Diffraction Studies of Water Under Pressure

1983 ◽  
Vol 22 ◽  
Author(s):  
G.W. Neilson

During the past decade, improvements in experimental techniques and computer simulation methods have led to a more comprehensive understanding of the properties of water [1]. Foremost amongst these are X-ray and neutron diffraction which provide information directly of the microscopic structure [2]. Such information is in the form of a structure factor F(k) and its real space Fourier transformation G(r). F(k) and G(r) can be used to test the various models of water used in computer simulation studies. G(r) can also provide a basic picture of the short range structure of water characterised by interparticle separations and coordination numbers.

2007 ◽  
Vol 75 (22) ◽  
Author(s):  
Dominik Daisenberger ◽  
Mark Wilson ◽  
Paul F. McMillan ◽  
Raul Quesada Cabrera ◽  
Martin C. Wilding ◽  
...  

2018 ◽  
Vol 255 (11) ◽  
pp. 1800127 ◽  
Author(s):  
Ildikó Pethes ◽  
László Temleitner ◽  
Matija Tomšič ◽  
Andrej Jamnik ◽  
László Pusztai

Crystals ◽  
2018 ◽  
Vol 8 (8) ◽  
pp. 314 ◽  
Author(s):  
Hiroki Nada

This special issue discusses recent advances in computer simulation studies of crystal growth. Crystal growth is a key to innovation in science and technology. Owing to recent progress in computer performance, computer simulation studies of crystal growth have become increasingly important. This special issue covers a variety of simulation methods, including the Monte Carlo, molecular dynamics, first-principles, multiscale, and continuum simulation methods, which are used for studies on the fundamentals and applications of crystal growth and related phenomena for different materials, such as hard-sphere systems, ice, organic crystals, semiconductors, and graphene.


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