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

Y Shibuta, S Sakane, E Miyoshi, S Okita… - Nature …, 2017 - nature.com
Can completely homogeneous nucleation occur? Large scale molecular dynamics
simulations performed on a graphics-processing-unit rich supercomputer can shed light on …

A review of large-scale simulations of microstructural evolution during alloy solidification

N Cusato, SA Nabavizadeh, M Eshraghi - Metals, 2023 - mdpi.com
During the past two decades, researchers have shown interest in large-scale simulations to
analyze alloy solidification. Advances in in situ X-ray observations of the microstructural …

Large-scale phase-field simulations for dendrite growth: A review on current status and future perspective

T Takaki - IOP Conference Series: Materials Science and …, 2023 - iopscience.iop.org
The current status of large-scale phase-field (PF) simulations for dendrite growth is reviewed
by focusing on the study conducted by our group. The discussion includes the competitive …

Angular-dependent interatomic potential for large-scale atomistic simulation of iron: Development and comprehensive comparison with existing interatomic models

S Starikov, D Smirnova, T Pradhan, Y Lysogorskiy… - Physical Review …, 2021 - APS
The development of classical interatomic potential for iron is a quite demanding task with a
long history background. A new interatomic potential for simulation of iron was created with …

[HTML][HTML] 4D synchrotron X-ray tomographic quantification of the transition from cellular to dendrite growth during directional solidification

B Cai, J Wang, A Kao, K Pericleous, AB Phillion… - Acta Materialia, 2016 - Elsevier
Solidification morphology directly impacts the mechanical properties of materials; hence
many models of the morphological evolution of dendritic structures have been formulated …

Grain growth competition during melt pool solidification—Comparing phase-field and cellular automaton models

SM Elahi, R Tavakoli, I Romero, D Tourret - Computational Materials …, 2023 - Elsevier
A broad range of computational models have been proposed to predict microstructure
development during solidification processing but they have seldom been compared to each …

[HTML][HTML] Primary arm array during directional solidification of a single-crystal binary alloy: Large-scale phase-field study

T Takaki, S Sakane, M Ohno, Y Shibuta… - Acta Materialia, 2016 - Elsevier
Primary arm arrays formed during the directional solidification of a single-crystal binary alloy
were investigated by performing large-scale phase-field simulations using the GPU …

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

Y Shibuta, K Oguchi, T Takaki, M Ohno - Scientific reports, 2015 - nature.com
Homogeneous nucleation from an undercooled iron melt is investigated by the statistical
sampling of million-atom molecular dynamics (MD) simulations performed on a graphics …

Numerical methods for solid-liquid phase-change problems

M Zeneli, A Nikolopoulos, S Karellas… - Ultra-high temperature …, 2021 - Elsevier
This chapter describes formulation of simulation models for ultrahigh temperature latent heat
thermal energy storage (UHT-LHTES) systems. A brief overview of the involved mechanisms …

Multi-GPUs parallel computation of dendrite growth in forced convection using the phase-field-lattice Boltzmann model

S Sakane, T Takaki, R Rojas, M Ohno, Y Shibuta… - Journal of Crystal …, 2017 - Elsevier
Melt flow drastically changes dendrite morphology during the solidification of pure metals
and alloys. Numerical simulation of dendrite growth in the presence of the melt flow is crucial …