Related papers: Modified Marrone-Treanor model: parameterization a…
While sophisticated numerical methods for studying equilibrium states have well advanced, quantitative predictions of kinetic behaviour remain challenging. We introduce a reactant-to-barrier (R2B) machine learning model that rapidly and…
The industrial application motivating this work is the fatigue computation of aircraft engines' high-pressure turbine blades. The material model involves nonlinear elastoviscoplastic behavior laws, for which the parameters depend on the…
The reaction dynamics of O(3P) + O2(3Sigma_g-) collisions in the O3(1A') electronic ground state is characterized on a high-level MRCI+Q/aug-cc-pVQZ potential energy surface represented as a reproducing kernel. For the atom exchange…
We calculate the nuclear relaxation rate of oxygen in the undoped quasi two-dimensional quantum Heisenberg antiferromagnet Sr_2CuO_2Cl_2 above the Neel temperature. The calculation is performed at two-loop order with the help of the…
Measurements of the structure of hexagonal RMnO3 (R=rare earths (Ho) and Y) for temperatures significantly above the ferroelectric transition temperature (TFE) were conducted to determine the nature of the transition. The local and long…
A comprehensive description of molecular electron transfer reactions is essential for our understanding of fundamental phenomena in bio-energetics and molecular electronics. Experimental studies of molecular systems in condensed-phase…
The dynamics for the NO($X^2 \Pi$) + N($^4$S) $\leftrightarrow$ N$_{2}(X^{1}\Sigma_{g}^{+}$) + O($^{3}$P) reaction was followed in the $^3$A' electronic state using state-to-state (STS) and Arrhenius-based rates from two different…
Temporal analysis of products (TAP) reactors enable experiments that probe numerous kinetic processes within a single set of experimental data through variations in pulse intensity, delay, or temperature. Selecting additional TAP…
Neutrino induced reactions on $^{12}$C, an ingredient of liquid scintillators, have been studied in several experiments. We show that for currently available neutrino energies, $E_{\nu} \le$ 300 MeV, calculated exclusive cross sections…
The lack of signed random networks in standard balance studies has prompted us to extend the Hamiltonian of the standard balance model. Random networks with tunable parameters are suitable for better understanding the behavior of standard…
We address an actual problem of baryon-resonance dominated meson-exchange processes in the low GeV regime, i.e. the phase and the structure of meson-NN* transition vertices. Our starting point is a quark-diquark model for the baryons…
All the neutron star (NS) atmosphere models published so far have been calculated in the "cold plasma approximation", which neglects the relativistic effects in the radiative processes, such as cyclotron emission/absorption at harmonics of…
Thermal dissociation and recombination of molecular hydrogen, H_2, in the atmospheres of ultra-hot Jupiters (UHJs) has been shown to play an important role in global heat redistribution. This, in turn, significantly impacts their planetary…
We study the fusion of a proton with a nucleus with the emission of two photons at low incident energy of the order of eV or smaller. We use a step model for the repulsive potential between proton and the nuclei. We consider the reaction…
The energy evolution of medium-modified average multiplicities and multiplicity fluctuations in quark and gluon jets produced in heavy-ion collisions is investigated from a toy QCD-inspired model. In this model, we use modified splitting…
The high-temperature atom exchange and dissociation reaction dynamics of the O($^3$P) + O$_2(^3\Sigma_g^{-} )$ system are investigated based on a new reproducing kernel-based representation of high-level multi-reference configuration…
Low-temperature plasmas are partially ionized gases, where ions and neutrals coexist in a highly reactive environment. This creates a rich chemistry, which is often difficult to understand in its full complexity. In this work, we develop a…
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…
We construct atmosphere models for strongly magnetized neutron stars with surface fields $B\sim 10^{12}-10^{15}$ G and effective temperatures $T_{\rm eff}\sim 10^6-10^7$ K. The atmospheres directly determine the characteristics of thermal…
The development of room-temperature sensing devices for detecting small concentrations of molecular species is imperative for a wide range of low-power sensor applications. We demonstrate a room-temperature, highly sensitive, selective, and…