Semi-metallic Be5C2 monolayer global minimum with quasi-planar pentacoordinate carbons and negative Poisson's ratio.
ABSTRACT: Designing new materials with novel topological properties and reduced dimensionality is always desirable for material innovation. Here we report the design of a two-dimensional material, namely Be5C2 monolayer on the basis of density functional theory computations. In Be5C2 monolayer, each carbon atom binds with five beryllium atoms in almost the same plane, forming a quasi-planar pentacoordinate carbon moiety. Be5C2 monolayer appears to have good stability as revealed by its moderate cohesive energy, positive phonon modes and high melting point. It is the lowest-energy structure with the Be5C2 stoichiometry in two-dimensional space and therefore holds some promise to be realized experimentally. Be5C2 monolayer is a gapless semiconductor with a Dirac-like point in the band structure and also has an unusual negative Poisson's ratio. If synthesized, Be5C2 monolayer may find applications in electronics and mechanics.
Project description:Materials with a negative Poisson's ratio, also known as auxetic materials, exhibit unusual and counterintuitive mechanical behaviour-becoming fatter in cross-section when stretched. Such behaviour is mostly attributed to some special re-entrant or hinged geometric structures regardless of the chemical composition and electronic structure of a material. Here, using first-principles calculations, we report a class of auxetic single-layer two-dimensional materials, namely, the 1T-type monolayer crystals of groups 6-7 transition-metal dichalcogenides, MX2 (M=Mo, W, Tc, Re; X=S, Se, Te). These materials have a crystal structure distinct from all other known auxetic materials. They exhibit an intrinsic in-plane negative Poisson's ratio, which is dominated by electronic effects. We attribute the occurrence of such auxetic behaviour to the strong coupling between the chalcogen p orbitals and the intermetal t2g-bonding orbitals within the basic triangular pyramid structure unit. The unusual auxetic behaviour in combination with other remarkable properties of monolayer two-dimensional materials could lead to novel multi-functionalities.
Project description:Graphene-derived macroscopic assemblies feature hierarchical nano- and microstructures that provide numerous routes for surface and interfacial functionalization achieving unconventional material properties. We report that the microstructural hierarchy of pristine chemically modified graphene films, featuring wrinkles, delamination of close-packed laminates, their ordered and disordered stacks, renders remarkable negative Poisson's ratios ranging from -0.25 to -0.55. The mechanism proposed is validated by the experimental characterization and theoretical analysis. Based on the understanding of microstructural origins, pre-strech is applied to endow chemically modified graphene films with controlled negative Poisson's ratios. Modulating the wavy textures of the inter-connected network of close-packed laminates in the chemically modified graphene films also yields finely-tuned negative Poisson's ratios. These findings offer the key insights into rational design of films constructed from two-dimensional materials with negative Poisson's ratios and mechanomutable performance.
Project description:Young's modulus and Poisson's ratio of a porous polymeric construct (scaffold) quantitatively describe how it supports and transmits external stresses to its surroundings. While Young's modulus is always non-negative and highly tunable in magnitude, Poisson's ratio can, indeed, take on negative values despite the fact that it is non-negative for virtually every naturally occurring and artificial material. In some applications, a construct having a tunable negative Poisson's ratio (an auxetic construct) may be more suitable for supporting the external forces imposed upon it by its environment. Here, three-dimensional polyethylene glycol scaffolds with tunable negative Poisson's ratios are fabricated. Digital micromirror device projection printing (DMD-PP) is used to print single-layer constructs composed of cellular structures (pores) with special geometries, arrangements, and deformation mechanisms. The presence of the unit-cellular structures tunes the magnitude and polarity (positive or negative) of Poisson's ratio. Multilayer constructs are fabricated with DMD-PP by stacking the single-layer constructs with alternating layers of vertical connecting posts. The Poisson's ratios of the single- and multilayer constructs are determined from strain experiments, which show (1) that the Poisson's ratios of the constructs are accurately predicted by analytical deformation models and (2) that no slipping occurrs between layers in the multilayer constructs and the addition of new layers does not affect Poisson's ratio.
Project description:Nature has evolved with a recurring strategy to achieve unusual mechanical properties through coupling variable elastic moduli from a few GPa to below KPa within a single tissue. The ability to produce multi-material, three-dimensional (3D) micro-architectures with high fidelity incorporating dissimilar components has been a major challenge in man-made materials. Here we show multi-modulus metamaterials whose architectural element is comprised of encoded elasticity ranging from rigid to soft. We found that, in contrast to ordinary architected materials whose negative Poisson's ratio is dictated by their geometry, these type of metamaterials are capable of displaying Poisson's ratios from extreme negative to zero, independent of their 3D micro-architecture. The resulting low density metamaterials is capable of achieving functionally graded, distributed strain amplification capabilities within the metamaterial with uniform micro-architectures. Simultaneous tuning of Poisson's ratio and moduli within the 3D multi-materials could open up a broad array of material by design applications ranging from flexible armor, artificial muscles, to actuators and bio-mimetic materials.
