Related papers: High-dose long-time defect evolution in tungsten s…
Atomistic simulations provide valuable insights into the physical processes governing material behavior. However, their applicability is fundamentally constrained by the limited time scales accessible to brute-force simulations. This…
Employing Monte-Carlo simulation techniques we investigate the statistical properties of equally charged particles confined in a one-dimensional box trap and detect a crossover from a crystalline to a cluster phase with increasing…
Quantum crystals abound in the whole range of solid-state species. Below a certain threshold temperature the physical behavior of rare gases (4He and Ne), molecular solids (H2 and CH4), and some ionic (LiH), covalent (graphite), and…
A phase transformation in a metastable phase can be affected when it is subjected to a high intensity ultrasound wave. In this study we determined the effect of oscillation in pressure and temperature on a phase transformation using the…
Background: Lower production of H$_2$O$_2$ in water is a hallmark of ultra-high dose rate (UHDR) compared to the conventional dose rate (CDR). However, the current computational models based on the predicted yield of H$_2$O$_2$ are in…
In simulations of crystals, unlike liquids or gases, it may happen that the properties of the studied system depend not only on the volume of the simulation cell but also on its shape. For such cases it is desirable to change the shape of…
The interaction of energetic ions with the electronic and ionic system of target materials is an interesting but challenging multi-scale problem and understanding of the early stages after impact of heavy, initially charged ions is…
Defects and impurities strongly affect the timing and the character of the (re)ordering or disordering transitions of thermodynamic systems captured in metastable states. In this paper we analyze the case of two-dimensional magnetic…
Monte Carlo simulation is one of the most important tools in the study of diffusion processes. For constant diffusion coefficients, an appropriate Gaussian distribution of particle's steplengths can generate exact results, when compared…
A Monte Carlo based computer model is presented to comprehend the contrasting observations of Mazumder et al. [Phys. Rev. Lett. 93, 255704 (2004) and Phys. Rev. B 72, 224208 (2005)], based on neutron-scattering measurements, on temporal…
Ultracold neutrons (UCN) with kinetic energies up to 300 neV can be stored in material or magnetic confinements for hundreds of seconds. This makes them a very useful tool for probing fundamental symmetries of nature, by searching for…
Reliable predictions of weak rapid neutron capture ($\textit{r}$-process) abundances require a systematic treatment of nuclear physics uncertainties, especially neutron capture rates far from stability. We employ new neutron capture rates…
Molecular dynamics simulations have been used to generate a comprehensive database of surviving defects due to displacement cascades in bulk tungsten. Twenty one data points of primary knock-on atom (PKA) energies ranging from 100 eV…
This study delves into the complex mechanisms of defect production and accumulation in nanocrystalline tungsten under irradiation, with a particular focus on the interplay between grain boundaries and free surfaces. Through molecular…
Radiation chemistry of model systems irradiated with ultra-high dose-rates (UHDR) is key to obtain a mechanistic understanding of the sparing of healthy tissue, which is called the FLASH effect. It is envisioned to be used for efficient…
Stellar collisions have long been envisioned to be of great importance in the center of galaxies where densities of 1e6 stars per cubic pc or higher are attained. Not only can they play a unique dynamical role by modifying stellar masses…
We investigate the chemical evolution of complex organic molecules (COMs) in turbulent disks using gas-ice chemical reaction network simulations. We trace trajectories of dust particles considering advection, turbulent diffusion, gas drag,…
The microturbulent approximation of turbulent motions is widely used in radiative transfer calculations. Mainly motivated by its simple computational application it is probably in many cases an oversimplified treatment of the dynamical…
The economical lifetime of the divertor is a key concern for realizing nuclear fusion reactors that may solve the world's energy problem. A main risk is thermo-mechanical failure of the plasma-facing tungsten monoblocks, as a consequence of…
We present molecular dynamics (MD) simulations results for dense fluids of ultrasoft, fully-penetrable particles. These are a binary mixture and a polydisperse system of particles interacting via the generalized exponential model, which is…