Related papers: Carbon Schwarzites Behavior Under Ballistic Impact…
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,…
Schwarzites are porous crystalline structures with Gaussian negative curvature. In this work, we investigated the mechanical behavior and energy absorption properties of two carbon-based diamond schwarzites (D688 and D8bal). We carried out…
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 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…
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…
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…
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…
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…
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…
The superior mechanical properties and low density of carbon nanostructures make them promising ballistic protection materials, stimulating investigations on their high-strain-rate behavior. Recent experiments and simulations revealed…
Results based on {\em ab initio} density functional calculations indicate a general graphitization tendency in ultrathin slabs of cubic diamond, boron nitride, and many other cubic structures including rocksalt. Whereas such compounds often…
The widely used crystal structures for both heptazine-based and triazine-based two-dimensional (2D) graphitic carbon nitride (g-C$_3$N$_4$) are the flat P-6m2 configurations. However, the experimentally synthesized 2D g-C$_3$N$_4$ possess…
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…
Understanding the reactivity of carbon surfaces is crucial for the development of advanced functional materials. In this study, we systematically investigate the reactivity of graphene surfaces with the Stone-Wales (SW) defect using Density…
Energetic and geometric aspects of the permeation of low-Z atoms through graphene sheets are investigated. Energy barriers and deformations are calculated via density functional theory for the permeation of H, He, Li and Be atoms at several…
A set of sp2 amorphous carbons involving natural mineral shungite carbon and antraxolite as well as two synthetic carbon blacks were investigated by using neutron powder diffraction and inelastic neutron scattering at low temperature. NDP…
Martensitic transformations, viewed as continuous transformations between triply periodic minimal surfaces (TPMS), as originally proposed by Hyde and Andersson [Z. Kristallogr. 174, 225 (1986)], is extended to include paths between the…
Experiments with multiwalled carbon nanotubes and graphite as targets in a source of negative ions with cesium sputtering have shown that nanotubes with nanometer radii and micrometer length can be compared with micrometer size graphite…