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Graphite and diamond are two well-known allotropes of carbon with distinct physical properties due to different atomic connectivity. Graphite has a layered structure in which the honeycomb carbon sheets can easily glide, while atoms in…

Materials Science · Physics 2025-06-06 Sheng-cai Zhu , Xiao-zhi Yan , Jin Liu , Artem R. Oganov , Qiang Zhu

The pressure-induced structural transition from graphite to diamond is investigated by semi-empirical molecular dynamics simulation. The result shows that the graphite-diamond transition is a cooperative process with large fluctuation. We…

Materials Science · Physics 2016-08-31 Akihito Kikuchi , Shinji Tsuneyuki

We explore the structural evolution of highly oriented pyrolytic graphite (HOPG) under detonation-induced shock conditions using in-situ synchrotron X-ray diffraction in the ns time scale. We observe the formation of hexagonal diamond…

Diamond to graphite transformation is a complex kinetically driven process which has been studied under various conditions for its fundamental importance. We report the transformation of diamond embedded ceramic matrix composites during…

We have performed ab-initio molecular dynamics simulations to elucidate the mechanism of the phase transition at high pressure from hexagonal graphite (HG) to hexagonal diamond (HD) or to cubic diamond (CD). The transition from HG to HD is…

Materials Science · Physics 2021-09-01 Ranjan Mittal , Mayanak Kumar Gupta , Samrath Lal Chaplot

Graphite and diamond have comparable free energies, yet forming diamond from graphite is far from easy. In the absence of a catalyst, pressures that are significantly higher than the equilibrium coexistence pressures are required to induce…

Materials Science · Physics 2015-05-20 Rustam Z. Khaliullin , Hagai Eshet , Thomas D. Kuhne , Jorg Behler , Michele Parrinello

The conversion of graphene into diamond is a new way for preparing ultrathin diamond film without pressure. Herein, we investigated the transformation mechanism of surface-hydrogenated bilayer graphene (SHBG) into surface-hydrogenated…

Materials Science · Physics 2022-05-10 Changcheng Ke , Dong Fan , Chengke Chen , Difeng Guo , Xiao Li , Meiyan Jiang , Xiaojun Hu

The energetic evaluations of graphite-to-diamond transition by electron irradiation are performed. The heat conduction problem is solved for the diamond synthesis when a pulse-periodic source of energy is located within a graphite cylinder;…

Materials Science · Physics 2014-09-03 E. M. Sarkisyan , K. B. Oganesyan , N. Sh. Izmailian , E. A. Ayryan

A body-centered tetragonal carbon (bct-Carbon) allotrope has been predicted to be a transparent carbon polymorph obtained under pressure. The structural transition pathways from graphite to diamond, M-Carbon, and bct-Carbon are simulated…

Materials Science · Physics 2010-11-02 Xiang-Feng Zhou , Xiao Dong , Guang-Rui Qian , Lixin Zhang , Yonjun Tian , Hui-Tian Wang

We unveil the diamondization mechanism of few-layer graphene compressed in the presence of water, providing robust evidence for the pressure-induced formation of 2D diamond. High-pressure Raman spectroscopy provides evidence of a phase…

The formation of technologically valuable nanocarbon structures under extreme conditions, such as those produced during high-explosive detonations, remains poorly understood but holds significant potential for the development of controlled…

Materials Science · Physics 2026-03-20 Xiaoli Yan , Millicent A. Firestone , Murat Keceli , Santanu Chaudhuri , Eliu Huerta

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…

Materials Science · Physics 2020-10-27 Sergey V. Erohin , Qiyuan Ruan , Pavel B. Sorokin , Boris I. Yakobson

Extreme pressures and temperatures create conditions that allow even hard and brittle materials to deform plastically. Despite extensive research, the upper limits of flow strength, the resistance to plastic flow, remain uncertain, and the…

The direct graphite-to-diamond transformation mechanism has been a subject of intense study and remains debated concerning the initial stages of the conversion, the intermediate phases, and their transformation pathways. Here, we…

Due to the absence of matching carbon atoms at honeycomb centers with carbon atoms in adjacent graphene sheets, theorists predicted that a sliding process is needed to form AA, AB, or ABC stacking when directly converting graphite into sp3…

Artificial diamond is created by exposing graphite to pressures on the order of 10\,GPa and temperatures of about 2000\,K. Here, we provide evidence that the pressure exerted by the tip of an atomic force microscope onto graphene over the…

Through a systematic structural search we found an allotrope of carbon with Cmmm symmetry which we predict to be more stable than graphite for pressures above 10 GPa. This material, which we refer to as Z-carbon, is formed by pure sp3 bonds…

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…

Materials Science · Physics 2009-11-11 I. I. Oleynik , S. V. Zybin , M. L. Elert , C. T. White

A simple model for the "diamond graphitization" type of phase transition is proposed, leading to a good agreement with the experimental data. The phase transition temperature dependence on the external pressure is found. A new phenomenon in…

Materials Science · Physics 2012-08-09 V. N. Strekalov

In our previously published work, we have reported colossal magnetoresistance, Andreev oscillations, ferromagnetism, and granular superconductivity in oxygen-implanted carbon fibers, graphite foils, and highly oriented pyrolytic graphite.…

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