相关论文: Mathematical Modeling of Graphite-to-Diamond Trans…
Hydrogen at high temperature and pressure undergoes a phase transition from a liquid molecular phase to a conductive atomic state, or liquid metallic hydrogen, sometimes referred to as the plasma phase transition (PPT). The PPT phase line…
It is claimed that all of the pressure scales of the reported melting curves derived by diamond anvil cell experiments require a correction which takes into account the pressure thermal shift, where vanadium is an illustrative example. The…
The structural evolution of laser-excited systems of gold has previously been measured through ultrafast MeV electron diffraction. However, there has been a long-standing inability of atomistic simulations to provide a consistent picture of…
By suitably adapting a recent approach [A. Laio and M. Parrinello, PNAS, 99, 12562 (2002)] we develop a powerful molecular dynamics method for the study of pressure-induced structural transformations. We use the edges of the simulation cell…
Three dimensional waveguides within the bulk of diamond are manufactured using ultrafast laser fabrication. High intensities within the focal volume of the laser cause breakdown of the diamond into a graphitic phase leading to a stress…
This work demonstrates the effectiveness of the high-pressure method for the production of graphite and diamond with a high degree of boron doping using adamantanecarborane mixture as a precursor. At 8 GPa and $1700 ^{o}C$, graphite is…
To investigate the mechanism of radiation detection in diamonds, we developed a real time time dependent density functional theory based calculation scheme to evaluate changes in the density of states induced by alpha ray irradiation. A…
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…
In the recent years graphitization of ion-beam induced amorphous layers became the basic tool for device fabrication in diamond. The etchable graphitic layers can be removed to form free-standing membranes into which the desired structures…
Electrically-conducting diamond is a promising candidate for next-generation electronic, thermal and electrochemical applications. One of the major obstacles towards its exploitation is the strong degradation that some of its key physical…
Search for new high-temperature superconductors and insight into their superconducting mechanism are of fundamental importance in condensed matter physics. The discovery of near-room temperature superconductivity at more than a million…
The recently demonstrated electroluminescence of color centers in diamond makes them one of the best candidates for room temperature single-photon sources. However, the reported emission rates are far off what can be achieved by…
Electron-ion interactions play a central role for the energy relaxation processes and ultra-fast structure dynamics in laser-heated matter. The accurate prediction of the electron-ion energy exchange in a transient excited two-temperature…
The glow-to-arc transition is a critical phenomenon in plasma discharges, commonly leading to detrimental effects. The physical mechanisms triggering this transition remain poorly understood. The advent of a discharge called Hyper-Power…
The crystallisation of carbon from the melt under extreme conditions is highly relevant to earth and planetary science, materials manufacturing, and nuclear fusion research. The thermodynamic conditions near the graphite-diamond-liquid…
This Perspective describes current computational efforts in the field of simulating photodynamics of transition metal complexes. We present the typical workflows and feature the strengths and limitations of the different contemporary…
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…
We report on the systematic characterization of conductive micro-channels fabricated in single-crystal diamond with direct ion microbeam writing. Focused high-energy (~MeV) helium ions are employed to selectively convert diamond with…
We review the understanding of the random constraint satisfaction problems, focusing on the q-coloring of large random graphs, that has been achieved using the cavity method of the physicists. We also discuss the properties of the phase…
Upon the excitation by an ultrashort laser pulse the conditions in a material can drastically change, altering its optical properties and therefore the relative amount of absorbed energy, a quan- tity relevant for determining the damage…