scholarly journals Temperature Dependence of Solid-Liquid Interfacial Energy for Pure Metals by Metadynamics-Based Simulations

2021 ◽  
Author(s):  
Kensho Ueno ◽  
Satoru Fukuhara ◽  
Yasushi Shibuta
Keyword(s):  
Temperature Dependence ◽  
Interfacial Energy ◽  
Liquid Interfacial Energy ◽  
Pure Metals ◽  
Solid Liquid

scholarly journals Bayesian Data Assimilation of Temperature Dependence of Solid–Liquid Interfacial Properties of Nickel

Nanomaterials ◽  
2021 ◽  
Vol 11 (9) ◽  
pp. 2308
Author(s):  
Yuhi Nagatsuma ◽  
Munekazu Ohno ◽  
Tomohiro Takaki ◽  
Yasushi Shibuta
Keyword(s):  
Crystal Growth ◽  
Data Assimilation ◽  
Temperature Dependence ◽  
Interfacial Energy ◽  
Md Simulation ◽  
Interfacial Properties ◽  
Simultaneous Estimation ◽  
Liquid Interfacial Energy ◽  
Bayesian Data Assimilation ◽  
Solid Liquid

Temperature dependence of solid–liquid interfacial properties during crystal growth in nickel was investigated by ensemble Kalman filter (EnKF)-based data assimilation, in which the phase-field simulation was combined with atomic configurations of molecular dynamics (MD) simulation. Negative temperature dependence was found in the solid–liquid interfacial energy, the kinetic coefficient, and their anisotropy parameters from simultaneous estimation of four parameters. On the other hand, it is difficult to obtain a concrete value for the anisotropy parameter of solid–liquid interfacial energy since this factor is less influential for the MD simulation of crystal growth at high undercooling temperatures. The present study is significant in shedding light on the high potential of Bayesian data assimilation as a novel methodology of parameter estimation of practical materials an out of equilibrium condition.

Solid-liquid interfacial energy on crystallization in Fe-Si-B alloy glass

1986 ◽  
Vol 21 (10) ◽  
pp. 3497-3500 ◽  
Author(s):  
Yoshitake Nishi ◽  
Kaoru Mikagi ◽  
Fumio Kanazaki
Keyword(s):  
Interfacial Energy ◽  
Alloy Glass ◽  
Liquid Interfacial Energy ◽  
Solid Liquid

Solid–liquid interfacial energy for solid succinonitrile in equilibrium with succinonitrile dichlorobenzene eutectic liquid

2006 ◽  
Vol 445 (1) ◽  
pp. 86-91 ◽  
Author(s):  
Y. Ocak ◽  
S. Akbulut ◽  
U. Böyük ◽  
M. Erol ◽  
K. Keşlioğlu ◽  
...  
Keyword(s):  
Interfacial Energy ◽  
Eutectic Liquid ◽  
Liquid Interfacial Energy ◽  
Solid Liquid
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