Dependency of f states in fluorite-type XO2 (X = Ce, Th, U) on the stability and electronic state of doped transition metals

2019 ◽  
Vol 21 (47) ◽  
pp. 25962-25975 ◽  
Author(s):  
Qian Ding ◽  
Ruizhi Qiu ◽  
Bingyun Ao
Keyword(s):  
Transition Metals ◽  
Electronic State ◽  
Oxidation State ◽  
Quantum Mechanical ◽  
Fluorite Type ◽  
The Stability

Transition metals (TMs) exhibit different quantum-mechanical oxidation state (OSqm) population when doped into fluorite-type CeO2, ThO2 and UO2.

scholarly journals Quantum-mechanical hydration plays critical role in the stability of firefly oxyluciferin isomers: State-of-the-art calculations of the excited states

2020 ◽  
Vol 153 (20) ◽  
pp. 201103
Author(s):  
Yoshifumi Noguchi ◽  
Miyabi Hiyama ◽  
Motoyuki Shiga ◽  
Hidefumi Akiyama ◽  
Osamu Sugino
Keyword(s):  
Excited States ◽  
State Of The Art ◽  
Critical Role ◽  
Quantum Mechanical ◽  
The Stability

Fundamental and Technological Aspects of Actinide Oxide Pyrochlores: Relevance For Immobilization Matrices

1999 ◽  
Vol 556 ◽  
Author(s):  
P. E. Raison ◽  
R. G. Haire ◽  
T. Sato ◽  
T. Ogawa
Keyword(s):  
Elevated Temperatures ◽  
Materials Science ◽  
Oxidation Potential ◽  
Oxygen Stoichiometry ◽  
X Ray Diffraction ◽  
X Ray ◽  
Oxidation Reduction ◽  
Reduction Cycle ◽  
Fluorite Type ◽  
The Stability

AbstractPolycrystalline pyrochlore oxides consisting of selected f elements (lanthanides and actinides) and Zr and Hf have been prepared and characterized. Characterization to date has been primarily by X-ray diffraction, both at room and at elevated temperatures. Initial studies concentrated on selected lanthanides and the Np, Pu and Am analogs (reported here) but have been extended to the other actinide elements through Cf. Data from these studies have been used to establish a systematic correlation regarding the fundamental materials science of these particular pyrochlores and structurally related fluorite-type dioxides. In addition to pursuing their materials science, we have addressed some potential technological applications for these materials. Some of the latter concern: (1) immobilization matrices; (2) materials for transmutation concepts; and (3) special nuclear fuel forms that can minimize the generation of nuclear wastes. For f elements that display both a III and IV oxidation state in oxide matrices, the synthetic path required for producing the desired pyrochlore oxide is dictated by their pseudo-oxidation potential the stability of the compound towards oxygen uptake. For the f elements that display an oxidationreduction cycle for pyrochlore-dioxide solid solution, X-ray diffraction can be used to identify the composition in the oxidation-reduction cycle, the oxygen stoichiometry and/or the composition. This paper concentrates on the Np, Pu and Am systems, and addresses the above aspects, the role of the crystal matrix in controlling the ceramic products as well as discussingsome custom-tailored materials.

scholarly journals An analysis on Quantum mechanical Stability of Regular Polygons on a Point Base Using Heisenberg Uncertainty Principle

2021 ◽  
Vol 9 (10) ◽  
pp. 74-79
Author(s):  
Anurag Chapagain
Keyword(s):  
Quantum Mechanics ◽  
Uncertainty Principle ◽  
Stability Problem ◽  
Classical Mechanics ◽  
Quantum Mechanical ◽  
Heisenberg Uncertainty Principle ◽  
Heisenberg Uncertainty ◽  
Degree Of Stability ◽  
The Stability ◽  
Heisenberg's Uncertainty Principle

Abstract: It is a well-known fact in physics that classical mechanics describes the macro-world, and quantum mechanics describes the atomic and sub-atomic world. However, principles of quantum mechanics, such as Heisenberg’s Uncertainty Principle, can create visible real-life effects. One of the most commonly known of those effects is the stability problem, whereby a one-dimensional point base object in a gravity environment cannot remain stable beyond a time frame. This paper expands the stability question from 1- dimensional rod to 2-dimensional highly symmetrical structures, such as an even-sided polygon. Using principles of classical mechanics, and Heisenberg’s uncertainty principle, a stability equation is derived. The stability problem is discussed both quantitatively as well as qualitatively. Using the graphical analysis of the result, the relation between stability time and the number of sides of polygon is determined. In an environment with gravity forces only existing, it is determined that stability increases with the number of sides of a polygon. Using the equation to find results for circles, it was found that a circle has the highest degree of stability. These results and the numerical calculation can be utilized for architectural purposes and high-precision experiments. The result is also helpful for minimizing the perception that quantum mechanical effects have no visible effects other than in the atomic, and subatomic world. Keywords: Quantum mechanics, Heisenberg Uncertainty principle, degree of stability, polygon, the highest degree of stability

Bonding in Cyclophosphazenes: Quantum and Experimental Support for DEWAR′s Island Model

1976 ◽  
Vol 31 (5) ◽  
pp. 677-679 ◽  
Author(s):  
J.-P. Faucher ◽  
J.-F. Labarre ◽  
R. A. Shaw
Keyword(s):  
Faraday Effect ◽  
Island Model ◽  
Quantum Mechanical ◽  
Quantum Mechanical Calculations ◽  
Ring Systems ◽  
Experimental Support ◽  
Charge Distributions ◽  
The Stability

Quantum mechanical calculations for a number of cyclophosphazenes reveal that transannular bonding and antibonding interactions contribute considerably to the stability and conformation of these PN ring systems. Charge distributions are only in agreement with the island theory; the latter is confirmed by Faraday effect measurements.

A Quantum Mechanical Investigation of Positively Charged Defects In SiO2 Thin Film Devices

1996 ◽  
Vol 446 ◽  
Author(s):  
Antonio M. Ferreira ◽  
Shashi P. Kama ◽  
Charles P. Brothers ◽  
Robert D. Pugh ◽  
Babu B. K. Singaraju ◽  
...  
Keyword(s):  
Thin Film ◽  
Quantum Mechanical ◽  
Hartree Fock ◽  
Sio2 Thin Film ◽  
Mechanical Investigation ◽  
Moller Plesset ◽  
The Stability ◽  
Charged Defects ◽  
Positively Charged ◽  
Thin Film Devices

AbstractAb initio Hartree-Fock and second-order Möller-Plesset theory calculations have been performed to investigate the stability of triply-coordinated 0+ centers in the Si-O-Si network of amorphous SiO2. The calculations reveal that the H+ ion binds with a bridging O center to form a very stable (De > 6 eV) trivalent O complex. Capture of an electron by the positively charged protonated complex, however, is predicted to immediately lead to the dissociation of the O-H bond. A relatively weaker, but stable bond is also formed between the bridging O atom and a +SiH3 ion.

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