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"Hooper, Joseph"
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Structural and bonding properties of small hydrocarbons inside Ca(squarate)-metal organic framework: ab-initio study
Ab−initio Molecular Dynamic (MD) and static Density Functional Theory (DFT) are used to study the structural and bonding properties of small hydrocarbon adsorbates inside Ca(squarate)−Metal Organic Framework (MOF). Car−Parrinello Molecular Dynamics (CPMD) simulations of a single−adsorbate−MOF structure are used to obtain the adsorbate most preferred site of adsorption. This site is used for further structural and bonding analyses using static DFT. Unlike many other MOFs; we found that the Ca(squarate)−MOF physisorbs and weakly binds small adsorbate molecules such as C 2 H 2 , C 2 H 4 , C 2 H 6 , and C 3 H 8 with no observed charge transfer and minimal hybridization with the MOF orbitals. No covalent bonding is seen near the preferred site of adsorption. The calculated binding energies decreases as the H content in the adsorbate molecule increases and found to be −18.71 kJ/mol, −18.14 kJ/mol, −15.75 kJ/mol, and—4.47 kJ/mol for C 2 H 2 , C 2 H 4 , C 2 H 6 , and C 3 H 8 molecules respectively. Density of State (DOS) and a Crystal Orbital Overlap Population (COOP) analyses show that the interactions between C and H atoms in the molecule and C and O atoms in the MOF have antibonding characteristics near the Fermi level. These antibonding states tend to destabilize the overall electronic structure of the combined adsorbate/MOF system and hence decrease the binding energies of these adsorbates inside the MOF.
Journal Article
Low temperature synthesis of carbon nanotube-reinforced aluminum metal composite powders using cryogenic milling
Carbon nanotube (CNT)-reinforced aluminum composite powders were synthesized by cryogenic milling. The effects of different milling parameters and CNT contents on the structural characteristics and mechanical properties of the resulting composite powders were studied. Detailed information on powder morphology and the dispersion and structural integrity of the CNTs is crucial for many powder consolidation methods, particularly cold spray, which is increasingly utilized to fabricate metal-based nanocomposites. While all of the produced composite powders exhibited particle sizes suitable for spray applications, it was found that with increasing CNT content, the average particle size decreased and the size distribution became narrower. The dispersion of CNTs improved with milling time and helped to maintain a small Al grain size during cryogenic milling. Although extensive milling allowed for substantial grain size reduction, the process caused notable CNT degradation, leading to a deterioration of the mechanical properties of the resulting composite.
Journal Article
Advanced charting techniques for high probability trading
An all-star team of trading experts describe an array of proven charting techniques to bolster any portfolio *Purchase includes a 30-day free trial of Advanced Charting Platinum Selections software and generate returns of up to 3 percent per day.* There are over 175 recognized technical indicators that have been developed by traders, mathematicians and chartists to help traders make more accurate predictions about the price movements of individual securities, asset classes and the market as a whole. These technical indicators are never used alone but applied in various combinations. Developed and tested over many years by the authors, the highly reliable strategies described in this book combine a variety of charting techniques, which, when used in conjunction, have been shown to yield extremely accurate predictions about a stock's movements through the four cyclical phases of Birth, Momentum, Exhaustion and Death. You get powerful strategies, using a range of technical indicators, guaranteed to significantly improve your ability to more accurately-and profitably-time buy, hold and sell decisions The material in this book is currently required reading for the authors' prestigious Compound Stock Earnings (CSE) charting course Includes a special link to the main CSE website where you'll find a treasure trove of additional content, updates, and instructional videos and podcasts Provides valuable insights and information about the Covered Call approach to trading, a style about which Joseph R. Hooper is an internationally recognized expert.
eBook
Quantum molecular dynamics simulations of the oxidation of aluminum-cyclopentadienyl clusters
We report Car-Parrinello molecular dynamics simulations of the oxidation of aluminum-cyclopentadienyl clusters currently being considered as novel fuels or energetic materials. These clusters contain a small aluminum core surrounded by a single organic ligand layer. The aromatic cyclopentadienyl ligands form a very strong bond with surface Al atoms, giving rise to a stable organometallic cluster which crystallizes into a low-symmetry solid-state material. Our calculations of an isolated cluster in oxygen show minimal reaction between the ligand and oxygen molecules at simulation temperatures of 300 and 1000 K. Rather, in all cases O2 diffuses through the ligand barrier, splits into atomic oxygen upon contact with the aluminum, and forms an amorphous aluminum oxide core. Loss of aluminum-ligand units, as expected from bond strength calculations, is not observed except following significant oxidation. We present simple metrics to quantitatively compare the steric barrier of the outer ligands that limits the oxidation process.
