Kinetic asymmetry between crystal growth and dissolution on a flat surface: computer simulation study at high temperatures

1991 ◽  
Vol 87 (15) ◽  
pp. 2467 ◽  
Author(s):  
Vincent K. W. Cheng
Keyword(s):  
Computer Simulation ◽  
Crystal Growth ◽  
High Temperatures ◽  
Simulation Study ◽  
Flat Surface ◽  
Computer Simulation Study

Al3+ Coordination in Cryolitic Melts: A Computer Simulation Study

1999 ◽  
Vol 54 (10-11) ◽  
pp. 605-610 ◽  
Author(s):  
Michael J. Castiglione ◽  
Mauro C. C. Ribeiro ◽  
Mark Wilson ◽  
Paul A. Madden
Keyword(s):  
Computer Simulation ◽  
Raman Spectroscopy ◽  
Solid State ◽  
Raman Spectra ◽  
High Temperatures ◽  
Simulation Study ◽  
Md Simulations ◽  
Liquid Mixtures ◽  
Computer Simulation Study ◽  
Insight Into

The structures of melts containing cryolite have proved difficult to confirm, despite decades of study, on account of the high temperatures and corrosiveness of these melts. Raman spectroscopy has so far provided the majority of the insight into the aluminium coordination environments, but some of its interpretations are still debated. In this paper we present the results of MD simulations on various NaF-AlF3 liquid mixtures using published potentials developed for the solid state and published Raman spectra.

Enhancement of surface nonwettability by grafting loops

2017 ◽  
Vol 19 (6) ◽  
pp. 4710-4718 ◽  
Author(s):  
Han-Wen Pei ◽  
Xiao-Li Liu ◽  
Hong Liu ◽  
You-Liang Zhu ◽  
Zhong-Yuan Lu
Keyword(s):  
Computer Simulation ◽  
Simulation Study ◽  
Flat Surface ◽  
Polymer Chains ◽  
Computer Simulation Study

We present a computer simulation study on the nonwettability of a flat surface tethered with deformable looped polymer chains.

Computer simulation study of self-diffusion in Pd(001) surface

2007 ◽  
Vol 68 (3) ◽  
pp. 389-393 ◽  
Author(s):  
Guo-Xiang Chen ◽  
Jian-Min Zhang ◽  
Ke-Wei Xu ◽  
Vincent Ji
Keyword(s):  
Computer Simulation ◽  
Simulation Study ◽  
Computer Simulation Study ◽  
Self Diffusion
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