ChemInform Abstract: The Crystal/Liquid Interface: Structure and Properties from Computer Simulation

ChemInform ◽  
2010 ◽  
Vol 24 (22) ◽  
pp. no-no
Author(s):  
B. B. LAIRD ◽  
A. D. J. HAYMET
Keyword(s):  
Computer Simulation ◽  
Interface Structure ◽  
Liquid Interface ◽  
Structure And Properties

scholarly journals Structures and properties of phosphate-based bioactive glasses from computer simulation: a review

2017 ◽  
Vol 5 (27) ◽  
pp. 5297-5306 ◽  
Author(s):  
Jamieson K. Christie ◽  
Richard I. Ainsworth ◽  
Sergio E. Ruiz Hernandez ◽  
Nora H. de Leeuw
Keyword(s):  
Computer Simulation ◽  
Computer Simulations ◽  
Atomic Structure ◽  
Phosphate Glasses ◽  
Structure And Properties ◽  
Bioactive Glasses ◽  
Structures And Properties

Computer simulations have enabled breakthroughs in understanding the connections between the atomic structure and properties of bioactive phosphate glasses.

Interactive Force of Two-Dimensional Compressive Deformation by Discrete Element Method (DEM)

2014 ◽  
Vol 353 ◽  
pp. 106-110 ◽  
Author(s):  
Sarunya Promkotra ◽  
Tawiwan Kangsadan
Keyword(s):  
Computer Simulation ◽  
Discrete Element Method ◽  
Van Der Waals ◽  
Discrete Element ◽  
Interaction Force ◽  
Liquid Interface ◽  
Two Dimensional ◽  
Colloidal Aggregates ◽  
Air Liquid Interface ◽  
Element Method

Discrete Element Method (DEM) computer simulation is used to examine the influence of contact force between two-dimensional aggregates of polystyrene microsphere formed on the air-liquid interface. Colloidal aggregates have been treated as the granular material or discontinuum materials. The interaction force models are related to experiment which had done by digital video microscopy. The interaction mechanisms of the contact forces between particles in the colloidal system can be considered as a combination of spring and dashpot force and van der Waals force. According to the DEM, the interaction forces are evaluated to introduce relations between particles and the result comparison between the computer simulation and the experimental work. This study indicates that the behavior of the colloidal aggregates depends on the long-ranged (spring and dashpot) and the short-ranged interaction force (van der Waals). Besides, the behaviors shown in both computer simulation and the experiment are in good agreement. Thus, this computer simulation method can mimic the behavior of colloidal aggregates forming as a monolayer at the air-liquid interface.

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