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Full-Text Articles in Engineering

Pin-Wise Loading Optimization And Lattice–To-Core Coupling For Isotopic Management In Light Water Reactors, Hermilo Hernandez Noyola Dec 2010

Pin-Wise Loading Optimization And Lattice–To-Core Coupling For Isotopic Management In Light Water Reactors, Hermilo Hernandez Noyola

Doctoral Dissertations

A generalized software capability has been developed for the pin-wise loading optimization of light water reactor (LWR) fuel lattices with the enhanced flexibility of control variables that characterize heterogeneous or blended target pins loaded with non-standard compositions, such as minor actinides (MAs). Furthermore, this study has developed the software coupling to evaluate the performance of optimized lattices outside their reflective boundary conditions and within the realistic three-dimensional core-wide environment of a LWR.

The illustration of the methodologies and software tools developed helps provide a deeper understanding of the behavior of optimized lattices within a full core environment. The practical applications …


Molecular Simulations Of Adsorption And Diffusion In Metal-Organic Frameworks (Mofs), Ruichang Xiong May 2010

Molecular Simulations Of Adsorption And Diffusion In Metal-Organic Frameworks (Mofs), Ruichang Xiong

Doctoral Dissertations

Metal-organic frameworks (MOFs) are a new class of nanoporous materials that have received great interest since they were first synthesized in the late 1990s. Practical applications of MOFs are continuously being discovered as a better understanding of the properties of materials adsorbed within the nanopores of MOFs emerges. One such potential application is as a component of an explosive-sensing system. Another potential application is for hydrogen storage.

This work is focused on tailoring MOFs to adsorb/desorb the explosive, RDX. Classical grand canonical Monte Carlo (GCMC) and molecular dynamic (MD) simulations have been performed to calculate adsorption isotherms and self-diffusivities of …