Browsing by Subject "Molecular dynamics"
Now showing items 1-9 of 9
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Atomic Scale Studies of the Stress Effects on Defect Kinetics and Damage Evolution of Irradiated Fe (2018-01-11)Irradiation of the materials with neutrons or energetic particles creates a significant number of point defects and nucleates extended defects, such as dislocations and voids. These defects result in the changes of material ...
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(Texas A&M University. Libraries, 1990)Semi empirical computational methods can be used in conjunction with low frequency infrared and Raman spectra of gas -phase molecules to obtain information about large amplitude vibrations which are important for understanding ...
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(Texas A&M University. Libraries, 1979)In an attempt to determine the forces responsible for the conformations of small ring molecules the spectra of a series of ring molecules have been recorded and analyzed. Theoretical calculations were carried out to determine ...
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(2009-05-15)Nanocomposites refer to the materials in which the defining characteristic size of inclusions is in the order of 10-100nm. There are several types of nanoparticle inclusions with different structures: metal clusters, ...
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(2019-07-16)Reducing carbon dioxide emissions in an attempt to control global warming is a critical issue being addressed at global level today. One method of regulating the amount of COv2 in the atmosphere is by re-injecting COv2 ...
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(2013-08-05)Ion irradiation has been known to be an effective tool for structure modification with micro/nano-scale precision. Recently, demonstrations have been made for nano-machining, such as the cutting and welding of carbon ...
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(Texas A&M University. Libraries, 1979)
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(Texas A&M University. Libraries, 1985)The Si/NiSi2 (lll) interface is of both fundamental and technological interest: From the fundamental point of view, it is the best characterized of all semiconductor/metal interfaces, with two well-determined geometries ...
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(2011-10-21)The Equation of State (EoS) of asymmetric nuclear matter has been explored through the study of mid-rapidity fragment dynamics from the 35 MeV/u $^{70}$Zn $^{70}$Zn, $^{64}$Zn $^{64}$Zn, and $^{64}$Ni $^{64}$Ni systems. ...