Molecular dynamics simulations of spontaneous and seeded nucleation and theoretical calculations for zinc selenide

Crystal Nucleation Kinetics in Supercooled Germanium: MD Simulations versus Experimental Data

(2020) Azat O. Tipeev et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Successful test of the classical nucleation theory by molecular dynamic simulations of BaS

(2019) Sandra Cristina Costa Prado et al.   COMPUTATIONAL MATERIALS SCIENCE

Entropy and the Tolman Parameter in Nucleation Theory

(2019) Jürn W. P. Schmelzer et al.   Entropy

Spontaneous Crystallization of a Supercooled Lennard-Jones Liquid: Molecular Dynamics Simulation

(2019) Vladimir G. Baidakov et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Nucleation kinetics in supercooled Ni50Ti50: Computer simulation data corroborate the validity of the Classical Nucleation Theory

(2019) Azat O. Tipeev et al.   CHEMICAL PHYSICS LETTERS

Interfacial free energy of a liquid-solid interface: Its change with curvature

(2019) P. Montero de Hijes et al.   JOURNAL OF CHEMICAL PHYSICS

NaCl nucleation from brine in seeded simulations: Sources of uncertainty in rate estimates

(2018) Nils. E. R. Zimmermann et al.   JOURNAL OF CHEMICAL PHYSICS

Understanding homogeneous nucleation in solidification of aluminum by molecular dynamics simulations

(2018) Avik Mahata et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Overcoming the Time Limitation in Molecular Dynamics Simulation of Crystal Nucleation: A Persistent-Embryo Approach

(2018) Yang Sun et al.   PHYSICAL REVIEW LETTERS

Diffusivity, Interfacial Free Energy, and Crystal Nucleation in a Supercooled Lennard-Jones Liquid

(2018) Azat O. Tipeev et al.   Journal of Physical Chemistry C

Role of stacking disorder in ice nucleation

(2017) Laura Lupi et al.   NATURE

Study of optical properties of thermally evaporated ZnSe thin films annealed at different pulsed laser powers

(2016) A.S. Hassanien et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Crystallization of glass-forming liquids: Specific surface energy

(2016) Jürn W. P. Schmelzer et al.   JOURNAL OF CHEMICAL PHYSICS

Seeding approach to crystal nucleation

(2016) Jorge R. Espinosa et al.   JOURNAL OF CHEMICAL PHYSICS

Analysis of nucleation using mean first-passage time data from molecular dynamics simulation

(2016) David A. Nicholson et al.   JOURNAL OF CHEMICAL PHYSICS

Crystallization of glass-forming liquids: Thermodynamic driving force

(2016) Jürn W.P. Schmelzer et al.   JOURNAL OF NON-CRYSTALLINE SOLIDS

Crystallization of Glass: What We Know, What We Need to Know

(2016) Jürn W. P. Schmelzer et al.   International Journal of Applied Glass Science

Nucleation of NaCl from Aqueous Solution: Critical Sizes, Ion-Attachment Kinetics, and Rates

(2015) Nils E. R. Zimmermann et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Homogeneous nucleation and microstructure evolution in million-atom molecular dynamics simulation

(2015) Yasushi Shibuta et al.   Scientific Reports

Homogeneous ice nucleation evaluated for several water models

(2014) J. R. Espinosa et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular dynamics simulations of the melting curve of NiAl alloy under pressure

(2014) Wenjin Zhang et al.   AIP Advances

Crystal nucleation and the solid–liquid interfacial free energy

(2012) Vladimir G. Baidakov et al.   JOURNAL OF CHEMICAL PHYSICS

Homogeneous Nucleation of Methane Hydrates: Unrealistic under Realistic Conditions

(2012) Brandon C. Knott et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The effect of composition on structural and optical properties of ZnSe alloys

(2012) M.A. Abdel-Rahim et al.   OPTICS AND LASER TECHNOLOGY

Molecular dynamics analysis of the crystallization of an overcooled aluminum melt

(2012) G. E. Norman et al.   Russian Journal of Physical Chemistry A

Structural transformation in supercooled water controls the crystallization rate of ice

(2011) Emily B. Moore et al.   NATURE

Solid-liquid interface free energy through metadynamics simulations

(2010) Stefano Angioletti-Uberti et al.   PHYSICAL REVIEW B

Test of classical nucleation theory and mean first-passage time formalism on crystallization in the Lennard-Jones liquid

(2009) Sarah E. M. Lundrigan et al.   JOURNAL OF CHEMICAL PHYSICS

Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool

(2009) Alexander Stukowski   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING