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Electronic structure and optical properties of layered ternary transition-metal carbides and nitrides
(University of Missouri--Kansas City, 2011-05-20)
The electronic structure and optical properties of Ti3AC2 (A=Al, Si, Ge), Ti2AC
(A=Al, Ga, In; Si, Ge, Sn; P, As; S), Ti2AlN, M2AlC (M=V, Nb, Cr) and Tan+1AlCn (n=1~4)
have been studied using first-principles orthogonalized ...
Pressure-induced phase transitions in select molybdates and tungstates
(2013)
Mao-Bell and symmetric diamond anvil cells were used to study the effect of
high-pressure on a series of tungstate and molybdate compounds. The experimental
techniques of powder x-ray diffraction and Raman spectroscopy ...
Electronic structure and partial charge distribution of doxorubicin under different molecular environments
(2014)
Doxorubicin (trade name Adriamycin, abbreviated DOX) is a well-known anthracyclic chemotherapeutic used in treating a variety of cancers including acute
leukemia, lymphoma, multiple myeloma, and a range of stomach, lung, ...
Electronic, Optical, Structural, and Elastic Properties of MAX Phases and (Cr2Hf)2Al3C3
(2014-09-30)
The term “MAX phase” refers to a very interesting and important class of
layered ternary transition-metal carbides and nitrides with a novel combination of both
metal- and ceramic-like properties that have made these ...
Ab initio computational applications of electronic structure and spectroscopic Properties of bulk Crystalline materials
(2013)
Boron-rich compounds and elemental boron have amazing chemical, physical and mechanical properties, but puzzling structures. The uncertain stoichiometric value of foreign elements in boron-rich compounds greatly influences ...
The Bulk and Interfacial Electronic and Chemical Structure of Amorphous Hydrogenated Boron Carbide
(2013)
The chemical and electronic structure, as related to the surface, interface and bulk of amorphous hydrogenated boron carbide (a-BxC:Hy), is of interest in neutron detection and microelectronics. This dissertation investigates ...
The Effect of Thermal Annealing on Phase Separation in Organic Photovoltaic Films
(2015)
In our research, we used amplitude modulated atomic force microscopy to
study the effect of thermal annealing on the morphology of four recently developed
bulk heterojunction photovoltaic films. Each cell was fabricated ...
Generalized Koszul Properties of Commutative Local Rings
(2014)
We study several properties of commutative local rings that generalize the
notion of Koszul algebra. The properties are expressed in terms of the Ext algebra
of the ring, or in terms of homological properties of powers ...
Neutron Response Vectorization and Optimization of Moderating Neutron Spectrometers for Active Interrogation
(University of Missouri–Kansas City, 2015)
The detection of special nuclear material (SNM) is no trivial task; the low activity of isotopes such as 235U and the ease of shielding make their passive detection virtually impossible in the maritime environment. Active ...
Modeling and Design of a Silicon-Based High-Pressure 3HE Replacement Neutron Detector
(University of Missouri–Kansas City, 2015)
3He has stood as a major isotope used for neutron detection for many years. Due to national concerns of a possible 3He shortage, significant effort has been put forth, in the form of 3He alternative research, to push the ...
Model Creation and Electronic Structure Calculation of Amorphous Hydrogenated Boron Carbide
(2015)
Boron-rich solids are of great interest for many applications, particularly,
amorphous hydrogenated boron carbide (a-BC:H) thin films are a leading candidate for
numerous applications such as: heterostructure materials, ...
Structure and Mechanical Properties of Cement and Intermetallic Compounds via ab-initio Simulations
(2015)
Calcium silicate hydrates comprise a class of minerals formed synthetically during Portland cement hydration or naturally through various geological processes. The importance of these minerals is immense since they are the ...
Structure and Physical Properties of Hydrogrossular Mineral Series
(2015)
The mineral hydrogrossular series (Ca₃Al₂(SiO4)₃₋ₓ(OH) ₄ₓ; 0 ≤ x ≤ 3) are important water bearing minerals found in the upper and lower part of the Earth’s mantle. They are vital to the planet’s hydrosphere under different ...
Using WISE to Find Obscured AGN Activity in SDSS Mergers and Interactions
(University of Missouri–Kansas City, 2015)
In simulations, major encounters between gas-rich galaxies are predicted to drive gas to the
centers of interacting and merging systems triggering new star formation (SF) and fueling
an active galactic nucleus (AGN). ...
Modeling aerosols formed in the ring pack of a reciprocating piston
(University of Missouri--Kansas City, 2012-05-17)
The hydrocarbon emissions of an internal combustion engine are directly correlated with the engine's oil consumption. This oil consumption is associated with reverse blow-by, a condition in which gases flow past the ring-pack ...
Ab initio calculations of mechanical, thermodynamic and electronic structure properties of mullite, Iota-alumina and boron carbide
(University of Missouri--Kansas City, 2012-05-22)
The alumino-silicate solid solution series (Al₄₊₂xSi₂-2xO₁₀-x) is an important class of ceramics. Except for the end member (x=0), Al₂SiO₅ the crystal structures of the other phases, called mullite, have partially occupied ...
A multi-scale modeling study of the impact of land surface heterogeneity on the convective boundary layer in the U.S. Midwest
(University of Missouri--Kansas City, 2011-06-03)
Rain fed agricultural land is the predominant land cover class in the U.S. Midwest. The interannual and sub-seasonal climate variability of this region are determined by atmospheric oscillations on multiple temporal and ...
The role of the tribal elder in teaching calculus through an ethnomathematics lens
(University of Missouri--Kansas City, 2012-04-19)
In action research study I was the classroom teacher of high school-aged African American students participating in the six-week summer portion of the Reach Up program. The purpose of Reach Up is to help students improve ...
Ab initio computational applications to complex biomolecular systems
(University of Missouri--Kansas City, 2012-01-17)
A series of biomaterial related systems ― including water and DNA molecules ―
have been studied using ab initio (first-principles) methods. By investigating the properties
of water as the preliminary step, the hydrogen ...
Current sensing atomic force microscopy study of aging mechanism of the nafion membranes due to thermal annealing
(University of Missouri--Kansas City, 2011-09-14)
Proton transport properties of Nafion 212 and Nafion 115 membranes have been
studied using current sensing atomic force microscopy to reveal changes of the ionic domains
and the local ionic conductivity distribution in ...