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Full-Text Articles in Physical Sciences and Mathematics
Phonon Dynamics Of Alkali Metals In The Hcp Lattice Structure, Jake Christensen
Phonon Dynamics Of Alkali Metals In The Hcp Lattice Structure, Jake Christensen
Physics Capstone Projects
An Embedded-Atom-Method model that is successful at describing the vibrational properties of alkali metals in the BCC crystal structure is applied to the HCP structure. Phonon dispersion curves, density of states, and Debye temperatures are calculalated for Li, Na, K, Rb, and Cs. Comparison of BCC, FCC and HCP Debye temperatures show that BCC is the preferred structure at higher temperatures, which agrees with experiment.
The Role Of The Hydrolysis And Zirconium Concentration On The Structure And Anticorrosion Performances Of A Hybrid Silicate Sol-Gel Coating, Maikki Cullen, Mary O’Sullivan, Aditya Madhan Kumar, Ahmad A. Sorour, Brendan Duffy, Mohamed Oubaha
The Role Of The Hydrolysis And Zirconium Concentration On The Structure And Anticorrosion Performances Of A Hybrid Silicate Sol-Gel Coating, Maikki Cullen, Mary O’Sullivan, Aditya Madhan Kumar, Ahmad A. Sorour, Brendan Duffy, Mohamed Oubaha
Articles
In sol-gel chemistry, hydrolysis is the key step in the formation of the reactive hydroxide groups that are responsible for the formation of inorganic networks via the occurrence of condensation reactions. Though previous studies have investigated the effect of the hydrolysis conditions on the structure of organically modified silicates (ormosils), no study, to our knowledge, has investigated this variable on the structure of hybrid materials prepared by combinations of an ormosil and a transition metal (TM). Here, we propose to investigate this effect in a hybrid material composed of 3-trimethoxysilylpropylmethacrylate and a zirconium complex. To also highlight the effects of …
An Investigation Of Atomic Structures Derived From X-Ray Crystallography And Cryo-Electron Microscopy Using Distal Blocks Of Side-Chains, Lin Chen, Jing He, Salim Sazzed, Rayshawn Walker
An Investigation Of Atomic Structures Derived From X-Ray Crystallography And Cryo-Electron Microscopy Using Distal Blocks Of Side-Chains, Lin Chen, Jing He, Salim Sazzed, Rayshawn Walker
Computer Science Faculty Publications
Cryo-electron microscopy (cryo-EM) is a structure determination method for large molecular complexes. As more and more atomic structures are determined using this technique, it is becoming possible to perform statistical characterization of side-chain conformations. Two data sets were involved to characterize block lengths for each of the 18 types of amino acids. One set contains 9131 structures resolved using X-ray crystallography from density maps with better than or equal to 1.5 Å resolutions, and the other contains 237 protein structures derived from cryo-EM density maps with 2-4 Å resolutions. The results show that the normalized probability density function of block …