Analysis of irradiated Ag and Si by molecular dynamics and calculated HREM imaging. Mattei, G. & Mazzone, A. M. ULTRAMICROSCOPY, 58:223–231, Elsevier BV:PO Box 211, 1000 AE Amsterdam Netherlands:011 31 20 4853757, 011 31 20 4853642, 011 31 20 4853641, EMAIL: nlinfo-f@elsevier.nl, INTERNET: http://www.elsevier.nl, Fax: 011 31 20 4853598, 1995. doi abstract bibtex In order to clarify the limits of HREM observations of defects due to radiation damage, a simulation method has been designed which combines molecular dynamics and HREM simulation. Disorder due to ion irradiation in Si and Ag is simulated by using a molecular dynamics technique and HREM images are computed by a multislice dynamic procedure. The conditions to achieve a goad HREM visibility of such defective structures have been investigated by analyzing the effects of the physical inputs of molecular dynamics as well as the ones of the instrumental parameters of TEM observations. This analysis indicates that the structure of the damaged region is not critical. On the contrary, the fractional disorder is of paramount importance and determines the conditions leading to an appreciable contrast of the disordered region against the crystalline background.
@article{
11577_144104,
author = {Mattei, Giovanni and Mazzone, A. M.},
title = {Analysis of irradiated Ag and Si by molecular dynamics and calculated HREM imaging},
year = {1995},
publisher = {Elsevier BV:PO Box 211, 1000 AE Amsterdam Netherlands:011 31 20 4853757, 011 31 20 4853642, 011 31 20 4853641, EMAIL: nlinfo-f@elsevier.nl, INTERNET: http://www.elsevier.nl, Fax: 011 31 20 4853598},
journal = {ULTRAMICROSCOPY},
volume = {58},
abstract = {In order to clarify the limits of HREM observations of defects due to radiation damage, a simulation method has been designed which combines molecular dynamics and HREM simulation. Disorder due to ion irradiation in Si and Ag is simulated by using a molecular dynamics technique and HREM images are computed by a multislice dynamic procedure. The conditions to achieve a goad HREM visibility of such defective structures have been investigated by analyzing the effects of the physical inputs of molecular dynamics as well as the ones of the instrumental parameters of TEM observations. This analysis indicates that the structure of the damaged region is not critical. On the contrary, the fractional disorder is of paramount importance and determines the conditions leading to an appreciable contrast of the disordered region against the crystalline background.},
doi = {10.1016/0304-3991(95)00044-2},
pages = {223--231}
}
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