Browsing Department of Materials Science and Engineering by Title
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Browsing Department of Materials Science and Engineering by Title
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(Massachusetts Institute of Technology, 2013)This thesis focuses broadly on characterizing and understanding the Li intercalation mechanism in phospho-olivines, namely LiFePO₄ and Li(Fe,Mn)PO₄, using first-principles calculations. Currently Li-ion battery technology ...
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(Massachusetts Institute of Technology, 2000)
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A first principles investigation of transitional metal doping in lithium battery cathode materials (Massachusetts Institute of Technology, 1999)
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(Massachusetts Institute of Technology, 2010)We compute the energy of a large number of oxidation reactions of 3d transition metal oxides using the generalized gradient approximation (GGA) to density functional theory and GGA+ U method. Two substantial contributions ...
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(Massachusetts Institute of Technology, 2008)To facilitate commercialization of fuel cell systems as alternative energy device, the enhancement of Pt electrocatalysts activity is one of the most challenging issues. The first step to the solution is elucidating ...
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(Massachusetts Institute of Technology, 2009)The exact structure of layered inorganic nanotubes is difficult to determine, but this information is vital to using atomistic calculations to predict nanotube properties. A multi-walled nanotube with a circular cross ...
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(Massachusetts Institute of Technology, 2001)
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(Massachusetts Institute of Technology, 2009)(cont.) We apply our approach to several paradigmatic systems: spin state splittings and structural properties of Fe2 and other small molecules as well as the addition-elimination reactions of hydrogen and methane on FeO+ ...
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(Massachusetts Institute of Technology, 1998)
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(Massachusetts Institute of Technology, 2013)Self-assembly of block copolymer thin-films may provide an inexpensive alternative to patterning lithographic features below the resolution limits of traditional optical methods. Block copolymers (BCPs) are polymers made ...
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(Massachusetts Institute of Technology, 1977)
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(Massachusetts Institute of Technology, 2001)The rheological behavior and microstructure of semi-solid aluminum alloys were studied using a novel apparatus, the Drop Forge Viscometer (DFV). The viscometer determines force from the curvature of displacement data ...
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(Massachusetts Institute of Technology, 1956)
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(Massachusetts Institute of Technology, 1997)
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(Massachusetts Institute of Technology, 1993)
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(Massachusetts Institute of Technology, 2004)(cont.) given slurry was proposed. The fluidity of rheocast A357 alloy slurries was contrasted with the fluidity of superheated liquid. Rheocast slurries with 37% solid particles,were found to flow about half as far as ...
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(Massachusetts Institute of Technology, 1991)
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(Massachusetts Institute of Technology, 1954)
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(Massachusetts Institute of Technology, 1977)
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(Massachusetts Institute of Technology, 2004)Molecular organic semiconductors have recently been applied widely as active layers in electronic and optoelectronic devices such as organic field-effect transistors and light-emitting devices. The use of organic active ...
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