相关论文: A computational study of 13-atom Ne-Ar cluster hea…
The hot nucleus $^{171}$Yb is investigated by the covariant density functional theory with the PC-PK1 effective interaction. The thermodynamic quantities are evaluated with the canonical ensemble theory. The pairing correlations is treated…
Structural, elastic and thermal properties of cementite (Fe$_3$C) were studied using a Modified Embedded Atom Method (MEAM) potential for iron-carbon (Fe-C) alloys. Previously developed Fe and C single element potentials were used to…
Finite temperature quantum Monte Carlo simulations are performed on the anisotropic t-J model and in particular on its Ising limit. Straight site-centered stripes are imposed by an on-site potential representing external mechanisms of…
Ab initio calculations of the Gamow-Teller (GT) matrix elements in the $\beta$ decays of $^6$He and $^{10}$C and electron captures in $^7$Be are carried out using both variational and Green's function Monte Carlo wave functions obtained…
In the study of phase transitions a very few models are accessible to exact solution. In the most cases analytical simplifications have to be done or some numerical technique has to be used to get insight about their critical properties.…
The empirical heat capacities of $^{93-98}$Mo nuclei are re-investigated by using the latest updated and recommended nuclear level density (NLD) data below the neutron binding energy $B_n$ combined with the back-shifted Fermi-gas (BSFG)…
We investigate the localization and clustering features in $^{20}$Ne ($N=Z$) and neutron-rich $^{32}$Ne nuclei at zero and finite temperatures. The finite temperature Hartree-Bogoliubov theory is used with the relativistic density-dependent…
Context: The standard cooling models of neutron stars predict temperatures $T<10^{4}$ K for ages $t>10^{7}$ yr. However, the likely thermal emission detected from the millisecond pulsar J0437-4715, of spin-down age $t_s \sim 7\times10^9$…
Density-functional theory has been applied to investigate systematics of sodium clusters Na_n in the size range of n= 39-55. A clear evolutionary trend in the growth of their ground-state geometries emerges. The clusters at the beginning of…
In the current work we revisit the pair-potential recently proposed by Wang et al. (Phys. Chem. Chem. Phys. 10624, 22, 2020) as a well defined finite-range alternative to the widely used Lennard-Jones interaction model. The advantage of…
As one of the most robust global optimization methods, simulated annealing has received considerable attention, with many variations that attempt to improve the cooling schedule. This paper introduces a variant of simulated annealing that…
We use ASCA data to obtain two-dimensional maps of the gas temperature in three clusters: A754, A3558 and Triangulum Australis (the maps of A2256, A2319, A2163 and A665, also presented at the conference, have since appeared in [5]). All…
Composition, atomic structure, and electronic properties of TM$_x$Mg$_y$O$_z$ clusters (TM = Cr, Ni, Fe, Co, $x+y \leq 3$) at realistic temperature $T$ and partial oxygen pressure $p_{\textrm{O}_2}$ conditions are explored using the {\em ab…
We apply a simple statistical mechanics cluster approximation for studying clustering in the Kern and Frenkel model of Janus fluids. The approach is motivated by recent Monte Carlo simulations work on the same model revealing that the vapor…
We propose an efficient Monte Carlo algorithm for simulating a ``hardly-relaxing" system, in which many replicas with different temperatures are simultaneously simulated and a virtual process exchanging configurations of these replica is…
There is no shortage of energy around to solve the overcooling problem of cooling flow clusters. AGNs, as well as gravitational energy are both energetic enough to balance the cooling of cores of clusters. The challenge is to couple this…
We present a new model for the creation of cool cores in rich galaxy clusters within a LambdaCDM cosmological framework using the results from high spatial dynamic range, adaptive mesh hydro/N-body simulations. It is proposed that cores of…
A dimer of bound atoms cannot melt, only dissociate. Bulk metals show a well defined first order transition between their solid and liquid phases. The appearance of the melting transition is explored for increasing clusters sizes via the…
Ultracold atomic systems have been of great research interest in the past, with more recent attention being paid to systems of mixed species. In this work we carry out non-perturbative Path Integral Monte Carlo (PIMC) simulations of N…
We report our successful implementation of the full fledged relativistic equation of motion coupled cluster (EOMCC) method. This method is employed to compute the principal ionization potentials (IPs) of closed-shell rare gas atoms, He-like…