Journal Article
Advanced Charting Techniques for High Probability Trading
\"An all-star team of trading experts describe an array of proven charting techniques to bolster any portfolio. There are over 175 recognized technical indicators that have been developed by traders, mathematicians and chartists to help traders make more accurate predictions about the price movements of individual securities, asset classes and the market as a whole. These technical indicators are never used alone but applied in various combinations. Developed and tested over many years by the authors, the highly reliable strategies described in this book combine a variety of charting techniques, which, when used in conjunction, have been shown to yield extremely accurate predictions about a stock's movements through the four cyclical phases of Birth, Momentum, Exhaustion and Death\"--Provided by publisher
Book
Mobile Activism and Psychogeographic Inspirations: A Qualitative Study on iOS App Making with College Students
A significant portion of scholarly literature explores the ways that youth activists (aged 15-24 years old) appropriate mobile apps—compact software designed and developed to run on a smartphone or tablet—to address social issues. However, there is a paucity of research literature that reveals the ways that they engage in the production of socially useful mobile apps. As a way to address the lack of research on this area of mobile app making, this project draws on a participatory media research design to explore the experience of co-producing an iOS mobile phone app with college students working toward social change in their campus community. The project collects qualitative data from semi-structured interviews and design artifacts. The data is analyzed using the Situationist International’s concept of psychogeography, which ordinarily focuses on place-based investigations. As a means of analysis, psychogeography facilitates a creative method of moving throughout the data corpus while mapping recurring patterns, themes, and ideas that relate to the production of app making with participants. The findings in this study are marked by a disruptive event that caused the project to rupture before ending as methodologically planned. Nevertheless, what appeared as a moment of rupture became an opportunity for capture as the participatory media research project revealed variations on modes of ethico-political praxis that oriented the production of a mobile app that serves local marginalized interests. For researchers seeking to participate with activist-oriented youth on the production of mobile app projects, disruption can become a generative asset that opens up creative spaces and passageways for producing socially useful mobile apps at the grassroots level.
Dissertation
Ab-Initio Studies into Intrinsic Piezoelectric Properties
We formulate a method of understanding the intrinsic piezoelectric properties of a perovskite system on an atomistic level using a density functional theory (DFT) methodology implemented into the electron density code CASTEP. First we consider the basic unary perovskites; barium titanate, lead titanate and potassium niobate. Geometry optimisation, elastic compliance, linear response, and simulated strain calculations are performed and the polarisation and piezoelectric coefficients are calculated. We then define the partial piezoelectric coefficient and demonstrate a way to generate the electron density shift, two novel methods in the understanding of intrinsic piezoelectric properties. We then study the binary piezoelectric lead titanate, performing the same calculations and analysing the electron density shift and partial piezoelectric coefficient in order to identify new features of binary systems, the equalisation between basic perovskite units and the \"sawtooth\" bonding asymmetry between the different B-site ions. Then the feasibility of these calculations is evaluated for bismuth ferrite, a material showing multiferroic properties. The conversion of non-orthonormal lattice axes to a cartesian coordinate system is addressed. We discuss the phonon and electric field calculations, and evaluate what is and is not possible. We find that structural and electron calculations are possible and report the optimised geometry, the elastic compliance, total electron density and spin maps, and the electron density shifts. We identify the symmetry, non-locality, and rotational modes in rhombohedral bismuth ferrite and suggest future research based on these properties.
Dissertation
Recap of Advanced Charting
When we follow the rules explained in this manual, over time we will reach higher levels of mastering this complicated subject. This chapter recaps what we have learned about Advanced Charting.
Book Chapter