相关论文: Characterizing the greater-than-bulk melting behav…
A large number (~10,000) of uniform stainless steel balls comprising less than one layer coverage on a vertically shaken plate provides a rich system for the study of excited granular media. Viewed from above, the horizontal motion in the…
The equation of state (EOS) of alloys at high pressures is generalized with the cluster expansion method. It is shown that this provides a more accurate description. The low temperature EOSs of Ni-Al alloys on FCC and BCC lattices are…
A systematic and detailed investigation of the finite-temperature behavior of small sodium clusters, Na_n, in the size range of n= 8 to 50 are carried out. The simulations are performed using density-functional molecular-dynamics with…
Recent studies on weak ferromagnets Fe2-xMnxCrAl (0<x<1) reveal the presence of cluster glass (CG) and Griffiths phase (GP) below and above the ferromagnetic transition temperature (TC) [(2019) Sci. Rep. 9 15888]. In this work, the…
We investigate the interplay of particle number, N, and structural properties of selected clusters with N=12 up to N=562 by employing Gupta potentials parameterized for Aluminum and extensive Monte-Carlo simulations. Our analysis focuses on…
We use molecular dynamics simulations to study the melting of gold icosahedral clusters of a few thousand atoms. We pay particular attention to the behavior of surface atoms, and to the equilibrium shape of the cluster. We find that…
The spatial emission from the core of cooling flow clusters of galaxies is inadequately described by a beta-model(Cavaliere and Fusco-Femiano 1976). Spectrally, the central region of these clusters are well approximated with a…
We report results from an X-ray study of the Abell 2111 galaxy cluster using the Advanced Satellite for Astrophysics and Cosmology ASCA and the ROSAT Position Sensitive Proportional Counter (PSPC). By correcting for the energy-dependent…
Supermassive black holes at the centres of galaxies are often surrounded by dense star clusters. For a wide range of cluster properties and orbital radii the resonant relaxation times in these clusters are much shorter than the Hubble time.…
We present here a detailed investigation into the magnetic ordering of full Heusler alloy Ga$_2$MnCo using dc, ac magnetization measurements, neutron diffraction and neutron depolarization experiments. Crystal structure at room temperature…
Specific heat studies of the Sr$_{1-x}$Ba$_x$Mn$_{1-y}$Ti$_y$O$_3$ polycrystalline samples performed by the relaxation and DSC methods over the temperature range 2 - 450 K are reported. Anomalies accompanying the…
Using molecular dynamics simulation technique, we have studied the melting behaviours of free, icosahedral PtN clusters in the size range of N=12-14. Voter and Chen version of an embedded-atom model, derived by fitting to experimental data…
The search for effective methods to fabricate bulk single-phase quasicrystalline Al-Cu-Fe alloys is currently an important task. Crucial to solving this problem is to understand mechanisms of phase formation in this system. Here we study…
We present a phenomenological model of melting in nanoparticles with facets that are only partially wet by their liquid phase. We show that in this model, as the solid nanoparticle seeks to avoid coexistence with the liquid, the…
Gold nanoclusters have been the focus of numerous computational studies but an atomistic understanding of their structural and dynamical properties at finite temperature is far from satisfactory. To address this deficiency, we investigate…
Temperature maps are presented of the 9 largest clusters in the mock catalogues of Muanwong et al. for both the Preheating and Radiative models. The maps show that clusters are not smooth, featureless systems, but contain a variety of…
Laves phases often form as secondary phases in metallic alloys and have a significant effect on their structural properties. Thus, phase stability studies for these chemically and structurally complex phases in addition to mechanical…
The melting-like transition in potasium clusters K_N, with N=20, 55, 92 and 142, is studied by using an orbital-free density-functional constant-energy molecular dynamics simulation method, and compared to previous theoretical results on…
A cage compound AxV2Al20 (Al10V), that was called an Einstein solid by Caplin and coworkers 40 years ago, is revisited to investigate the low-energy, local vibrations of the A atoms and their influence on the electronic and superconducting…
Finite-temperature structures of Cu, Ag, and Au metal nanoclusters are calculated in the entire temperature range from 0 K to melting using a computational methodology that we proposed recently [Settem \emph{et al.}, Nanoscale, 2022, 14,…