Related papers: Damage along an ion track in diamond: a computer s…
This study reveals a previously unreported phenomenon: elastic softening of synthetic diamonds at temperatures below 1 K. We present ultrasonic measurements on single-crystalline, non-irradiated synthetic diamonds--namely, type-IIa…
The shock strength dependent formation of diamond represents one of the most intriguing questions in graphite research. Using ab initio DFT-trained carbon GNN model, we observe a strength-dependent graphite transition under shock. The poor…
Diamondynes, a new class of diamond-like carbon allotropes composed of carbon with sp$^2$/sp$^3$-hybridized carbon networks, exhibit unique structural motifs that have not been previously reported in carbon materials. These architectures…
The ability to probe nanoscale heat flow in a material is often limited by lack of spatial resolution. Here, we use a diamond-nanocrystal-hosted nitrogen-vacancy centre attached to the apex of a silicon thermal tip as a local temperature…
We study thermalization and non-equilibrium dynamics in a dissipative quantum many-body system -- a chain of ions with two points of the chain driven by thermal bath under different temperature. Instead of a simple linear temperature…
In many astrophysical systems, mixing between cool and hot temperature gas/plasma through Kelvin-Helmholtz-instability-driven turbulence leads to the formation of an intermediate temperature phase with increased radiative losses that drive…
Thermalization phenomena, while ubiquitous in quantum systems, have traditionally been viewed as obstacles to be mitigated. In this study, we demonstrate the ability, instead, to harness thermalization to dynamically engineer and stabilize…
Amorphous carbon (a-C) formed under energetic atom deposition and by cooling of a melt by MD simulations in a wide $P,T$-range is investigated. Simulations of a-C formation with atomic beam deposition reveal a sharp GLC-to-DLC transition…
Hydrocarbon mixtures are extremely abundant in the Universe, and diamond formation from them can play a crucial role in shaping the interior structure and evolution of planets. With first-principles accuracy, we first estimate the diamond…
We study the static and dynamic properties of liquid silica over a wide range of temperature T and density using computer simulations. The results reveal a change in the potential energy landscape as T decreases that underlies a transition…
The structural relaxation of amorphous materials is described as arising from the superposition of elementary processes with varying activation energies. We show that it is possible to obtain the kinetic parameters of these processes from…
Recently has been observed for some one-dimensional models that exhibit unexpected pseudo-transitions and quasi-phases. This pseudo-transition resembles a first- and second-order phase transition simultaneously. One of those models is the…
Diamond's exceptional properties make it highly suited for applications in challenging radiation environments. Understanding radiation-induced damage in diamond is crucial for enabling its practical applications and advancing materials…
Dynamic nuclear polarization (DNP) can increase nuclear magnetic resonance (NMR) signals by orders of magnitude. DNP in diamond proceeds through different DNP mechanisms with a possible temperature-dependence. We report on 13C dynamic…
Hybrid magnonic quantum systems have drawn increased attention in recent years for coherent quantum information processing, but too large magnetic damping is a persistent concern when metallic magnets are used. Their intrinsic damping is…
Symmetry considerations are used in presenting a model of the electronic structure and the associated dynamics of the nitrogen-vacancy center in diamond. The model accounts for the occurrence of optically induced spin polarization, for the…
Using empirical potential molecular dynamics we compute dynamical matrix eigenvalues and eigenvectors for a 4096 atom model of amorphous silicon and a set of models with voids of different size based on it. This information is then employed…
Recent advances in machine learning have enabled large-scale atomic simulations with first-principles accuracy, allowing precise modeling of disordered materials such as glassy carbon (GC). However, conventional ab initio molecular dynamics…
Electrical conductivity of a highly boron doped chemical vapor deposited diamond thin film has been studied at different temperatures under high electric field conditions. Current-voltage characteristics have been measured using pulsed…
Geometric phase of an open quantum system that is interacting with a thermal environment (bath) is studied through some simple examples. The system is considered to be a simple spin-half particle which is weakly coupled to the bath. It is…