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We present first-principles calculations of elastic properties of multilayered two-dimensional crystals such as graphene, h-BN and 2H-MoS2 which shows that their Poisson's ratios along out-of-plane direction are negative, near zero and…
Architected 2D lattice materials are appealing for shape-shifting applications due to the tunable sign of Poisson's ratio. It is commonly believed that the positive and negative Poisson's ratios lead to anticlastic and synclastic curvatures…
Elastic properties and internal states of isotropic sphere packings are studied by numerical simulations. Several numerical protocols to assemble dense configurations are compared. One, which imitates experiments with lubricated contacts,…
The fcc Lennard-Jones crystal is used as a generic model of solid to study the elastic properties of thin films as a function of thickness and temperature. The Monte Carlo algorithm is used to calculate the average deformations along the…
Lattice structures have tailorable mechanical properties which allows them to exhibit superior mechanical properties (per unit weight) beyond what is achievable through natural materials. In this paper, quasi-static and dynamic behavior of…
Despite the fast development of computational materials modelling, theoretical description of macroscopic elastic properties of textured polycrystalline aggregates starting from basic principles remains a challenging task. In this…
We explore the nonlinear variational modelling of two-dimensional (2D) crystal plasticity based on strain energies which are invariant under the full symmetry group of 2D lattices. We use a natural parameterization of strain space via the…
The structural, electronic, optical and vibrational properties of LiN$_3$ under high pressure have been studied using plane wave pseudopotentials within the generalized gradient approximation for the exchange and correlation functional. The…
Long range order and symmetry in heterogeneous materials architected on crystal lattices lead to elastic and inelastic anisotropies and thus limit mechanical functionalities in particular crystallographic directions. Here, we present a…
Elastic properties play an important role in neutron stars and white dwarfs. They are crucial for modeling stellar oscillations and different processes in magnetars and in degenerate stars which enter compact binary systems. Using…
The impact of confinement on self-assembly of particles interacting with short-range attraction and long-range repulsion (SALR) potential is studied for thermodynamic states corresponding to local ordering of clusters or layers in the bulk.…
Pentamode metamaterials approximate tailorable artificial liquids. Recently, microscopic versions of these intricate three-dimensional structures have been fabricated, but direct experimental characterization has not been possible yet.…
In this paper we investigate numerically an instance of the problem of G-closure for two-dimensional periodic metamaterials. Specifically, we consider composites with isotropic homogenized elasticity tensor, obtained as a mixture of two…
We consider the problem of constructing dense lattices of R^n with a given automorphism group. We exhibit a family of such lattices of density at least cn/2^n, which matches, up to a multiplicative constant, the best known density of a…
This paper introduces a micro-lattice based metamaterial for low frequency wide-band vibration attenuation, that is enabled by engineering the metamaterial's building blocks to induce local resonance bandgaps for elastic waves in all…
Multiscale periodic metamaterials have been designed for numerous applications, such as impact absorption, acoustic cloaking, photonic band gaps, and mechanical logic gates. This prior work has focused on optimizing mesoscale structure for…
This contribution investigates the extension of the microplane formulation to the description of transversely isotropic materials such as shale rock, foams, unidirectional composites, and ceramics. Two possible approaches are considered: 1)…
We use first principles calculations to investigate the lattice properties of group-IV monochalcogenides. These include static dielectric permittivity, elastic and piezoelectric tensors. For the monolayer, it is found that the static…
Unlike conventional two-dimensional (2D) semiconductor superlattices, moir\'{e} patterns in 2D materials are flexible and their electronic, magnetic, optical, and mechanical properties depend on their topography. Within a…
We present a scheme to categorize the structure of different layered phosphorene allotropes by mapping their non-planar atomic structure onto a two-color 2D triangular tiling pattern. In the buckled structure of a phosphorene monolayer, we…