On the Mechanical Properties of Graphyne, Graphdiyne, and Other Poly(Phenylacetylene) Networks

This is the author accepted manuscript. The final version is available from Wiley via the DOI in this recordWe simulate, analyse and compare the mechanical properties of a number of molecular sheet-like systems based on fully substituted, penta-substituted, tetra-substituted and tri-substituted poly(phenylacetylene) using static force-field based methods. The networks are modeled in a 3D environment with and without inter-layer interactions in analogy to graphite and graphene respectively. It is shown that by varying the type of substitution and the length of the acetylene chain, one may control the mechanical properties of such systems. In particular, it is shown that poly(phenylacetylene) systems can be specifically designed to exhibit negative Poisson's ratio, and that the stiffness can be controlled in an independent manner from the Poisson's ratios. This is significant as it highlights the fact that such systems can be tailored to exhibit a particular set of mechanical properties.The research work disclosed in this publication is funded by the ENDEAVOUR Scholarship Scheme (Malta). The scholarship may be part-financed by the European Union − European Social Fund (ESF) under Operational Programme II − Cohesion Policy 2014–2020, “Investing in human capital to create more opportunities and promote the well being of society.” JNG acknowledges the support of the University of Malta research grant

On the Compressibility Properties of the Wine-Rack-Like Carbon Allotropes and Related Poly(phenylacetylene) Systems

This is the author accepted manuscript. The final version is available from Wiley via the DOI in this record.Poly(phenylacetylene) sheets that mimic the geometry of a wine-rack-like structure have been predicted to exhibit negative Poisson's ratios off-axis. However, their potential to exhibit negative linear compressibility (NLC) has remained largely unexplored. In this work, the compressibility and other mechanical properties of wine-rack-like poly(phenylacetylene) networks with 1,2,4,5 tetra-substituted phenyls as well as their equivalent with allene or cyclobutadiene centres are simulated to assess their ability to exhibit negative linear compressibility on-axis and off-axis. It is shown that some of these systems can indeed exhibit negative linear compressibility whilst others exhibit a near-zero compressibility. The results are compared to the compressibility properties of other poly(phenylacetylene) networks reported in literature as well as with those predicted from the analytical model for an idealised wine-rack structure deforming through hinging. Results suggest that these mechanical properties are arising from a wine-rack-like mechanism, and there is a good agreement with the theoretical model, especially for systems with longer acetylene chains whose geometry is closer to that of the idealised wine-rack.University of MaltaENDEAVOUR Scholarship Scheme (Malta

Different Deformation Mechanisms Leading to Auxetic Behavior Exhibited by Missing Rib Square Grid Structures

This is the author accepted manuscript. The final version is available from Wiley via the DOI in this recordAn extensive investigation is carried out on the missing rib square grid structure using finite element simulations. This showed that, in the cases considered in this study, the type of deformation is primarily dependent on the ratio of the thickness of different ribs with the structure behaving like an anti-tetrachiral at particular ratios. The analysis also showed that the ability of the structure to deform predominantly through the bending of the ligament allows it to achieve much more negative values of the Poisson's ratio than previously reported. Confirmation of the numerical results is obtained through experimental methods involving the 3D printing of representative structures which are subsequently subjected to compression.European Regional Development Fun

Multi-step self-guided pathways for shape-changing metamaterials

Multi-step pathways, constituted of a sequence of reconfigurations, are central to a wide variety of natural and man-made systems. Such pathways autonomously execute in self-guided processes such as protein folding and self-assembly, but require external control in macroscopic mechanical systems, provided by, e.g., actuators in robotics or manual folding in origami. Here we introduce shape-changing mechanical metamaterials, that exhibit self-guided multi-step pathways in response to global uniform compression. Their design combines strongly nonlinear mechanical elements with a multimodal architecture that allows for a sequence of topological reconfigurations, i.e., modifications of the topology caused by the formation of internal self-contacts. We realized such metamaterials by digital manufacturing, and show that the pathway and final configuration can be controlled by rational design of the nonlinear mechanical elements. We furthermore demonstrate that self-contacts suppress pathway errors. Finally, we demonstrate how hierarchical architectures allow to extend the number of distinct reconfiguration steps. Our work establishes general principles for designing mechanical pathways, opening new avenues for self-folding media, pluripotent materials, and pliable devices in, e.g., stretchable electronics and soft robotics.Comment: 16 pages, 3 main figures, 10 extended data figures. See https://youtu.be/8m1QfkMFL0I for an explanatory vide

Mechanical Metamaterials with Negative Compressibility Transitions

When tensioned, ordinary materials expand along the direction of the applied force. Here, we explore network concepts to design metamaterials exhibiting negative compressibility transitions, during which a material undergoes contraction when tensioned (or expansion when pressured). Continuous contraction of a material in the same direction of an applied tension, and in response to this tension, is inherently unstable. The conceptually similar effect we demonstrate can be achieved, however, through destabilisations of (meta)stable equilibria of the constituents. These destabilisations give rise to a stress-induced solid-solid phase transition associated with a twisted hysteresis curve for the stress-strain relationship. The strain-driven counterpart of negative compressibility transitions is a force amplification phenomenon, where an increase in deformation induces a discontinuous increase in response force. We suggest that the proposed materials could be useful for the design of actuators, force amplifiers, micro-mechanical controls, and protective devices.Comment: Supplementary information available at http://www.nature.com/nmat/journal/v11/n7/abs/nmat3331.htm

