Auxetics and FEA: Modern Materials Driven by Modern Simulation Methods.

Auxetics are materials, metamaterials or structures which expand laterally in at least one cross-sectional plane when uniaxially stretched, that is, have a negative Poisson's ratio. Over these last decades, these systems have been studied through various methods, including simulations through finite elements analysis (FEA). This simulation tool is playing an increasingly significant role in the study of materials and structures as a result of the availability of more advanced and user-friendly commercially available software and higher computational power at more reachable costs. This review shows how, in the last three decades, FEA proved to be an essential key tool for studying auxetics, their properties, potential uses and applications. It focuses on the use of FEA in recent years for the design and optimisation of auxetic systems, for the simulation of how they behave when subjected to uniaxial stretching or compression, typically with a focus on identifying the deformation mechanism which leads to auxetic behaviour, and/or, for the simulation of their characteristics and behaviour under different circumstances such as impacts.

A DFT-Based Quantitative and Geometric Analysis of the Effect of Pressure on Boron Arsenate.

Boron arsenate, BAsO4, is a ß-cristobalite-like crystal which has been reported to exhibit the rather unusual property of negative linear compressibility behaviour at elevated pressures, that is expanding rather than shrinking in a linear dimension when subjected to pressure. This work proposes a 'geometry-deformation mechanism'-based mathematical model to aid the discernment of the manner how this anomalous pressure behaviour is achieved. The model makes use of data obtained from DFT simulations over an extended range of pressures, including extreme pressure conditions, and rigorously explains the macroscopic properties of this material in terms of the nanoscale deformations. More specifically, through this model, it was possible to decipher the different contributions to the deformation mechanism and compressibility properties of BAsO4. Moreover, for the first time, it was shown that a rule related to the sum of angles of tetrahedrally coordinated atoms is so robust that it applies at the extreme pressures studied here.

Monomer conversion and hardness of novel dental cements based on ethyl cyanoacrylate.

OBJECTIVES: The aim of this work was to study the setting of two novel dental cements: (i) a 'hybrid' cement, incorporating an ethyl cyanoacrylate into a glass-ionomer cement (ECGIC) formulation and (ii) an ethyl cyanoacrylate/hydroxyapatite composite cement (ECHC). The mechanical role of the cyanoacrylate and its curing within the cements have been discussed. METHODS: The setting of the cements was characterised using Vickers indentation hardness and near-infrared (near-IR) spectroscopy. RESULTS: The cyanoacrylate component of ECGIC was 100% cured approximately 10min after the initial cement mixing. The ECGIC continued to increase in hardness after the cyanoacrylate component was fully cured. This proved that the fully polymerised network of cyanoacrylate did not prevent the acid-base reactions of the GIC components from continuing. The Vickers hardness number of ECGIC at 18 weeks was approximately 105. The curing of the cyanoacrylate within ECHC was much slower and was still not complete (98%) 18 weeks after the initial cement mixing. The hardness of the ECHC was shown to be correlated with the extent of cyanoacrylate cure. The Vickers hardness number of ECHC at 18 weeks was approximately 21. The primary reasons for the overall lower hardness of ECHC in comparison to ECGIC were the lower powder:liquid ratio and the softer filler type. SIGNIFICANCE: Careful consideration is needed when incorporating cyanoacrylates into dental cements, as speed of cure and hardness are particularly important.

On the dynamics and control of mechanical properties of hierarchical rotating rigid unit auxetics.

In this work, we investigate the deformation mechanism of auxetic hierarchical rotating square systems through a dynamics approach. We show how their deformation behaviour, hence their mechanical properties and final configuration for a given applied load, can be manipulated solely by altering the resistance to rotational motion of the hinges within the system. This provides enhanced tunability without necessarily changing the geometry of the system, a phenomenon which is not typically observed in other non-hierarchical unimode auxetic systems. This gives this hierarchical system increased versatility and tunability thus making it more amenable to be employed in practical application which may range from smart filtration to smart dressings.

Networked calix[4]arene polymers with unusual mechanical properties.

Polymeric networks built from calix[4]arenes that form a three dimensional folded structure have been predicted to exhibit negative Poisson's ratios (auxetic), an unusual property which makes them superior to conventional materials in many practical applications.

Negative Poisson's ratios in siliceous zeolite MFI-silicalite.

Brillouin scattering measurements of the single-crystal elastic properties of the as-made zeolite silicalite mid R:(C(3)H(7))(4)NFmid R:(4)[Si(96)O(192)]-MFI provides the first experimental evidence for on-axis negative Poisson's ratios (auxeticity) in a synthetic zeolite structure. MFI laterally contracts when compressed and laterally expands when stretched along x(1) and x(2) directions in the (001) plane (nu(12)=-0.061, nu(21)=-0.051). The aggregate Poisson's ratio of MFI, although positive, has an anomalously low value nu=0.175(3) compared to other silicate materials. These results suggest that the template-free MFI-silicalite [Si(96)O(192)] might have potential applications as tunable sieve where molecular discriminating characteristics are adjusted by application of stress along specific axes.

Molecular origin of auxetic behavior in tetrahedral framework silicates.

Recent analytical models for the Poisson's ratios (nu(ij)) of tetrahedral frameworks are applied to alpha-cristobalite and alpha-quartz for the first time. Rotation and dilation of the SiO4 tetrahedral subunits are considered. Each mechanism leads to negative nu(31) values, whereas negative and positive values are possible when they act concurrently. The concurrent model is in excellent agreement with experiment and explains the dichotomy between negative and positive nu(31) values in alpha-cristobalite and alpha-quartz, respectively. The predicted strain-dependent trends confirm those from molecular modeling.

RESPONSES TO SELECTION AMONG LIFE-HISTORY TRAITS IN A NONMIGRATORY POPULATION OF MILKWEED BUGS (ONCOPELTUS FASCIATUS).

Genetic parameters were assessed in the nonmigratory Puerto Rico population of the milkweed bug, Oncopeltus fasciatus, and compared with parameters estimated in a migratory population from Iowa (Palmer and Dingle, 1986). Offspring-parent regression analysis provided initial estimates of heritabilities and phenotypic and genetic correlations among wing length, head-capsule width, female age at first reproduction, fecundity for the first and second five days of reproduction by females, and clutch size for the first and second five days of reproduction by females. Replicated bidirectional selection for wing length was then imposed, with a direct response to selection revealing substantial additive genetic variance for this trait, as was also the case with the Iowa population. Assays for correlated response to selection yielded two further similarities to Iowa: a positive response in head-capsule width and no consistent response in age at first reproduction. In contrast to the results with Iowa bugs, neither regression analysis nor selection revealed statistically significant genetic correlations between fecundity measures and those of other traits. In both populations the potential exists for body-size characters to evolve together independently of age at first reproduction; but in the nonmigratory Puerto Rico bugs, fecundity does not contribute to a life-history syndrome involving genetic correlations among these traits.