Modelling of the mechanical and mass transport properties of auxetic molecular sieves: an idealised inorganic (zeolitic) host–guest system

Alderson, Andrew; Davies, Philip; Evans, K.; Alderson, K. L.; Grima, Joseph N.

doi:10.1080/08927020500378055

Cited by 36 publications

(29 citation statements)

References 30 publications

(44 reference statements)

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“…A stress-induced auxetic-to-non-auxetic transition has also been predicted in other molecular-level systems [7,23] and has been observed experimentally in larger-scale auxetic materials [21,22]. It is interesting to note that at σ 2 ~ 2 GPa the (2,8)-reflexyne structure still has a re-entrant hexagon geometry ( figure 5), usually associated with auxetic behaviour, despite now exhibiting positive Poisson's ratio behaviour.…”

Section: Discussionmentioning

confidence: 92%

“…Strain-dependent, non-linear mechancial properties have been measured and/or predicted in other auxetic materials, including polymeric and metallic foams [19,20], microporous polymers [21,22], and at the molecular level in the α-cristobalite and α-quartz polymorphs of crystalline silica [23], and the all-silica zeolite MFI (ZSM5 -Si 96 O 192 ) [7]. (table 1) have been transformed into in-plane isotropic mechanical properties at these stress levels.…”

Section: Discussionmentioning

confidence: 99%

“…In a companion paper we report on a similar study for an inorganic auxetic molecular sieve system [7].…”

Section: Introductionmentioning

confidence: 99%

“…This initial work was subsequently extended to auxetic 3D foam filters [5] and to an auxetic zeolite molecular sieve system [5,6,7]. The enhancements arise due to the increased pore size and/or shape change associated with the high volume change for an auxetic material placed under uniaxial load.…”

Section: Introductionmentioning

confidence: 99%

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Modelling of the mechanical and mass transport properties of auxetic molecular sieves: an idealised organic (polymeric honeycomb) host–guest system

Alderson¹,

Davies²,

Williams³

et al. 2005

Molecular Simulation

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Section: Discussionmentioning

confidence: 92%

Section: Discussionmentioning

confidence: 99%

“…In a companion paper we report on a similar study for an inorganic auxetic molecular sieve system [7].…”

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Modelling of the mechanical and mass transport properties of auxetic molecular sieves: an idealised organic (polymeric honeycomb) host–guest system

Alderson¹,

Davies²,

Williams³

et al. 2005

Molecular Simulation

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“…Man-made and natural auxetic materials and structures exist from the molecular [6,8] to the micro- [7,9] and macroscopic levels [4,10]. The development of molecular auxetics [5,[11][12][13] is expected to lead to high modulus auxetic materials as well as having potential in sensor, molecular sieve and separation technologies [14,15].…”

Section: Introductionmentioning

confidence: 99%

Deformation mechanisms leading to auxetic behaviour in the α-cristobalite and α-quartz structures of both silica and germania

Alderson¹,

Evans²

2008

J. Phys.: Condens. Matter

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Analytical expressions have been developed in which the elastic behaviour of the α-quartz and α-cristobalite molecular tetrahedral frameworks of both silica and germania are modelled by rotation, or dilation or concurrent rotation and dilation of the tetrahedra. Rotation and dilation of the tetrahedra both produce negative Poisson’s ratios (auxetic behaviour), whereas both positive and negative values are possible when these mechanisms act concurrently. Concurrent rotation and dilation of the tetrahedra reproduces with remarkable accuracy both the positive and negative ν31 Poisson’s ratios observed for silica α-quartz and α-cristobalite, respectively, when loaded in the x3 direction. A parametric fit of the concurrent model to the germania α-quartz experimental ν31 Poisson’s ratio is used to predict ν31 for germania α-cristobalite, for which no experimental value exists. This is predicted to be +0.007. Strain-dependent ν31 trends, due to concurrent rotation and dilation in the silica structures, are in broad agreement with those predicted from pair-potential calculations, although significant differences do occur in the absolute values. With the model of concurrent dilation and rotation of the tetrahedra we predict that an alternative uniaxial stress (σ3)-induced phase exists for both silica, α-quartz and α-cristobalite, and germania, α-cristobalite, having geometries in reasonable agreement with β-quartz and idealized β-cristobalite, respectively.

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Three Decades of Auxetics Research − Materials with Negative Poisson's Ratio: A Review

2016

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Material properties can be tailored through modification of their geometry or architecture. With this concept, a lot of smart materials, metamaterials, and smart structures have been developed. Auxetic materials and structures are a novel class of materials which exhibit an interesting property of negative Poisson's ratio. By virtue of the auxetic behavior, mechanical properties such as fracture toughness, indentation resistance, etc., can be improved. In order to exploit the interesting properties of auxetic materials, several potential applications of auxetic materials have been explored in medical, sports, automobile, defense, etc. Design and modeling of novel auxetic materials and structures is still on the way. Here, the article focuses upon the different aspects of auxetic materials and structures. A comprehensive updated review of auxetic materials, their types and properties, and applications has been presented. This paper also discusses the design and modeling approaches of auxetic structures.

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Modelling of the mechanical and mass transport properties of auxetic molecular sieves: an idealised inorganic (zeolitic) host–guest system

Cited by 36 publications

References 30 publications

Modelling of the mechanical and mass transport properties of auxetic molecular sieves: an idealised organic (polymeric honeycomb) host–guest system

Modelling of the mechanical and mass transport properties of auxetic molecular sieves: an idealised organic (polymeric honeycomb) host–guest system

Deformation mechanisms leading to auxetic behaviour in the α-cristobalite and α-quartz structures of both silica and germania

Three Decades of Auxetics Research − Materials with Negative Poisson's Ratio: A Review

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