Metal [100] Nanowires with Negative Poisson???s Ratio

When materials are under stretching, occurrence of lateral contraction of materials is commonly observed. This is because Poisson???s ratio, the quantity describes the relationship between a lateral strain and applied strain, is positive for nearly all materials. There are some reported structures and materials having negative Poisson???s ratio. However, most of them are at macroscale, and reentrant structures and rigid rotating units are the main mechanisms for their negative Poisson???s ratio behavior. Here, with numerical and theoretical evidence, we show that metal [100] nanowires with asymmetric cross-sections such as rectangle or ellipse can exhibit negative Poisson???s ratio behavior. Furthermore, the negative Poisson???s ratio behavior can be further improved by introducing a hole inside the asymmetric nanowires. We show that the surface effect inducing the asymmetric stresses inside the nanowires is a main origin of the superior property.ope

Functional Synchronization of Biological Rhythms in a Tritrophic System

In a tritrophic system formed by a plant, an herbivore and a natural enemy, each component has its own biological rhythm. However, the rhythm correlations among the three levels and the underlying mechanisms in any tritrophic system are largely unknown. Here, we report that the rhythms exhibited bidirectional correlations in a model tritrophic system involving a lima bean, a pea leafminer and a parasitoid. From the bottom-up perspective, the rhythm was initiated from herbivore feeding, which triggered the rhythms of volatile emissions; then the rhythmic pattern of parasitoid activities was affected, and these rhythms were synchronized by a light switch signal. Increased volatile concentration can enhance the intensity of parasitoid locomotion and oviposition only under light. From the top-down perspective, naive and oviposition-experienced parasitoids were able to utilize the different volatile rhythm information from the damaged plant to locate host leafminers respectively. Our results indicated that the three interacting organisms in this system can achieve rhythmic functional synchronization under a natural light-dark photoperiod, but not under constant light or darkness. These findings provide new insight into the rhythm synchronization of three key players that contribute to the utilization of light and chemical signals, and our results may be used as potential approaches for manipulating natural enemies

Auxetic foam for snowsport safety devices

Skiing and snowboarding are popular snow-sports with inherent risk of injury. There is potential to reduce the prevalence of injuries by improving and implementing snow-sport safety devices with the application of advanced materials. This paper investigates the application of auxetic foam to snow-sport safety devices. Composite pads - consisting of foam covered with a semi-rigid shell - were investigated as a simple model of body armour and a large 70 x 355 x 355 mm auxetic foam sample was fabricated as an example crash barrier. The thermo-mechanical conversion process was applied to convert open-cell polyurethane foam to auxetic foam. The composite pad with auxetic foam absorbed around three times more energy than the conventional equivalent under quasi-static compression with a concentrated load, indicating potential for body armour applications. An adapted thermo-mechanical process - utilising through-thickness rods to control in-plane compression - was applied to fabricate the large sample with relatively consistent properties throughout, indicating further potential for fabrication of a full size auxetic crash barrier. Further work will create full size prototypes of snow-sport safety devices with comparative testing against current products

Coincident molecular auxeticity and negative order parameter in a liquid crystal elastomer

Auxetic materials have negative Poisson's ratios and so expand rather than contract in one or several direction(s) perpendicular to applied extensions. The auxetics community has long sought synthetic molecular auxetics - non-porous, inherently auxetic materials which are simple to fabricate and avoid porosity-related weakening. Here, we report, synthetic molecular auxeticity for a non-porous liquid crystal elastomer. For strains above ~0.8 applied perpendicular to the liquid crystal director, the liquid crystal elastomer becomes auxetic with the maximum negative Poisson's ratio measured to date being -0.74 ± 0.03 - larger than most values seen in naturally occurring molecular auxetics. The emergence of auxeticity coincides with the liquid crystal elastomer backbone adopting a negative order parameter, QB = -0.41 ± 0.01 - further implying negative liquid crystal ordering. The reported behaviours consistently agree with theoretical predictions from Warner and Terentjev liquid crystal elastomer theory. Our results open the door for the design of synthetic molecular auxetics

Modeling of negative Poisson’s ratio (auxetic) crystalline cellulose Iβ

Energy minimizations for unstretched and stretched cellulose models using an all-atom empirical force field (Molecular Mechanics) have been performed to investigate the mechanism for auxetic (negative Poisson’s ratio) response in crystalline cellulose Iβ from kraft cooked Norway spruce. An initial investigation to identify an appropriate force field led to a study of the structure and elastic constants from models employing the CVFF force field. Negative values of on-axis Poisson’s ratios nu31 and nu13 in the x1-x3 plane containing the chain direction (x3) were realized in energy minimizations employing a stress perpendicular to the hydrogen-bonded cellobiose sheets to simulate swelling in this direction due to the kraft cooking process. Energy minimizations of structural evolution due to stretching along the x3 chain direction of the ‘swollen’ (kraft cooked) model identified chain rotation about the chain axis combined with inextensible secondary bonds as the most likely mechanism for auxetic response