Size effect in molecular dynamics simulation of nucleation process during solidification of pure metals: investigating modified embedded atom method interatomic potentials

The Effect of Simulation Cell Size on the Diffusion Coefficient of an Ionic Surfactant Aggregate

(2018) N. A. Volkov et al.   COLLOID JOURNAL

Hybrid Monte Carlo technique for modeling of crystal nucleation and application to lithium disilicate glass-ceramics

(2018) Matthew E. McKenzie et al.   COMPUTATIONAL MATERIALS SCIENCE

A cellular automaton-lattice Boltzmann method for modeling growth and settlement of the dendrites for Al-4.7%Cu solidification

(2018) L. Liu et al.   COMPUTATIONAL MATERIALS SCIENCE

Molecular dynamics simulation of the solidification process of multicrystalline silicon from homogeneous nucleation to grain coarsening

(2018) Xiaoxiao Sui et al.   CRYSTENGCOMM

Scaling laws and size effects for amorphous crystallization kinetics: Constraints imposed by nucleation and growth specificities

(2018) Marc Descamps et al.   INTERNATIONAL JOURNAL OF PHARMACEUTICS

Understanding homogeneous nucleation in solidification of aluminum by molecular dynamics simulations

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

Enhancing and Impeding Heterogeneous Ice Nucleation through Nanogrooves

(2018) Chu Li et al.   Journal of Physical Chemistry C

Atomistic insight into the non-classical nucleation mechanism during solidification in Ni

(2017) Grisell Díaz Leines et al.   JOURNAL OF CHEMICAL PHYSICS

Structural evolution and dynamical properties of Al2Ag and Al2Cu liquids studied by experiments and ab initio molecular dynamics simulations

(2017) L.H. Xiong et al.   JOURNAL OF NON-CRYSTALLINE SOLIDS

Heterogeneity in homogeneous nucleation from billion-atom molecular dynamics simulation of solidification of pure metal

(2017) Yasushi Shibuta et al.   Nature Communications

The anisotropy of hexagonal close-packed and liquid interface free energy using molecular dynamics simulations based on modified embedded-atom method

(2016) Ebrahim Asadi et al.   ACTA MATERIALIA

Submicrometer-scale molecular dynamics simulation of nucleation and solidification from undercooled melt: Linkage between empirical interpretation and atomistic nature

(2016) Yasushi Shibuta et al.   ACTA MATERIALIA

A nucleation algorithm for the coupled conserved–nonconserved phase field model

(2016) A.M. Jokisaari et al.   COMPUTATIONAL MATERIALS SCIENCE

Seeding approach to crystal nucleation

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

Study of static recrystallization behavior in hot deformed Ni-based superalloy using cellular automaton model

(2016) Y.C. Lin et al.   MATERIALS & DESIGN

Two-step crystal growth mechanism during crystallization of an undercooled Ni50Al50 alloy

(2016) Simin An et al.   Scientific Reports

Two-phase solid–liquid coexistence of Ni, Cu, and Al by molecular dynamics simulations using the modified embedded-atom method

(2015) Ebrahim Asadi et al.   ACTA MATERIALIA

Effect of the computational domain size and shape on the self-diffusion coefficient in a Lennard-Jones liquid

(2015) Gota Kikugawa et al.   JOURNAL OF CHEMICAL PHYSICS

Quantitative modeling of the equilibration of two-phase solid-liquid Fe by atomistic simulations on diffusive time scales

(2015) Ebrahim Asadi et al.   PHYSICAL REVIEW B

Finite-Size Effects on Liquid-Solid Phase Coexistence and the Estimation of Crystal Nucleation Barriers

(2015) Antonia Statt et al.   PHYSICAL REVIEW LETTERS

Nanoscale size effects in crystallization of metallic glass nanorods

(2015) Sungwoo Sohn et al.   Nature Communications

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

(2015) Yasushi Shibuta et al.   Scientific Reports

Molecular dynamics calculation of solid–liquid interfacial free energy and its anisotropy during iron solidification

(2013) J. Liu et al.   COMPUTATIONAL MATERIALS SCIENCE

Size Effect on Nucleation Rate for Homogeneous Crystallization of Nanoscale Water Film

(2013) Yongjun Lü et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Modeling dendritic solidification of Al–3%Cu using cellular automaton and phase-field methods

(2012) Mohsen Asle Zaeem et al.   APPLIED MATHEMATICAL MODELLING

Comparison of Cellular Automaton and Phase Field Models to Simulate Dendrite Growth in Hexagonal Crystals

(2012) Mohsen Asle Zaeem et al.   JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY

Investigating thermal effects on morphological evolution during crystallisation of hcp metals: three-dimensional phase field study

(2012) S Wang et al.   MATERIALS TECHNOLOGY

Nucleation of Crystals from Solution: Classical and Two-Step Models

(2009) Deniz Erdemir et al.   ACCOUNTS OF CHEMICAL RESEARCH

Atomistic Modeling of pure Mg and Mg–Al systems

(2009) Young-Min Kim et al.   CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY

Classical density functional theory: an ideal tool to study heterogeneous crystal nucleation

(2009) Gerhard Kahl et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

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

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

Kinetic Reconstruction of the Free-Energy Landscape

(2008) Jan Wedekind et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Size dependent interface energy and its applications

(2008) Q. Jiang et al.   SURFACE SCIENCE REPORTS