Computer Simulations of Laser Ablation of Molecular Substrates

ChemInform ◽  
2003 ◽  
Vol 34 (18) ◽  
Author(s):  
Leonid V. Zhigilei ◽  
Elodie Leveugle ◽  
Barbara J. Garrison ◽  
Yaroslava G. Yingling ◽  
Michael I. Zeifman
2003 ◽  
Vol 103 (2) ◽  
pp. 321-348 ◽  
Author(s):  
Leonid V. Zhigilei ◽  
Elodie Leveugle ◽  
Barbara J. Garrison ◽  
Yaroslava G. Yingling ◽  
Michael I. Zeifman

1995 ◽  
Vol 380 ◽  
Author(s):  
Alfred P. Weber ◽  
James D. Thorne ◽  
Sheldon K. Friedlander

ABSTRACTThe microstructure of an agglomerate can be characterized by the coordination number. The relationship between the fractal dimension and the coordination number of agglomerates of nanometer particles was investigated in experiments and computer simulations. The results for silver agglomerates formed by laser ablation agreed well with the simulations. The coordination number is low for low density fractals because of the large fraction of surface particles which have fewer bonds. The sensitivity of the coordination number to the fractal dimension increases with increasing fractal dimension.


2003 ◽  
Vol 103 (2) ◽  
pp. 317-320 ◽  
Author(s):  
Savas Georgiou ◽  
Franz Hillenkamp

2013 ◽  
Vol 32 (1) ◽  
pp. 1-7 ◽  
Author(s):  
Dimitri Batani ◽  
Tommaso Vinci ◽  
Davide Bleiner

AbstractLaser pulses are largely used for processing and analysis of materials and in particular for nano-particle synthesis. This paper addresses fundamentals of the generation of nano-materials following specific thermodynamic paths of the irradiated material. Computer simulations using the hydro code MULTI and the SESAME equation of state have been performed to follow the dynamics of a target initially heated by a short laser pulse over a distance comparable to the metal skin depth.


Author(s):  
R. Gronsky

The phenomenon of clustering in Al-Ag alloys has been extensively studied since the early work of Guinierl, wherein the pre-precipitation state was characterized as an assembly of spherical, ordered, silver-rich G.P. zones. Subsequent x-ray and TEM investigations yielded results in general agreement with this model. However, serious discrepancies were later revealed by the detailed x-ray diffraction - based computer simulations of Gragg and Cohen, i.e., the silver-rich clusters were instead octahedral in shape and fully disordered, atleast below 170°C. The object of the present investigation is to examine directly the structural characteristics of G.P. zones in Al-Ag by high resolution transmission electron microscopy.


Author(s):  
M. Grant Norton ◽  
C. Barry Carter

Pulsed-laser ablation has been widely used to produce high-quality thin films of YBa2Cu3O7-δ on a range of substrate materials. The nonequilibrium nature of the process allows congruent deposition of oxides with complex stoichiometrics. In the high power density regime produced by the UV excimer lasers the ablated species includes a mixture of neutral atoms, molecules and ions. All these species play an important role in thin-film deposition. However, changes in the deposition parameters have been shown to affect the microstructure of thin YBa2Cu3O7-δ films. The formation of metastable configurations is possible because at the low substrate temperatures used, only shortrange rearrangement on the substrate surface can occur. The parameters associated directly with the laser ablation process, those determining the nature of the process, e g. thermal or nonthermal volatilization, have been classified as ‘primary parameters'. Other parameters may also affect the microstructure of the thin film. In this paper, the effects of these ‘secondary parameters' on the microstructure of YBa2Cu3O7-δ films will be discussed. Examples of 'secondary parameters' include the substrate temperature and the oxygen partial pressure during deposition.


Author(s):  
R. Herrera ◽  
A. Gómez

Computer simulations of electron diffraction patterns and images are an essential step in the process of structure and/or defect elucidation. So far most programs are designed to deal specifically with crystals, requiring frequently the space group as imput parameter. In such programs the deviations from perfect periodicity are dealt with by means of “periodic continuation”.However, for many applications involving amorphous materials, quasiperiodic materials or simply crystals with defects (including finite shape effects) it is convenient to have an algorithm capable of handling non-periodicity. Our program “HeGo” is an implementation of the well known multislice equations in which no periodicity assumption is made whatsoever. The salient features of our implementation are: 1) We made Gaussian fits to the atomic scattering factors for electrons covering the whole periodic table and the ranges [0-2]Å−1 and [2-6]Å−1.


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