Related papers: Damage along an ion track in diamond: a computer s…
We study the classical dynamics of a Paul-trapped ion in a low-density bath of atoms above 1 $\mu\textrm{K}$. We find that lower energy collisions with more massive atoms, especially at energies less than the initial micromotion heating,…
The influence of thermal processing on the potential energy, atomic structure, and mechanical properties of metallic glasses is examined using molecular dynamics simulations. We study the three-dimensional binary mixture, which was first…
Transformation of amorphous carbon clusters into fullerenes under high temperature is studied using molecular dynamics simulations at microsecond times. Based on the analysis of both structure and energy of the system, it is found that…
Diamond-based coatings are employed in several technological applications, for their outstanding mechanical properties, biocompatibility, and chemical stability. Of significant relevance is the interface with silicon oxide, where phenomena…
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…
Far from equilibrium, amorphous solids exhibit structural relaxations that span a vast range of timescales such as physical aging and creep. Recently, it has been shown that such relaxations are driven by via intermittent, scale-free, yet…
We consider the effect of the internal nuclear quadrupole interaction on quantum tunneling in complex multi-atomic two-level systems. Two distinct regimes of strong and weak interactions are found. The regimes depend on the relationship…
We simulate the formation of $sp$ carbon chains (carbynes) by thermal decomposition of $sp^2$ carbon heated by a hot discharge plasma, by means of tight-binding molecular dynamics. We obtain and analyze the total quantity of carbynes and…
Boron-doped diamond crystals (BDD, C$_{1-x}$B$_{x}$) exhibit exceptional mechanical strength, electronic tunability, and resistance to radiation damage. This makes them promising materials for use in gamma-ray crystal-based light sources.…
We propose a method to directly couple molecular dynamics, finite element method and particle-in-cell techniques to simulate metal surface response to high electric fields. We use this method to simulate the evolution of a field emitting…
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…
We propose an experimental scheme to observe prethermalization and dynamical transition in one-dimensional XY spin chain with long range interaction and inhomogeneous lattice spacing, which can be readily implemented with the recently…
Spatial non-uniformity in tight-binding models serves as a source of rich phenomena. In this paper, we study a diamond-chain tight-binding model with a spatially-modulated magnetic flux at each plaquette. In the numerical studies with…
The yielding transition that occurs in amorphous solids under athermal quasistatic deformation has been the subject of many theoretical and computational studies. Here, we extend this analysis to include thermal effects at finite shear…
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…
In radiation damage cascade displacement spikes ions and electrons can reach very high temperatures and be out of thermal equilibrium. Correct modelling of cascades with molecular dynamics should allow for the non-adiabatic exchange of…
Gravitational coupling between young planets and their parent disks is often explored using numerical simulations, which typically treat the disk thermodynamics in a highly simplified manner. In particular, many studies adopt the locally…
We investigate the normal mode spectrum of a trapped ion chain at the symmetry-breaking linear to zigzag transition and at finite temperatures. For this purpose we modulate the amplitude of the Doppler cooling laser in order to excite and…
Understanding the thermalization dynamics of quantum many-body systems at the microscopic level is among the central challenges of modern statistical physics. Here we experimentally investigate individual spin dynamics in a two-dimensional…
The coherence characteristics of a tin-vacancy color center in diamond are investigated through optical means including coherent population trapping between the ground state orbital levels and linewidth broadening effects. Due to the large…