Related papers: Thermal Activation of Methane by MgO$^+$: Temperat…
The phenomenally large enhancement in conductivity observed when Li-doped MgO crystals are oxidized at elevated temperatures was investigated by dc and ac electrical measurements in the temperature interval 250-673 K. The concentration of…
We report measurements of the susceptibility in the temperature range from $3.5$ K to $6.0$ K of a series of Mn$_{12}$-ac and Mn$_{12}$-ac-MeOH samples in the shape of rectangular prisms of length $l_c$ and square cross-section of side…
HCN is a key ingredient for synthesizing biomolecules such as nucleobases and amino acids. We calculate 42 reaction rate coefficients directly involved with or in competition with the production of HCN in the early Earth or Titan…
Standard models of ion channel voltage gating require substantial movement of one transmembrane segment, S4, of the voltage sensing domain. Evidence comes from the accessibility to external methanethiosulfonate (MTS) reagents of the…
We report a Raman scattering investigation of KTa1-xNbxO3 (x = 0.35, 0.5) thin films deposited on MgO and LaAlO3 as a function of temperature. The observed phase sequence in the range from 90 K to 720 K is similar to the structural phase…
We investigate the effect of a single heat treatment cycle on the potential energy states and mechanical properties of metallic glasses using molecular dynamics simulations. We consider the three-dimensional binary mixture, which was…
We studied the O-bearing molecule HCOOCH3 to characterize the physical conditions of the different molecular source components in Orion-KL. We identify 28 methyl formate emission peaks throughout the 50" field of observations. The two…
The reaction between D$^+$ and H$_2$ plays an important role in astrochemistry at low temperatures and also serves as a prototype for simple ion-molecule reaction. Its ground $\tilde{X}~^1A^{\prime}$ state has a very small thermodynamic…
Context. Recent Monte Carlo simulations and laboratory studies of interstellar ices have proposed an alternative pathway involving the radical-molecule H-atom abstraction reaction in the overall mechanism of methanol (CH3OH) formation in…
Atomic metallic hydrogen has been produced in the laboratory at high pressure and low temperature, prompting further investigations of its different properties. However, purely experimental approaches are infeasible because of the extreme…
Aiming towards materials design for methane activation, we study temperature ($T$), pressure ($p$) dependence of the composition, structure, and stability of metal oxide clusters in a reactive atmosphere using a prototypical model catalyst…
The knowledge of chemical and magnetic conditions at the Co40Fe40B20 / MgO interface is important to interpret the strong annealing temperature dependence of tunnel magnetoresistance of Co-Fe-B / MgO / Co-Fe-B magnetic tunnel junctions,…
Among all closed-shell species observed in molecular clouds, molecules with C$_{3v}$ symmetry play a crucial role, as their rotational spectroscopy allows them to behave as a gas thermometer. In the interstellar medium, methyl cyanide…
Reaction rate constants and cross sections are computed for the radiative association of carbon cations ($\text{C}^+$) and fluorine atoms ($\text{F}$) in their ground states. We consider reactions through the electronic transition $1^1\Pi…
We present results from calculations of the physical conditions necessary for the occurrence of 36.169 ($4_{-1}-3_{0}\, E$), 44.070 ($7_{0}-6_{1}\,A^+$), 84.521 ($5_{-1}-4_{0}\,E$), and 95.169 ($8_{0}-7_{1}\,A^+$) GHz methanol (CH$_3$OH)…
The feasibility of contemporary gas-grain astrochemical models depends on the availability of accurate kinetics data, in particular, for surface processes. We study the sensitivity of gas-grain chemical models to the energy barrier Ea of…
We use a boost-invariant one-dimensional (cylindrically symmetric) fluid dynamics code to calculate $e^+e^-$ production from $\rho^0$ and $\omega$ decay in the central rapidity region of a central S+Au collision at $\sqrt{s}=20$…
Spin-dependent charge transport in magnetic tunnel junctions (MTJs) can be manipulated by a temperature gradient, which can be utilized for spintronic and spin caloritronic applications. Evaluation of the thermally induced phenomena…
Magnetic reconnection is an explosive process that accelerates particles to high energies in Earth's magnetosphere, offering a unique natural laboratory to study this phenomenon. This study investigates how well data-driven fully kinetic…
Using the UrQMD/coarse graining approach we explore the kinetic freeze-out stage in central Au + Au collisions at various energies. These studies allow us to obtain detailed information on the thermodynamic properties (e.g. temperature and…