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Pentadiamond is a recently proposed new carbon allotrope consisting of a network of pentagonal rings where both sp$^2$ and sp$^3$ hybridization are present. In this work we investigated the mechanical and electronic properties, as well as,…

Recently, a new two-dimensional carbon allotrope called pentagraphene (PG) was proposed. PG exhibits mechanical and electronic interesting properties, including typical band gap values of semiconducting materials. PG has a Cairo-tiling-like…

Mesoscale and Nanoscale Physics · Physics 2017-03-13 J. M. de Sousa , A. L. Aguiar , E. C. Girao , Alexandre F. Fonseca , A. G. Souza Filho , Douglas S. Galvao

A quasi-2D semiconductor carbon allotrope called tetrahexcarbon, also named tetragraphene, was recently proposed featuring an unusual structure combining squared and hexagonal rings. Mechanical and electronic properties of tetragraphene…

Recently, a new 2D carbon allotrope structure, named phagraphene (PG), was proposed. PG has a densely array of penta-hexa-hepta-graphene carbon rings. PG was shown to present low and anisotropic thermal conductivity and it is believed that…

Carbon-based materials have attracted great attention due to their exceptional structural diversity and wide-ranging applications. Recently, a new two-dimensional carbon allotrope, named pentagraphene (PG), was proposed. In this study, we…

Recently, a new carbon 3D carbon allotrope named pentadiamond was proposed. Pentadiamond is composed of carbon atoms in mixed sp$^2$ and sp$^3$-like hybridization. In this work, we have carried out a detailed investigation of the electronic…

Materials Science · Physics 2021-02-03 Raphael M. Tromer , Levy C. Felix , Cristiano F. Woellner , Douglas S. Galvao

Studies aimed at designing new allotropic forms of carbon have received much attention. Recently, a new 2D graphene-like allotrope named Pentahexoctite was theoretically proposed. Pentahexoctite has a metallic signature, and its structure…

Materials Science · Physics 2022-09-14 W. H. S. Brandão , A. L. Aguiar , L. A. Ribeiro Júnior , D. S. Galvão , J. M. De Sousa

3D-printed digital materials whose mechanical behavior travels between those from thermoplastic to rubbery polymers have become increasingly important. However, their mechanical functionalities have not been fully exploited due to intrinsic…

Soft Condensed Matter · Physics 2026-03-18 Seunghwan Lee , Gisoo Lee , Seounghee Yun , Sumin Lee , Jeonyoon Lee , Hansohl Cho

Strength, ductility, and failure properties of metals are tailored by plastic deformation routes. Predicting these properties requires modeling of the structural dynamics and stress evolution taking place on several length scales. Progress…

In a recent Letter, Fujii et. al. [Phys. Rev. Lett. 125, 016001] predicted a new carbon allotrope, pentadiamond, with remarkable mechanical properties: elastic moduli comparable or larger than diamond, and negative Poisson's ratio $\mu$ =…

Materials Science · Physics 2020-07-21 Santanu Saha , Wolfgang von der Linden , Lilia Boeri

The precise measurement of mechanical stress at the nanoscale is of fundamental and technological importance. In principle, all six independent variables of the stress tensor, which describe the direction and magnitude of…

The mechanical properties of a solid, which relate its deformation to external applied forces, are key factors in enabling or disabling the use of an otherwise optimal material in any application, strongly influencing also its service…

Materials Science · Physics 2025-08-28 Margherita Marsili , Elisa Damiani , Davide Dalle Ave , Gabriele Losi , M. Clelia Righi

Anthracyne (2DDA). 2DDA consists of chains of Dewar-anthracenes connected by acetylenic linkages. DFT-based simulations show that 2DDA is thermally stable and exhibits no imaginary phonon modes, confirming its dynamic stability. 2DDA is…

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 present a monolithic mechanical metamaterial comprising a periodic arrangement of snapping units with tunable tensile behavior. Under tension, the metamaterial undergoes a large extension caused by sequential snap-through instabilities,…

Soft Condensed Matter · Physics 2016-12-20 Ahmad Rafsanjani , Abdolhamid Akbarzadeh , Damiano Pasini

Penta-graphene is the name given to a novel puckered monolayer of carbon atoms tightly packed into an inerratic pentagonal network, theoretically, which exhibits excellent thermal and mechanical stability and can be rolled into…

Materials Science · Physics 2017-09-26 Mingwei Chen , Haifei Zhan , Yinbo Zhu , Hengan Wu , Yuantong Gu

Structural and mechanical properties of amorphous and nanocomposite carbon are investigated using tight-binding molecular dynamics and Monte Carlo simulations. In the case of amorphous carbon, we show that the variation of sp^3 fraction as…

Materials Science · Physics 2015-06-25 Maria G. Fyta , Christos Mathioudakis , Georgios Kopidakis , Pantelis C. Kelires

Stress and strain are important factors in determining the mechanical, electronic, and optical properties of materials, relating to each other by the material's elasticity or stiffness. Both are represented by second rank field tensors…

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…

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…

Mesoscale and Nanoscale Physics · Physics 2018-01-17 David L. Azevedo , Rafael A. Bizao , Douglas S. Galvao
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