ChemInform Abstract: Computer Simulation of Photoinduced Molecular Motion and Reactivity

ChemInform ◽  
2010 ◽  
Vol 33 (39) ◽  
pp. no-no
Author(s):  
Marco Garavelli ◽  
Fernando Bernardi ◽  
Michael A. Roob ◽  
Massimo Olivucci
Keyword(s):  
Computer Simulation ◽  
Molecular Motion

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.

Averting robo-bees: why free-flying robotic bees are a bad idea

2019 ◽  
Vol 3 (6) ◽  
pp. 723-729
Author(s):  
Roslyn Gleadow ◽  
Jim Hanan ◽  
Alan Dorin
Keyword(s):  
Climate Change ◽  
Computer Simulation ◽  
Food Security ◽  
European Countries ◽  
Plant Interactions ◽  
Plant Insect Interactions ◽  
Native Habitat ◽  
Insect Pollinators ◽  
Insect Interactions

Food security and the sustainability of native ecosystems depends on plant-insect interactions in countless ways. Recently reported rapid and immense declines in insect numbers due to climate change, the use of pesticides and herbicides, the introduction of agricultural monocultures, and the destruction of insect native habitat, are all potential contributors to this grave situation. Some researchers are working towards a future where natural insect pollinators might be replaced with free-flying robotic bees, an ecologically problematic proposal. We argue instead that creating environments that are friendly to bees and exploring the use of other species for pollination and bio-control, particularly in non-European countries, are more ecologically sound approaches. The computer simulation of insect-plant interactions is a far more measured application of technology that may assist in managing, or averting, ‘Insect Armageddon' from both practical and ethical viewpoints.

So You Want to Write a Computer Simulation

1978 ◽  
Vol 23 (9) ◽  
pp. 649-650
Author(s):  
ARTHUR M. FARLEY
Keyword(s):  
Computer Simulation
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