Related papers: Thermal stability of cubane C8H8
The thermally activated fracture processes in the carbon backbone of diamond-like carbon nanothreads and the hydrogen desorption from them has been studied by the molecular dynamics method. Specifically, the temperature dependence of the…
We analyze the static potential of a quark-antiquark pair at $T\,\geq\,T_c$, where $T_c$ is a temperature of a deconfinement phase transition in QCD. We discuss the possibility that the non-perturbative part of this potential can be studied…
This paper presents a modeling study of the oxidation of cyclohexane from low to intermediate temperature (650-1050 K), including the negative temperature coefficient (NTC) zone. A detailed kinetic mechanism has been developed using…
A study of the 7Li(9Be,4He 10Be)2H reaction at E{beam}=70 MeV has been performed using resonant particle spectroscopy techniques and provides the first measurements of alpha-decaying states in 14C. Excited states are observed at 14.7, 15.5,…
The processes of defect formation and annealing in fullerene C60 at T=(4000-6000)K are studied by the molecular dynamics technique with a tight-binding potential. The cluster lifetime until fragmentation due to the loss of a C2 dimer has…
The thermal decomposition of n-dodecane, a component of some jet fuels, has been studied in a jet-stirred reactor at temperatures from 793 to 1093 K, for residence times between 1 and 5 s and at atmospheric pressure. Thermal decomposition…
It has been a hot issue to search for hydrides at high pressure with high superconducting transition temperature (Tc). In this work, ternary hydrogen-rich compounds KYHn (n = 1-16) were studied and calculated using the density function…
The CoCrFeNi alloy is widely accepted as an exemplary stable base for high entropy alloys (HEAs). Although various investigations prove it to be stable solid solution, its phase stability is still suspicious. Here, we identified that the…
This work reports a theoretical study of the gas phase unimolecular decomposition of cyclobutane, cyclopentane and cyclohexane by means of quantum chemical calculations. A biradical mechanism has been envisaged for each cycloalkane, and the…
The nature of the dark energy is still a mystery and several models have been proposed to explain it. Here we consider a phenomenological model for dark energy decay into photons and particles as proposed by Lima (J. Lima, Phys. Rev. D 54,…
We study the thermophysical properties of dense helium plasmas by using quantum molecular dynamics and orbital-free molecular dynamics simulations, where densities are considered from 400 to 800 g/cm$^{3}$ and temperatures up to 800 eV.…
An equation of state for 2-flavor quark matter (QM) with diquark condensation under the conditions for compact stars -$\beta$-equilibrium, charge and color neutrality- is presented. Trapped antineutrinos prevent the formation of the diquark…
With the advances in miniaturization, understanding and controlling properties of significant technological systems like silicon in nano regime assumes considerable importance. It turns out that small silicon clusters in the size range of…
We present a study of the thermodynamic and physical properties of Ta5Si3 compounds by means of density functional theory based calculations. Among the three different structures (D8m, D8l, D88), the D8l structure (Cr5B3-prototype) is the…
Near 20.48K and in the temperature range 60--70K, anomalous behavior of thermodynamic, spectral, plastic, elastic and other properties of solid methane is observed. The anomalies in the vicinity of 20.48K are due to the phase $\alpha-\beta$…
Binary uranium hydrides, UHx (x = 1, 2, 3, 5, 6, 7, 8), with different crystal symmetries are potentially interesting compounds for high-Tc superconductivity and as hydrogen storage systems. In this work we have explored the structural,…
One of the prominent decay modes of heavy nuclei which are produced in astrophysical environments at temperatures of the order of $10^9$ K is the $\alpha$ ($^4$He) decay. Thermally enhanced $\alpha$ decay rates are evaluated within the…
As thermoelectric generators can convert waste heat into electricity, they play an important role in energy harvesting. The metal chalcogenide AgBiSe2 is one of the high-performance thermoelectric materials with low lattice thermal…
Current state-of-the-art superconducting microwave qubits are cooled to extremely low temperatures to avoid sources of decoherence. Higher qubit operating temperatures would significantly increase the cooling power available, which is…
An experimental setup for determining the electrical resistivity of several types of thermoelectric materials over the temperature range 20 < T < 550 C is described in detail. One resistivity measurement during temperature cycling is also…