Solidification microstructures and solid-state parallels: Recent developments, future directions

M Asta, C Beckermann, A Karma, W Kurz, R Napolitano… - Acta Materialia, 2009‏ - Elsevier
Rapid advances in atomistic and phase-field modeling techniques as well as new
experiments have led to major progress in solidification science during the first years of this …

Computational techniques at the organic− inorganic interface in biomineralization

JH Harding, DM Duffy, ML Sushko, PM Rodger… - Chemical …, 2008‏ - ACS Publications
Just over ninety years ago, the first edition of D'Arcy Thompson's book On Growth and Form
appeared. 1 Much of it is long out of date, but D'Arcy Thompson makes a point of …

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 …

Amorphization and nanocrystallization of silicon under shock compression

S Zhao, EN Hahn, B Kad, BA Remington… - Acta Materialia, 2016‏ - Elsevier
Abstract High-power, short-duration, laser-driven, shock compression and recovery
experiments on [001] silicon unveiled remarkable structural changes above a pressure …

High melting points of tantalum in a laser-heated diamond anvil cell

A Dewaele, M Mezouar, N Guignot, P Loubeyre - Physical Review Letters, 2010‏ - APS
In situ x-ray diffraction has been used to characterize the structural modifications of tantalum
samples under intense laser irradiation, up to 135 GPa in a diamond anvil cell. Melting data …

A massively parallel infrastructure for adaptive multiscale simulations: modeling RAS initiation pathway for cancer

F Di Natale, H Bhatia, TS Carpenter, C Neale… - Proceedings of the …, 2019‏ - dl.acm.org
Computational models can define the functional dynamics of complex systems in
exceptional detail. However, many modeling studies face seemingly incommensurate …

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 …

Solidification in a supercomputer: from crystal nuclei to dendrite assemblages

Y Shibuta, M Ohno, T Takaki - Jom, 2015‏ - Springer
Thanks to the recent progress in high-performance computational environments, the range
of applications of computational metallurgy is expanding rapidly. In this paper, cutting-edge …

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

Y Shibuta, S Sakane, T Takaki, M Ohno - Acta Materialia, 2016‏ - Elsevier
Nucleation and solidification from the undercooled iron melt are investigated from the
atomistic point of view by large-scale molecular dynamics (MD) simulations up to 12 million …

A new method for analyzing the local structures of disordered systems

ZA Tian, RS Liu, KJ Dong, AB Yu - Europhysics Letters, 2011‏ - iopscience.iop.org
We present a novel method to identify local structures in disordered systems according to
topological criteria. Its effectiveness is demonstrated in the analysis of the atomic structures …