Project description:Poisson's ratio describes the degree to which a material contracts (expands) transversally when axially strained. A material with a zero Poisson's ratio does not transversally deform in response to an axial strain (stretching). In tissue engineering applications, scaffolding having a zero Poisson's ratio (ZPR) may be more suitable for emulating the behavior of native tissues and accommodating and transmitting forces to the host tissue site during wound healing (or tissue regrowth). For example, scaffolding with a zero Poisson's ratio may be beneficial in the engineering of cartilage, ligament, corneal, and brain tissues, which are known to possess Poisson's ratios of nearly zero. Here, we report a 3D biomaterial constructed from polyethylene glycol (PEG) exhibiting in-plane Poisson's ratios of zero for large values of axial strain. We use digital micro-mirror device projection printing (DMD-PP) to create single- and double-layer scaffolds composed of semi re-entrant pores whose arrangement and deformation mechanisms contribute the zero Poisson's ratio. Strain experiments prove the zero Poisson's behavior of the scaffolds and that the addition of layers does not change the Poisson's ratio. Human mesenchymal stem cells (hMSCs) cultured on biomaterials with zero Poisson's ratio demonstrate the feasibility of utilizing these novel materials for biological applications which require little to no transverse deformations resulting from axial strains. Techniques used in this work allow Poisson's ratio to be both scale-independent and independent of the choice of strut material for strains in the elastic regime, and therefore ZPR behavior can be imparted to a variety of photocurable biomaterial.
Project description:We report that carbon honeycomb, a new three-dimension carbon allotrope, exhibits large negative Poisson's ratio, as large as -0.32, in tensile revealed via molecular dynamics simulations. The Poisson's ratio of carbon honeycomb is anisotropic, and sensitive to temperature. The carbon honeycomb has phase transformation from normal to auxetic by tensile, along both zigzag and armchair directions. The critical strain for the normal-auxetic transition along the cell-axis direction reduces with respect to an increase in temperature. Combined with high strength of 50 GPa, such a unique and adjustable negative Poisson ratio suggests broad engineering applications of carbon honeycomb.
Project description:While elastic modulus is tunable in tissue engineering scaffolds, it is substantially more challenging to tune the Poisson's ratio of scaffolds. In certain biological applications, scaffolds with a tunable Poisson's ratio may be more suitable for emulating the behavior of native tissue mechanics. Here, we design and fabricate a scaffold, which exhibits simultaneous negative and positive Poisson's ratio behavior. Custom-made digital micro-mirror device stereolithography was used to fabricate single- and multiple-layer scaffolds using polyethylene glycol-based biomaterial. These scaffolds are composed of pore structures having special geometries, and deformation mechanisms, which can be tuned to exhibit both negative Poisson's ratio (NPR) and positive Poisson's ratio (PPR) behavior in a side-to-side or top-to-bottom configuration. Strain measurement results demonstrate that analytical deformation models and simulations accurately predict the Poisson's ratios of both the NPR and PPR regions. This hybrid Poisson's ratio property can be imparted to any photocurable material, and potentially be applicable in a variety of biomedical applications.
Project description:Cells sense and respond to mechanical forces, regardless of whether the source is from a normal tissue matrix, an adjacent cell or a synthetic substrate. In recent years, cell response to surface rigidity has been extensively studied by modulating the elastic modulus of poly(ethylene glycol) (PEG)-based hydrogels. In the context of biomaterials, Poisson's ratio, another fundamental material property parameter has not been explored, primarily because of challenges involved in tuning the Poisson's ratio in biological scaffolds. Two-photon polymerization is used to fabricate suspended web structures that exhibit positive and negative Poisson's ratio (NPR), based on analytical models. NPR webs demonstrate biaxial expansion/compression behavior, as one or multiple cells apply local forces and move the structures. Unusual cell division on NPR structures is also demonstrated. This methodology can be used to tune the Poisson's ratio of several photocurable biomaterials and could have potential implications in the field of mechanobiology.
Project description:Ligaments and tendons undergo volume loss when stretched along the primary fiber axis, which is evident by the large, strain-dependent Poisson's ratios measured during quasi-static tensile tests. Continuum constitutive models that have been used to describe ligament material behavior generally assume incompressibility, which does not reflect the volumetric material behavior seen experimentally. We developed a strain energy equation that describes large, strain dependent Poisson's ratios and nonlinear, transversely isotropic behavior using a novel method to numerically enforce the desired volumetric behavior. The Cauchy stress and spatial elasticity tensors for this strain energy equation were derived and implemented in the FEBio finite element software (www.febio.org). As part of this objective, we derived the Cauchy stress and spatial elasticity tensors for a compressible transversely isotropic material, which to our knowledge have not appeared previously in the literature. Elastic simulations demonstrated that the model predicted the nonlinear, upwardly concave uniaxial stress-strain behavior while also predicting a strain-dependent Poisson's ratio. Biphasic simulations of stress relaxation predicted a large outward fluid flux and substantial relaxation of the peak stress. Thus, the results of this study demonstrate that the viscoelastic behavior of ligaments and tendons can be predicted by modeling fluid movement when combined with a large Poisson's ratio. Further, the constitutive framework provides the means for accurate simulations of ligament volumetric material behavior without the need to resort to micromechanical or homogenization methods, thus facilitating its use in large scale, whole joint models.
Project description:The extracellular matrix (ECM) is a fibrillar protein-based network, the physical and chemical properties of which can influence a multitude of cellular processes. Despite having an important role in cell and tissue signaling, a complete chemo-mechanical characterization of ECM proteins such as fibronectin (FN) is lacking. In this study, we engineered monodisperse FN nanofibers using a surface-initiated assembly technique in order to provide new insight into the elastic behavior of this material over large deformations. FN nanofibers were patterned on surfaces in a pre-stressed state and when released from the surface underwent rapid contraction. We found that the FN nanofibers underwent 3.3-fold and 9-fold changes in length and width, respectively, and that the nanofiber volume was conserved. Volume was also conserved following uniaxial extension of the FN nanofibers of ~2-fold relative to the patterned state. This data suggests that the FN networks we engineered formed an incompressible material with a Poisson's ratio of ~0.5. While the Poisson's ratio of cells and other biological materials are widely estimated as 0.5, our experimental results demonstrate that for FN networks this is a reasonable approximation.