Related papers: Modified Marrone-Treanor dissociation model: formu…
Laboratory plasma production almost always preferentially heats either the ions or electrons, leading to a two-temperature state. High-fidelity modeling of these systems can be achieved with density functional theory molecular dynamics in…
We report the results of a first-principles study of dissociative electron attachment to H2O. The cross sections are obtained from nuclear dynamics calculations carried out in full dimensionality within the local complex potential model by…
We propose an embedding of standard active particle models in terms of two-temperature processes. One temperature refers to an ambient thermal bath, and the other temperature effectively describes ``hot spots,'' i.e., systems with few…
Path integral Monte Carlo simulation of the dipositronium "molecule" Ps$_2$ reveals its surprising thermal instability. Although, the binding energy is $\sim 0.4$ eV, due to the strong temperature dependence of its free energy Ps$_2$…
In this work, we determine the dissociation line of the nitrogen (N$_2$) hydrate by computer simulation using the TIP4P/Ice model for water and the TraPPE force field for N$_2$. We use the solubility method proposed recently by some of us…
We have measured total absolute cross sections for the Mutual Neutralization (MN) of O- with O+/N+. A fine resolution (of about 50 meV) in the kinetic energy spectra of the product neutral atoms allows unique identification of the atomic…
A previous study of diatomic molecules revealed that variational second-order density matrix theory has serious problems in the dissociation limit when the N-representability is imposed at the level of the usual two-index (P, Q, G) or even…
We propose and demonstrate an experimental scheme to engineer thermal baths with independently tunable temperatures and dissipation rates for the motional modes of a trapped-ion system. This approach enables robust thermal-state preparation…
We establish that the exact quantum dynamics of a Brownian particle in the Caldeira-Leggett model can be mapped, at any temperature, onto a classical, non-Markovian stochastic process in phase space. Starting from a correlated thermal…
Using an equation of motion (EOM) approach, we calculate excitonic properties of monolayer transition metal dichalcogenides (TMDs) perturbed by an external magnetic field. We compare our findings to the widely used Wannier model for…
We examine a potential role of the neutrino deuteron reactions in the mechanism of supernova explosion by evaluating the energy transfer cross section for the neutrino heating. We calculate the energy loss rate due to the neutrino…
Understanding the processes governing the dissociation of excitons to free charge carriers in semiconductors and insulators is of central importance for photovoltaic applications. Dyson's $\mathcal{S}$-matrix formalism provides a framework…
Two-dimensional (2D) magnets host a wide range of exotic magnetic textures, whose low-energy excitations and finite-temperature properties are typically described by effective spin models based on Heisenberg-like Hamiltonians. A key…
The recent discovery and characterization of the diversity of the atmospheres of exoplanets and brown dwarfs calls for the development of fast and accurate analytical models. We quantify the accuracy of the analytical solution derived in…
The phase separation that occurs in two-temperature mixtures, which are driven out of equilibrium at the local scale, has been thoroughly characterized, but much less is known about the depletion interactions that drive it. Using numerical…
We propose and use a novel, hybrid Monte Carlo algorithm that combines configurational bias particle swaps with parallel tempering. We use this new method to simulate a standard model of a glass forming binary mixture above and below the…
Friction coefficients for the fusion reaction $^{16}$O+$^{16}$O $\rightarrow$ $^{32}$S are extracted based on both the time-dependent Hartree-Fock and the time-dependent density matrix methods. The latter goes beyond the mean-field…
Magnetically trapped neutral atoms can be cooled with the evaporation technique. This is typically done by using a radiofrequency (rf) field that adiabatically couples trapped and untrapped internal atomic states for atoms with kinetic…
We examine electron-transport coefficients in magnetized hot and dense electron-ion plasma relevant in binary neutron star merger simulation. We calculate electrical and thermal conductivities in low density, high temperature, highly…
The rate coefficients of various isotopic variations of the H2+ + H2 and H3+ + H2 reactions in the 10-250 K temperature range were measured using a cryogenic 22 pole radio frequency ion trap. The processes involving diatomic ions were found…