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Diamond bulk irradiated with a free-electron laser pulse of 6100 eV photon energy, 5 fs duration, at the $\sim 19-25$ eV/atom absorbed doses, is studied theoretically on its way to warm dense matter state. Simulations with our hybrid code…
he manifestation of intra-molecular strains in covalent systems is widely known to accelerate chemical reactions and open alternative reaction paths. This process is moderately understood for isolated molecules and uni-molecular processes.…
We examine the competition between adhesive and bending energies for few-layered graphene samples placed on rigid, microscale-corrugated substrates. Using atomic force microscopy, we show that the graphene undergoes a sharp "snap-through"…
A detailed understanding of the material response to rapid compression is challenging and demanding. For instance, the element gold under dynamic compression exhibits complex phase transformations where there exist some large discrepancies…
Hexagonal diamond has been predicted computationally to display extraordinary physical properties including a hardness that exceeds cubic diamond. However, a recent electron microscopy study has shown that so-called hexagonal diamond…
Graphite is the thermodynamically stable form of carbon, and yet is remarkably difficult to synthesise. A key step in graphite formation is the removal of defects at high temperature ($>$2300~$^{\circ}$C) that allow graphenic fragments to…
We present tight-binding molecular dynamics simulations of the structural modifications that result from the "thermal spike" that occurs during the passage of a heavy fast ion through a thin diamond or amorphous carbon layer, and the…
The experimental observation of elusive post-diamond carbon phases at extreme pressures remains a major challenge in high-pressure science. Using metadynamics with coordination-number-based collective variables and SNAP machine-learned…
Discovering innovative methods to understand phase transitions, modify phase diagrams, and uncover novel synthesis routes poses significant and far-reaching challenges. In this study, we demonstrate the formation of nanodiamond-like sp3…
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…
Two-dimensional (2D) diamond has aroused tremendous interest in nanoelectronics and optoelectronics, owing to its superior properties and flexible characteristics compared to bulk diamond. Despite significant efforts, great challenges lie…
Friction force microscopy (FFM) with silicon tips on epitaxial graphene supported by SiC(0001) previously revealed a sharp increase in friction at a threshold normal force, linked to the intermittent rehybridization of graphene and the…
The endeavor to selectively fabricate a cubic diamond is challenging due to the formation of competing phases such as its hexagonal polymorph or others possessing similar free energy. The necessity to achieve this is of paramount importance…
In graphene growth, island symmetry can become lower than the intrinsic symmetries of both graphene and the substrate. First-principles calculations and Monte Carlo modeling explain the shapes observed in our experiments and earlier studies…
A magnetic-field-driven transition from metallic- to semiconducting-type behavior in the basal-plane resistance takes place in highly oriented pyrolytic graphite at a field $H_c \sim 1~$kOe applied along the hexagonal c-axis. The analysis…
The propagation of a shock wave in solids can stress them to ultra-high pressures of millions of atmospheres. Understanding the behavior of matter at these extreme pressures is essential to describe a wide range of physical phenomena,…
In this article, we present a description of the behaviour of shock-compressed solid materials following the Geometrical Shock Dynamics (GSD) theory. GSD has been successfully applied to various gas dynamics problems, and here we have…
The search for new ultra strong materials has been a very active research area. With relation to metals, a successful way to improve their strength is by the creation of a gradient of nanograins (GNG) inside the material. Recently, R.…
Although progress with twisted graphene nano-devices is boosting the superconductivity that is the consequence of their Moir\'e flat electronic bands, the immense choice for future development is an obstacle for their optimisation. We…
Low-energy ion beam modification was proposed to create graphene on the top of the insulated diamond-like carbon films. In such low-temperature fabrication process the surface of the amorphous carbon could crystallize to graphene as a…