Computer simulation of the cage effect in the photodissociation of bromine molecules in the presence of N2 at high pressures

1981 ◽  
Vol 77 (11) ◽  
pp. 2105 ◽  
Author(s):  
Anthony J. Stace
Keyword(s):  
Computer Simulation ◽  
High Pressures ◽  
Cage Effect

scholarly journals Simple Molecular Systems at Very High Pressures: Computer simulation studies.

1998 ◽  
Vol 7 ◽  
pp. 172-177 ◽  
Author(s):  
Guido L. Chiarotti ◽  
F. Ancilotto ◽  
M. Bernasconi ◽  
S. Bernard ◽  
C. Cavazzoni ◽  
...  
Keyword(s):  
Computer Simulation ◽  
High Pressures ◽  
Simulation Studies ◽  
Molecular Systems ◽  
Computer Simulation Studies ◽  
Very High

Photolytic cage effect of iodine in gases at high pressures

1974 ◽  
Vol 24 (1) ◽  
pp. 85-87 ◽  
Author(s):  
K. Luther ◽  
J. Troe
Keyword(s):  
High Pressures ◽  
Cage Effect

scholarly journals The effect of anaesthetics on the properties of a lipid membrane in the biologically relevant phase: a computer simulation study

2015 ◽  
Vol 17 (22) ◽  
pp. 14750-14760 ◽  
Author(s):  
Balázs Fábián ◽  
Mária Darvas ◽  
Sylvain Picaud ◽  
Marcello Sega ◽  
Pál Jedlovszky
Keyword(s):  
Computer Simulation ◽  
Simulation Study ◽  
High Pressures ◽  
Lipid Membrane ◽  
General Anaesthetic ◽  
Phospholipid Membranes ◽  
Computer Simulation Study ◽  
Biologically Relevant

Phospholipid membranes containing four different general anaesthetic molecules are simulated in the biologically relevant Lα phase at atmospheric and high pressures.

Characterization of Modulated Structure Through Structure Images and their Computer Simulation

1990 ◽  
Vol 48 (1) ◽  
pp. 70-71
Author(s):  
Kiyomichi Nakai ◽  
Yusuke Isobe ◽  
Chiken Kinoshita ◽  
Kazutoshi Shinohara
Keyword(s):  
Computer Simulation ◽  
High Resolution ◽  
Spherical Aberration ◽  
High Resolution Electron Microscopy ◽  
Basic Mechanism ◽  
Objective Lens ◽  
Specimen Thickness ◽  
Transmitted Beam ◽  
Modulated Structure ◽  
Resolution Electron

Induced spinodal decomposition under electron irradiation in a Ni-Au alloy has been investigated with respect to its basic mechanism and confirmed to be caused by the relaxation of coherent strain associated with modulated structure. Modulation of white-dots on structure images of modulated structure due to high-resolution electron microscopy is reduced with irradiation. In this paper the atom arrangement of the modulated structure is confirmed with computer simulation on the structure images, and the relaxation of the coherent strain is concluded to be due to the reduction of phase-modulation.Structure images of three-dimensional modulated structure along <100> were taken with the JEM-4000EX high-resolution electron microscope at the HVEM Laboratory, Kyushu University. The transmitted beam and four 200 reflections with their satellites from the modulated structure in an fee Ni-30.0at%Au alloy under illumination of 400keV electrons were used for the structure images under a condition of the spherical aberration constant of the objective lens, Cs = 1mm, the divergence of the beam, α = 3 × 10-4 rad, underfocus, Δf ≃ -50nm and specimen thickness, t ≃ 15nm. The CIHRTEM code was used for the simulation of the structure image.

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