Related papers: Odd-even effect in n-alkane systems: A molecular d…
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 $\alpha-\beta$…
Time-odd mean fields (nuclear magnetism) are analyzed in the framework of covariant density functional theory (CDFT). It is shown that they always provide additional binding to the binding energies of odd-mass nuclei. This additional…
This paper presents an experimental and modeling study of the oxidation of large linear akanes (from C10) representative from diesel fuel from low to intermediate temperature (550-1100 K) including the negative temperature coefficient (NTC)…
Mixtures involving nitrobenzene and hydrocarbons, or 1-alkanols and 1-nitroalkane, or nitrobenzene have been investigated based on a whole set of thermophysical properties available in the literature: excess molar functions (enthalpies,…
Geometry, electronic structure, and magnetic properties of TMNan (TM=Cr-Ni; n = 4-7) clusters are studied within a gradient corrected density functional theory (DFT) framework. Two complementary approaches, the first adapted to all-electron…
In this work, we have estimated self diffusion coefficients along with the binary diffusion coefficients of mixtures of alkane (methane, ethane, propane and n-butane) in SPC/E water(H$_2$O). Molecular dynamics study of a binary mixture of…
Hooke's law states that the forces or stresses experienced by an elastic object are proportional to the applied deformations or strains. The number of coefficients of proportionality between stress and strain, i.e., the elastic moduli, is…
Two-dimensional electron gases are predicted to possess an anomalous ''tomographic'' transport regime that is marked by an odd-even effect in the relaxation times, with odd-parity deformations of the Fermi surface becoming long-lived in…
Kohn anomalies are kinks or dips in phonon dispersions which are pronounced in low-dimensional materials. We investigate the effects of non-adiabatic phonon self-energy on Kohn anomalies in one-dimensional metals by developing a model that…
We describe odd isotopes as formed of a core plus one neutron. We have calculated the modification of single neutron energies brought by couplings of the neutron with collective $2^+$ phonons in the cores. The results reproduce very well…
We have performed shell-model calculations of binding energies of nuclei around $^{132}$Sn. The main aim of our study has been to find out if the behavior of odd-even staggering across N=82 is explainable in terms of the shell model. In our…
Quantum phase transitions between competing equilibrium shapes of nuclei with an odd number of nucleons are explored using a microscopic framework of nuclear energy density functionals and a particle-boson core coupling model. The boson…
Methane is thought to have been an important greenhouse gas during the Archean, although its potential warming has been found to be limited at high concentrations due to its high shortwave absorption. We use the Met Office Unified Model, a…
Anomalously large linear and quadratic Zeeman shifts are measured for weakly bound ultracold $^{88}$Sr$_2$ molecules near the intercombination-line asymptote. Nonadiabatic Coriolis coupling and the nature of long-range molecular potentials…
We have performed first-principles molecular-dynamics simulations based on density-functional theory to study the thermophysical properties of ethane under extreme conditions. We present new results for the equation of state of fluid ethane…
We present the results of molecular dynamics simulations of odd alkane impurities present within the hexane (even alkane) monolayer. We simulate various temperatures at ca. 3%, 5%, 10%, and 15% impurities of propane, pentane, heptane,…
The odd-even mass staggering (OES) of nuclei is analyzed in the context of self-consistent mean-field calculations. The procedure developed allows to understand the OES for spherical as well as for deformed nuclei. Comparison with results…
Liquid-liquid equilibria phase diagrams have been determined for the systems: 2-methoxyphenol + n-decane, or + n-dodecane, or + n-tetradecane or + n-hexadecane and for 2-ethoxyphenol + n-octane, or + n-dodecane, or + n-tetradecane, or +…
Non-equilibrium and active effects in mesoscopic scale systems have heralded a new era of scientific inquiries, whether concerning meta-materials or biological systems such as bacteria and cellular components. At mesoscopic scales,…
Densities, $\rho$, speeds of sound, $c$, and refractive indices, $n_{\text{D}}$, have been measured for the systems N,N-dimethylformamide (DMF) + propanone, + 2-butanone, or + 2-pentanone in the temperature ($T$) range from 293.15 to 303.15…