相关论文: Characterizing the greater-than-bulk melting behav…
Highly size-asymmetrical fluid mixtures arise in a variety of physical contexts, notably in suspensions of colloidal particles to which much smaller particles have been added in the form of polymers or nanoparticles. Conventional schemes…
A few-body cluster is a building block of a many-body system in a gas phase provided the temperature at most is of the order of the binding energy of this cluster. Here we illustrate this statement by considering a system of tubes filled…
Atomically precise metal nanoclusters bridge the molecular and bulk regimes, but designing bimetallic motifs with targeted stability and reactivity remains challenging. Here we combine density functional theory (DFT) and physics-grounded…
We present evidence for the existence of magnetic clusters of approximately 20 \AA in the strongly correlated alloy system CeNi$_{1-x}$Cu$_{x}$ (0.7 $\le$ x $\le$ 0.2) based on small angle neutron scattering experiments as well as the…
Low-energy rattling modes and their effects on superconductivity are studied in the cage compound GaxV2Al20. A series of polycrystalline samples of 0 < x =< 0.6 are examined through resistivity, magnetic susceptibility, and heat capacity…
Vacuum heat treatment of mechanically-alloyed powders of boron and aluminum leads to formation of a metastable Al-rich phase, which can be quenched. Its structure, composition, and thermal stability are established. With chemical formula…
We explore the relationship between the metallicity of the intracluster gas in clusters of galaxies, determined by X-ray spectroscopy, and the presence of cooling flows. Using ASCA spectra and ROSAT images, we demonstrate a clear…
We present a general-purpose parameterization of the atomic cluster expansion (ACE) for magnesium. The ACE shows outstanding transferability over a broad range of atomic environments and captures physical properties of bulk as well as…
The eutectic Ga-In (EGaIn) alloy has low vapor pressure, low toxicity, high thermal and electrical conductivities, and thus has shown a great potential for smart material applications. For such applications, EGaIn is maintained above its…
While nanoalloys are of paramount scientific and practical interests, the main processes leading to their formation are still poorly understood. Key structural features in the alloy systems, including crystal phase, chemical ordering, and…
High Entropy Alloys (HEAs) contain near equimolar amounts of five or more elements and are a compelling space for materials design. Great emphasis is placed on identifying HEAs that form a homogeneous solid-solution, but the design of such…
We investigate a non-equilibrium ionization state and an electron-ion two-temperature structure of the intracluster medium in the merging galaxy cluster, 1E0657-56 (the Bullet cluster), using a series of N-body and hydrodynamic simulations.…
The solid solution Ga1-xGexV4S8 (x = 0 - 1) was synthesized by solid state reactions and characterized by temperature-dependent x-ray powder diffraction and static magnetic susceptibility measurements. The compounds crystallize in the cubic…
Reactivity of Aluminum Clusters has been found to exhibit size sensitive variations. This work is motivated by a recent report1 predicting higher reactivity of melted Aluminum clusters towards the N2 molecule as compared to the non-melted…
Nobel metals that are deposited on a polymer surface exhibit surface diffusion and diffusion into the bulk. At the same time the metal atoms tend to form clusters because their cohesive energy is about two orders of magnitude higher than…
In this research, atomistic molecular dynamics simulations are combined with mesoscopic phase-field computational methods in order to investigate phase-transformation in polycrystalline Aluminum microstructure. In fact, microstructural…
Microcanonical molecular dynamics study of the spontaneous alloying(SA), which is a manifestation of fast atomic diffusion in a nano-sized metal cluster, is done in terms of a simple two dimensional binary Morse model. Important features…
We studied by means of computer simulations the low temperature properties of two-dimensional parahydrogen clusters comprising between 7 and 30 molecules. Computed energetics is in quantitative agreement with that reported in the only…
The melting-like transition in disordered sodium clusters Na_N, with N=92 and 142 is studied by using a first-principles constant-energy molecular dynamics simulation method. Na_142, whose atoms are distributed in two (surface and inner)…
Metropolis Monte Carlo simulations of the eutectic NaK alloy are performed using the Second Moment Approximation (SMA) model potential across a wide range of temperatures at constant pressure. The alloy structure and thermodynamics are…