A Computational Method To Characterize Framework Aluminum in Aluminosilicates

A computational method to characterize framework aluminum in aluminosilicates.

Zeolites are aluminosilicates that are used in many applications involving catalysis, separation, and gas storage. Unlike the Si/Al ratio of their framework, the location of the aluminum atoms is not well described. It has proved difficult to establish the local structure surrounding the aluminum sites by diffraction methods, since aluminum and silicon are very close in X-ray scattering power a...

Computational Approach To Characterize

Basin Hopping Graph: a computational framework to characterize RNA folding landscapes

MOTIVATION RNA folding is a complicated kinetic process. The minimum free energy structure provides only a static view of the most stable conformational state of the system. It is insufficient to give detailed insights into the dynamic behavior of RNAs. A sufficiently sophisticated analysis of the folding free energy landscape, however, can provide the relevant information. RESULTS We introdu...

New method to characterize a machining system: application in turning

Many studies simulates the machining process by using a single degree of freedom springmass sytem to model the tool stiffness, or the workpiece stiffness, or the unit toolworkpiece stiffness in modelings 2D. Others impose the tool action, or use more or less complex modelings of the efforts applied by the tool taking account the tool geometry. Thus, all these models remain two-dimensional or so...

Towards a framework to characterize ubiquitous software projects

Context: Ubiquitous Computing (or UbiComp) represents a paradigm in which information processing is thoroughly integrated into everyday objects and activities. From a Software Engineering point of view this development scenario brings new challenges in tailoring or building software processes, impacting current software technologies. However, it has not yet been explicitly shown how to characte...