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Studying the crystallization process of silicon is a challenging task since empirical potentials are not able to reproduce well the properties of both semiconducting solid and metallic liquid. On the other hand, nucleation is a rare event…

Computational Physics · Physics 2019-01-10 Luigi Bonati , Michele Parrinello

Nucleation is an activated process in which the system has to overcome a free energy barrier in order for a first-order phase transition between the metastable and the stable phases to take place. In the liquid-to-solid transition the…

Soft Condensed Matter · Physics 2016-11-28 John Russo , Hajime Tanaka

At the extreme densities reached in the core of neutron stars, it is possible that quark deconfined matter is produced. The formation of this new phase of strongly interacting matter is likely to occur via a first-order phase transition for…

Nuclear Theory · Physics 2024-10-14 Mirco Guerrini , Giuseppe Pagliara , Alessandro Drago , Andrea Lavagno

Nucleation at large metastability is still largely an unsolved problem, although is a problem of tremendous current interest, with wide practical value. It is well-accepted that the classical nucleation theory (CNT) fails to provide a…

Statistical Mechanics · Physics 2010-12-22 Mantu Santra , Rakesh S. Singh , Biman Bagchi

Molecular dynamics simulations on a three dimensional defective Lennard-Jones solid containing a void are performed in order to investigate detailed properties of hot spot generation. In addition to the temperature, I monitor the number of…

Materials Science · Physics 2007-05-23 Takahiro Hatano

Although impurities are unavoidable in real-world and experimental systems, most numerical studies on nucleation focus on pure (impurity-free) systems. As a result, the role of impurities in phase transitions remains poorly understood,…

Soft Condensed Matter · Physics 2024-09-16 Gadha Ramesh , Mantu Santra , Rakesh S. Singh

Phase field crystal methodology is applied, for the first time, to study the effect of alloy composition on the clustering behavior of a quenched/aged supersaturated ternary Al alloy system. An analysis of the work of formation is built…

Materials Science · Physics 2012-10-19 Vahid Fallah , Nana Ofori-Opoku , Jonathan Stolle , Nikolas Provatas , Shahrzad Esmaeili

Crystallization is one of the most important phase transformations of first order. In the case of metals and alloys, the liquid phase is the parent phase of materials production. The conditions of the crystallization process control the…

Materials Science · Physics 2016-11-03 Diter M. Herlach , Thomas Palberg

A widely spread method of crystal preparation is to precipitate it from a supersaturated solution. In such a process, control of solution concentration is of paramount importance. Nucleation process, polymorph selection, and crystal habits…

Soft Condensed Matter · Physics 2019-07-10 Tarak Karmakar , Pablo M. Piaggi , Michele Parrinello

We study numerically the crystallization process in a supersaturated suspension of repulsive colloidal particles driven by simple shear flow. The effect of the shear flow on crystallization is two-fold: while it suppresses the initial…

Soft Condensed Matter · Physics 2013-07-02 Boris Lander , Udo Seifert , Thomas Speck

The behavior of nuclear matter is studied at low densities and temperatures using classical molecular dynamics with three different sets of potentials with different compressibility. Nuclear matter is found to arrange in crystalline…

Nuclear Theory · Physics 2013-05-13 C. O. Dorso , P. A. Giménez Molinelli , J. I. Nichols , J. A. López

Quark clustering could occur in cold quark matter because of the strong coupling between quarks at realistic baryon densities of compact stars. Although one may still not be able to calculate this conjectured matter from first principles,…

High Energy Astrophysical Phenomena · Physics 2015-05-13 X. Y. Lai , R. X. Xu

The classical nucleation theory (CNT) and its modified versions provide a convenient framework for describing the nucleation process under the capillary approximation. However, these models often predict nucleation rates that depart…

Soft Condensed Matter · Physics 2024-10-30 Yijian Wu , Thomas Philippe

An experimental and theoretical study on the structure and energetics of stellated gold clusters at several sizes is presented. Systematic molecular dynamics simulations on Kepler-Poisont classified clusters are performed based on…

With scanning tunneling microscopy, we study the very early stage of Si deposition on a Pb monolayer covered Si(111) surface. We find a special type of Si magic clusters which are highly mobile on the defect-free surface but may be trapped…

Liquid crystals (LCs) composed of mesogens play important roles in various scientific and engineering problems. How a system with many mesogens can enter a LC state is an interesting and important problem. Using stiff and free-joint…

We study the effects of radiative cooling, star formation and stellar feedback on the properties and evolution of galaxy clusters using high-resolution Adaptive Mesh Refinement N-body+gasdynamics simulations of clusters forming in the LCDM…

Astrophysics · Physics 2009-11-10 Daisuke Nagai , Andrey V. Kravtsov

It has long been assumed the Earth's solid inner core started to grow when molten iron cooled to its melting point. However, the nucleation mechanism, which is a necessary step of crystallization, has not been well understood. Recent…

Geophysics · Physics 2022-01-11 Yang Sun , Feng Zhang , Mikhail I. Mendelev , Renata M. Wentzcovitch , Kai-Ming Ho

The classical nucleation theory finds the rate of nucleation proportional to the monomer concentration raised to the power, which is the `critical nucleaus size', ${n_c}$. The implicit assumption, that amyloids nucleate in the same way, has…

Soft Condensed Matter · Physics 2020-05-19 Cheng-Tai Lee , Eugene M. Terentjev

Using molecular simulation, we study the nucleation process from supercooled liquid alloys of Cu and Pd. The simulations reveal a complex interplay between the size of the crystal nucleus and its composition that greatly impacts the…

Statistical Mechanics · Physics 2021-08-19 Caroline Desgranges , Jerome Delhommelle