Related papers: High pressure melt locus of iron from atom-in-jell…
A multiscale approach based on molecular dynamics (MD) and kinetic Monte Carlo (kMC) methods is developed to simulate the dynamics of an $\langle \mathbf{a} \rangle$ screw dislocation in $\alpha$-Ti. The free energy barriers for the core…
This paper derives a general procedure for the numerical solution of the Lindblad equations that govern the coherences arising from multicoloured light interacting with a multilevel system. A systematic approach to finding the conservative…
The formation of the giant planets in our solar system, and likely a majority of giant exoplanets, is commonly explained by the accretion of nebular hydrogen and helium onto a large core of terrestrial-like composition. The fate of this…
We use polydispersity in size as a control parameter to explore certain aspects of melting and freezing transitions in a system of Lennard-Jones spheres. Both analytical theory and computer simulations are employed to establish a…
We performed first-principles molecular dynamics calculations for lithium using the projector augmented waves method and the generalized gradient approximation as exchange-correlation energy. The melting curve of lithium was computed using…
We study the high-pressure melting behavior of titanium using laser-driven shock compression with in situ femtosecond x-ray diffraction and molecular-dynamics simulations based on a machine-learned interatomic potential. The MD simulations…
In future nuclear fusion reactors high heat load events, such as edge-localised modes (ELMs), can potentially damage divertor materials and release impurities into the main plasma, limiting plasma performance. The most difficult to handle…
We set up simple harmonic lattice models for elastic fluctuations in bcc and fcc lattices and the excitation of dislocations and disclinations. From these we derive, in a lowest approximation, universal formulas which predict melting…
The effects of flexibility and chemical composition in the variation of the glass transition temperature are obtained by using the Lindemann criteria, that relates melting temperature with atomic vibrations. Using this criteria and that…
The modeling of deposition rates in Thermal Laser Epitaxy (TLE) is essential for the accurate prediction of the evaporation process and for improved dynamic process control. We demonstrate excellent agreement between experimental data and a…
Atmospheric escape driven by extreme ultraviolet (EUV) radiation is a critical process shaping the evolution of close-in exoplanets. Recent observations have detected helium triplet absorption in numerous (>20) close-in exoplanets,…
We report new accurate mesasurements of the mobility of excess electrons in high density Helium gas in extended ranges of temperature $[(26\leq T\leq 77) K ]$ and density $[ (0.05\leq N\leq 12.0) {atoms} \cdot {nm}^{-3}]$ to ascertain the…
An accurate prediction of atomic diffusion in Fe alloys is challenging due to thermal magnetic excitations and magnetic transitions. We propose an effcient approach to address these properties via Monte Carlo simulation, using ab-initio…
The accurate thermoelastic properties and thermal conductivity are crucial in understanding the thermal evolution of the Martian core. A fitting method based on the ab initio calculated pressure-volume-temperature data is proposed in the…
Warm dense matter (WDM) is an exotic state on the border between condensed matter and dense plasmas. Important occurrences of WDM include dense astrophysical objects, matter in the core of our Earth, as well as matter produced in strong…
Extreme electron-ion non-equilibrium states, generated by ultrafast laser excitation, lead to melting processes that are fundamentally different from those under conventional thermal equilibrium and remain not fully understood. Through…
The precise location of the liquid-vapor critical point in aluminum has remained elusive for decades, with reported critical temperatures spanning nearly 4000 K. Here we resolve this long-standing uncertainty by combining deep potential…
The fraction of heavy vector mesons detected after a heavy ion collision provides information about the possible formation of a plasma state. An interesting framework for estimating the degree of dissociation of heavy mesons in a plasma is…
Liquid metals at extreme pressures and temperatures are widely interested in the high-pressure community. Based on density functional theory molecular dynamics, we conduct first-principles investigations on the equation of state (EOS) and…
Observations of isolated neutron stars place constraints on the equation of state (EOS) of cold, neutron-rich matter, while nuclear physics experiments probe the EOS of hot, symmetric matter. Many dynamical phenomena, such as core-collapse…