scholarly journals Mapping between atomistic simulations and Eshelby inclusions in the shear deformation of an amorphous silicon model

2016 ◽  
Vol 93 (5) ◽  
Author(s):  
T. Albaret ◽  
A. Tanguy ◽  
F. Boioli ◽  
D. Rodney
Keyword(s):  
Amorphous Silicon ◽  
Shear Deformation ◽  
Atomistic Simulations

Surface Processes during Growth of Hydrogenated Amorphous Silicon

2004 ◽  
Vol 808 ◽  
Author(s):  
Eray S. Aydil ◽  
Sumit Agarwal ◽  
Mayur Valipa ◽  
Saravanapriyan Sriraman ◽  
Dimitrios Maroudas
Keyword(s):  
Amorphous Silicon ◽  
Film Growth ◽  
Silicon Film ◽  
Hydrogenated Amorphous Silicon ◽  
Surface Processes ◽  
Atomistic Simulations ◽  
Elementary Surface ◽  
Hydrogenated Amorphous ◽  
And Diffusion

ABSTRACTHydrogenated amorphous silicon films for photovoltaics and thin film transistors are deposited from silane containing discharges. The radicals generated in the plasma such as SiH3 and H impinge on the surface and lead to silicon film growth through a complex network of elementary surface processes that include adsorption, abstraction, insertion and diffusion of various radicals. Mechanism and kinetics of these reactions determine the film composition and quality. Developing deposition strategies for improving the film quality requires a fundamental understanding of the radical-surface interaction mechanisms. We have been using in situ multiple total internal reflection Fourier transform infrared spectroscopy and in situ spectroscopic ellipsometry in conjunction with atomistic simulations to determine the elementary surface reaction and diffusion mechanisms. Synergistic use of experiments and atomistic simulations elucidate elementary processes occurring on the surface. Herein, we review our current understanding of the reaction mechanisms that lead to a-Si:H film growth with special emphasis on the reactions of the SiH3 radical.

Crystallized silicon nanostructures — experimental characterization and atomistic simulations

2014 ◽  
Vol 92 (7/8) ◽  
pp. 783-788 ◽  
Author(s):  
Solomon Agbo ◽  
Pavol Sutta ◽  
Pavel Calta ◽  
Rana Biswas ◽  
Bicai Pan
Keyword(s):  
Amorphous Silicon ◽  
Silicon Oxide ◽  
Crystalline Silicon ◽  
Chemical Vapor ◽  
Nanocrystalline Silicon ◽  
Atomistic Simulations ◽  
Glass Substrates ◽  
Infrared Measurements ◽  
Nanocrystalline Structures ◽  
Silicon Structures

We have synthesized silicon nanocrystalline structures from thermal annealing of thin film amorphous silicon-based multilayers. The annealing procedure that was carried out in vacuum at temperatures up to 1100 °C is integrated in a X-ray diffraction (XRD) setup for real-time monitoring of the formation phases of the nanostructures. The microstructure of the crystallized films is investigated through experimental measurements combined with atomistic simulations of realistic nanocrystalline silicon (nc-Si) models. The multilayers consisting of uniformly alternating thicknesses of hydrogenated amorphous silicon and silicon oxide (SiO2) were deposited by plasma enhanced chemical vapor deposition on crystalline silicon and Corning glass substrates. The crystallized structure consisting of nc-Si structures embedded in an amorphous matrix were further characterized through XRD, Raman spectroscopy, and Fourier transform infrared measurements. We are able to show the different stages of nanostructure formation and how the sizes and the crystallized mass fraction can be controlled in our experimental synthesis. The crystallized silicon structures with large crystalline filling fractions exceeding 50% have been simulated with a robust classical molecular dynamics technique. The crystalline filling fractions and structural order of nc-Si obtained from this simulation are compared with our Raman and XRD measurements.

Atomistic simulations to study the effect of helium nanobubble on the shear deformation of nickel crystal

2021 ◽  
pp. 153245
Author(s):  
Abhinav Kumar Sharma ◽  
Saurabh S Sharma ◽  
Sandeep Kumar Singh ◽  
Avinash Parashar
Keyword(s):  
Shear Deformation ◽  
Atomistic Simulations ◽  
Nickel Crystal

Evidence from atomistic simulations of fluctuation electron microscopyfor preferred local orientations in amorphous silicon

2004 ◽  
Vol 85 (5) ◽  
pp. 745-747 ◽  
Author(s):  
S. V. Khare ◽  
S. M. Nakhmanson ◽  
P. M. Voyles ◽  
P. Keblinski ◽  
J. R. Abelson
Keyword(s):  
Amorphous Silicon ◽  
Atomistic Simulations

Application Of Electron Probe Analyses Of Minerals In Discussing The Relationship Between Ductile Deformation And Metamorphism

1990 ◽  
Vol 48 (2) ◽  
pp. 250-251
Author(s):  
Fan Guochuan ◽  
Sun Zhongshi
Keyword(s):  
Chemical Composition ◽  
Shear Deformation ◽  
Electron Probe ◽  
General Rule ◽  
Granulite Facies ◽  
Ductile Deformation ◽  
Higher Temperature ◽  
Ductile Shear ◽  
The Relationship ◽  
Ductile Shear Deformation

Under influence of ductile shear deformation, granulite facies mineral paragenesis underwent metamorphism and changes in chemical composition. The present paper discusses some changes in chemical composition of garnet in hypers thene_absent felsic gnesiss and of hypersthene in rock in early and late granulite facies undergone increasing ductile shear deformation .In garnet fetsic geniss, band structures were formed because of partial melting and resulted in zoning from massive⟶transitional⟶melanocrate zones in increasing deformed sequence. The electron-probe analyses for garnet in these zones are listed in table 1 . The Table shows that Mno, Cao contents in garnet decrease swiftly from slightly to intensely deformed zones.In slightly and moderately deformed zones, Mgo contents keep unchanged and Feo is slightly lower. In intensely deformed zone, Mgo contents increase, indicating a higher temperature. This is in accord with the general rule that Mgo contents in garnet increase with rising temperature.

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