相关论文: Mechanical Properties of Diamond Schwarzites: From…
Triply Periodic Minimal Surfaces (TPMS) possess locally minimized surface area under the constraint of periodic boundary conditions. Different families of surfaces were obtained with different topologies satisfying such conditions. Examples…
Schwarzites are 3D crystalline porous materials exhibiting the shape of Triply Periodic Minimal Surfaces (TPMS). They possess negative Gaussian curvature, created by the presence of rings with more than six sp2-hybridized carbon atoms.…
Schwarzites are crystalline, 3D porous structures with stable negative curvature formed of sp2-hybridized carbon atoms. These structures present topologies with tunable porous size and shape and unusual mechanical properties. In this work,…
We investigated through fully atomistic molecular dynamics simulations, the mechanical behavior (compressive and tensile) and energy absorption properties of two families (primitive (P688 and P8bal) and gyroid (G688 and G8bal)) of…
Since graphene was synthesized the interest for building new 2D and 3D structures based on the carbon allotropes has been growing every day. One of these 3D structures is know as carbon schwarzites. Schwarzites consist of carbon…
We carried out fully atomistic reactive molecular dynamics simulations to study the mechanical behavior of six newly proposed hybrid schwarzite-based structures (interlocked petal-schwarzites). Schwarzites are carbon crystalline…
Schwarzites are porous (spongy-like) carbon allotropes with negative Gaussian curvatures. They were proposed by Mackay and Terrones inspired by the works of the German mathematician Hermann Schwarz on Triply-Periodic Minimal Surfaces…
The 3D porous carbon-based structures called Schwarzites have been recently a subject of renewed interest due to the possibility of being synthesized in the near future. These structures exhibit negatively curvature topologies with tuneable…
Nature-occurring structures exhibiting unique topological features such as complex and gradient porosity has been the basis to create new materials and/or structures. Most studies have been focused on complex periodic porous structures but…
Diamondynes are a recently synthesized three-dimensional carbon allotrope, with interlocked and movable sublattices that introduce deformation modes not present in standard architected materials. Here, we report the first multiscale…
We use ab initio density functional calculations to study the stability, elastic properties and electronic structure of sp2 carbon minimal surfaces with negative Gaussian curvature, called schwarzites. We focus on two systems with cubic…
In this work, We combined fully atomistic molecular dynamics and finite elements simulations with mechanical testings to investigate the mechanical behavior of atomic and 3D-printed models of pentadiamond. Pentadiamond is a recently…
Schwarzites are porous structures that present negative Gaussian curvatures. Although initially proposed for carbon, in principle, schwarzites of other elements are possible. In this work, we have carried out a detailed investigation of the…
Carbon atoms can form structures in one, two, and three dimensions due to its unique chemical versatility. In terms of thermal conductivity, carbon polymorphs cover a wide range from very low values with amorphous carbon to very high values…
The topologically engineered complex Schwarzites architecture has been used to build novel and unique structural components with a high specific strength. The mechanical properties of these building blocks can be further tuned, reinforcing…
We investigate the structural, vibrational, and mechanical properties of jammed packings of deformable particles with shape degrees of freedom in three dimensions (3D). Each 3D deformable particle is modeled as a surface-triangulated…
Shear stresses are the driving forces for the creation of both point and extended defects in crystals subjected to high pressures and temperatures. Recently, we observed anomalous elastic materials response in shock-compressed silicon and…
Nearly two-dimensional diamond, or diamane, is coveted as ultrathin $sp^3$-carbon film with unique mechanics and electro-optics. The very thinness ($~h$) makes it possible for the surface chemistry, e.g. adsorbed atoms, to shift the bulk…
In the present paper, we investigate the structural, thermodynamic, dynamic, elastic, and electronic properties of doped 2D diamond C$_4$X$_2$ (X = B or N) nanosheets in both AA$'$A$''$ and ABC stacking configurations, by first-principles…
We compute the absorption efficiency (Qabs) of forsterite using the discrete dipole approximation (DDA) in order to identify and describe what characteristics of crystal grain shape and size are important to the shape, peak location, and…