Sb atoms in In3SbTe2 (IST) are partially substituted by 3.2-5.5 at.% of Bi atoms. As a result, the NaCl crystal structure of IST is slightly distorted. The distorted inter-planar angles observed with fast Fourier transformation of the lattice images are within the maximum range of interplanar angles calculated by density functional theory. When the Bi content is increased, the crystallization t...

The Wang-Landau Monte Carlo approach is applied to the coil-globule and melting transitions of off-lattice flexible homopolymers. The solid-liquid melting point and coil-globule transition temperatures are identified by their respective peaks in the heat capacity as a function of temperature. The melting and theta points are well separated, indicating that the coil-globule transition occurs sep...

Computer molecular dynamics simulations of a two-dimensional B = 13 bicrystai, interact@ through a Cennard-Janes potential, have been performed. Grain boundary phase equilibria were studied through the temperature dependence of the bicrystal enthalpy. Two phenomena were studied: a transition to a liquid-like layer at approximately 80% of the bulk melting point, and a reorientation of the grain ...

Many investigators of the early martian climate have suggested that a dense carbon dioxide atmosphere was present and warmed the surface above the melting point of water (J.B. Pollack, J.F. Kasting, S.M. Richardson, and K. Poliakoff 1987. Icarus 71, 203-224). However, J.F. Kasting (1991. Icarus 94, 1-13) pointed out that previous thermal models of the primitive martian atmosphere had not consid...

We investigate nanosecond photoluminescence processes in colloidal core/shell CdSe/ZnS nanoparticles dissolved in water and found strong sensitivity of luminescence to the solvent state. Several pronounced changes have been observed in the narrow temperature interval near the water melting point. First of all, the luminescence intensity substantially (approximately 50%) increases near the trans...

Taras Bryk1,2 and A. B. Belonoshko3 1Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine, 1 Svientsitskii Street, UA-79011 Lviv, Ukraine 2Institute of Applied Mathematics and Fundamental Sciences, National Technical University of Lviv, UA-79013 Lviv, Ukraine 3Condensed Matter Theory, Department of Theoretical Physics, KTH Royal Institute of Technology, SE-10691...

Vapor-liquid-solid (VLS) is a well-established process in catalyst-guided growth of nanowires. The catalyst particle is generally believed to be in liquid state during growth, and it is the site for adsorbing incoming molecules; the crystalline structure of the catalyst may not have any influence on the structure of the grown one-dimensional nanostructures. In this paper, using tin particle gui...

Designing new materials with novel topological properties and reduced dimensionality is always desirable for material innovation. Here we report the design of a two-dimensional material, namely Be5C2 monolayer on the basis of density functional theory computations. In Be5C2 monolayer, each carbon atom binds with five beryllium atoms in almost the same plane, forming a quasi-planar pentacoordina...

We present measurements of the velocity distribution of calcium atoms in an atomic beam generated using a dual-stage laser back-ablation apparatus. Distributions are measured using a velocity selective Doppler time-of-flight technique. They are Boltzmann-like with rms velocities corresponding to temperatures above the melting point for calcium. Contrary to a recent report in the literature, thi...

Alloisoleucine, prepared from a mixture of racemic isoleucine-alloisoleucine diastereoisomers, can be heavily contaminated with isoleucine if the recrystallization of acetyl-dl-alloisoleucine is controlled by melting point only. Two commercial specimens were found to be thus contaminated.