn

Coudert

Evans

et al. 2015

Phys. Chem. Chem. Phys.

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“…W hen stretched, materials with a negative Poisson's ratio become thicker in the direction perpendicular to the original force [1][2][3][4][5][6][7][8][9][10][11] . Materials exhibiting such counterintuitive behaviour, known as auxetics, are of great interest not only because they are rare, but also because of their numerous potential applications in various fields, such as the design of fasteners 12 , prostheses 13 , pizeocomposites 14,15 , filters 16 , earphones 17 , seat cushions 18,19 and superior dampers 20 .…”

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confidence: 99%

Negative Poisson’s ratios in metal nanoplates

et al. 2014

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The Poisson's ratio is a fundamental measure of the elastic-deformation behaviour of materials. Although negative Poisson's ratios are theoretically possible, they were believed to be rare in nature. In particular, while some studies have focused on finding or producing materials with a negative Poisson's ratio in bulk form, there has been no such study for nanoscale materials. Here we provide numerical and theoretical evidence that negative Poisson's ratios are found in several nanoscale metal plates under finite strains. Furthermore, under the same conditions of crystal orientation and loading direction, materials with a positive Poisson's ratio in bulk form can display a negative Poisson's ratio when the material's thickness approaches the nanometer scale. We show that this behaviour originates from a unique surface effect that induces a finite compressive stress inside the nanoplates, and from a phase transformation that causes the Poisson's ratio to depend strongly on the amount of stretch.

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“…The obtained C i j values for the two methods are given in Table 1. We have included the experimental values 1) for comparison, as well as the results of previous MD calculations 3,27) using the interatomic potential proposed by Tsuneyuki et al…”

Section: Pressure Dependence Of the Elastic Constants Andmentioning

confidence: 99%

“…[1][2][3][4] The marked characteristic of the auxetic materials is to exhibit a negative Poisson's ratio, and thus they can undergo lateral contraction under longitudinal compression and also lateral expansion under longitudinal tension [ Fig. 1(a)].…”

Section: Introductionmentioning

confidence: 99%

High-Pressure Elasticity and Auxetic Property of α-Cristobalite

2005

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The structural variations with pressure in -cristobalite, a low-density polymorph of SiO 2 , have been studied through first-principles calculations using the projector-augmented-wave (PAW) method, with particular emphasis on its elastic and auxetic properties. We provide theoretical ab initio results for the volume compressibility and a complete set of independent elastic constants of cristobalite under hydrostatic pressures up to 10-15 GPa. Our calculated structural and elastic properties under pressure are in good agreement with the experimental data. In addition, the corresponding results of the molecular-dynamics simulations with the interatomic potential are also presented for comparison. The dominant mechanism of compression is the reduction of the Si-O-Si angles within the -cristobalite structure, whereas the SiO 4 tetrahedron undergoes only a slight distortion. -Cristobalite is more compressible than other SiO 2 polymorphs as shown by their volume compressibilities, because of its characteristic framework structure similar to re-entrant honeycombs. With increasing pressure, the rotational motions of the rigid SiO 4 tetrahedra play an important role in the compressive behavior of cristobalite. The present simulations confirm that the system undergoes transformation from auxetic to non-auxetic under hydrostatic pressure of ca. 2 GPa, while retaining strong elastic anisotropy.

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Mechanism for Negative Poisson Ratios over theα-βTransition of Cristobalite,SiO2: A Molecular-Dynamics S

Cited by 146 publications

References 19 publications

A systematic typology for negative Poisson's ratio materials and the prediction of complete auxeticity in pure silica zeolite JST

A systematic typology for negative Poisson's ratio materials and the prediction of complete auxeticity in pure silica zeolite JST

Negative Poisson’s ratios in metal nanoplates

High-Pressure Elasticity and Auxetic Property of α-Cristobalite

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Mechanism for Negative Poisson Ratios over theα-βTransition of Cristobalite,SiO2: A Molecular-Dynamics S

Cited by 146 publications

References 19 publications

A systematic typology for negative Poisson's ratio materials and the prediction of complete auxeticity in pure silica zeolite JST

A systematic typology for negative Poisson's ratio materials and the prediction of complete auxeticity in pure silica zeolite JST

Negative Poisson’s ratios in metal nanoplates

High-Pressure Elasticity and Auxetic Property of &alpha;-Cristobalite

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High-Pressure Elasticity and Auxetic Property of α-Cristobalite