Origin of gap states at initial stage oxidation on Si(001)2×1:H and water adsorption on Si(001)2×1: A theoretical study

2002 ◽  
Vol 81 (10) ◽  
pp. 1827-1829 ◽  
Author(s):  
Masahiko Nishida
Keyword(s):  
Water Adsorption ◽  
Theoretical Study ◽  
Initial Stage ◽  
Gap States

scholarly journals Numerical modeling of strong effects on ionospheric plasma

2021 ◽  
pp. 165-169
Author(s):  
В.В. Медведев ◽  
В.Е. Еремичева ◽  
А.Д. Колин
Keyword(s):  
Anthropogenic Disturbance ◽  
Ionospheric Plasma ◽  
Theoretical Study ◽  
Nuclear Explosion ◽  
Physicochemical Processes ◽  
Neutral Gas ◽  
The Earth ◽  
Initial Stage ◽  
Subsequent Calculation ◽  
Electromagnetic Disturbances

В работе представлены постановка задачи начальной стадии мощного антропогенного возмущения ионосферы для последующего вычисления высотно-временного распределения ионосферно-магнитосферных параметров. Данная задача имеет огромное значение в плане теоретического исследования таких возмущений на математических моделях изучаемой среды. Такие возмущения сопровождаются различными физико-химическими процессами, которые к настоящему времени плохо изучены. Основным источником сильных возмущений ионосферы являются мощные электромагнитные излучения (сильная солнечная вспышка, мощный ядерный взрыв). Такие электромагнитные возмущения могут вызывать сильнейшие глобальные перераспределение всей атмосферы Земли, которые к настоящему времени недостаточно надежно изучены, и одним из способов их изучения, является математическое моделирование. Приводится результаты вычислительного эксперимента начальной стадии ионизации нейтрального газа, которые могут помочь в дальнейшем исследовании такого процесса. The paper presents the formulation of the problem of the initial stage of a powerful anthropogenic disturbance of the ionosphere for the subsequent calculation of the altitude-time distribution of the ionosphere-magnetospheric parameters. This problem is of great importance in terms of the theoretical study of such perturbations on mathematical models of the studied environment. Such disturbances are accompanied by various physicochemical processes, which are poorly understood by now. The main source of strong disturbances in the ionosphere are powerful electromagnetic radiation (strong solar flare, powerful nuclear explosion). Such electromagnetic disturbances can cause the strongest global redistribution of the entire atmosphere of the Earth, which by now have not been sufficiently studied reliably, and one of the ways to study them is mathematical modeling. The results of a computational experiment of the initial stage of ionization of a neutral gas are presented, which can help in further investigation of such a process.

Fluorination of the Hydroxylated α-Al2O3 (0001) and Its Implications for Water Adsorption: A Theoretical Study

2016 ◽  
Vol 120 (18) ◽  
pp. 9713-9718 ◽  
Author(s):  
Jonas Wirth ◽  
Julia Schacht ◽  
Peter Saalfrank ◽  
Beate Paulus
Keyword(s):  
Water Adsorption ◽  
Theoretical Study ◽  
Α Al2o3

Theoretical study of the initial stage of InN growth on cubic zirconia (111) substrates

2012 ◽  
Vol 7 (3) ◽  
pp. 207-210 ◽  
Author(s):  
Yao Guo ◽  
Shigeru Inoue ◽  
Atsushi Kobayashi ◽  
Jitsuo Ohta ◽  
Hiroshi Fujioka
Keyword(s):  
Theoretical Study ◽  
Cubic Zirconia ◽  
Initial Stage

The water adsorption on the Si(111) 7 × 7 surface: a theoretical study

1997 ◽  
Vol 388 (1-3) ◽  
pp. 220-230 ◽  
Author(s):  
Hafid Ezzehar ◽  
Louise Stauffer ◽  
Jérôme Leconte ◽  
Christian Minot
Keyword(s):  
Water Adsorption ◽  
Theoretical Study

scholarly journals Adsorption and dielectric properties of natural composite polymer wood

2020 ◽  
pp. 30-32
Author(s):  
V. V. Saushkin ◽  
N. N. Matveev ◽  
N. YU. Evsikova ◽  
N. S. Kamalova
Keyword(s):  
Water Adsorption ◽  
Adsorption System ◽  
Natural Polymer ◽  
Composite Polymer ◽  
Dielectric Parameters ◽  
Initial Stage ◽  
State Of Water ◽  
Adsorption Of Water ◽  
Migration Polarization ◽  
Natural Composite

The state of water in a natural polymer, wood, was studied by its eff ect on the dielectric parameters and currents of thermostimulated depolarization (TSD) of the adsorption system. It has been shown that surface wood hydroxyls do not play a signifi cant role in the adsorption of water, which occurs mainly in pores of varying volume. Interpretation of the behavior of the TSD currents showed that at the initial stage the polarization linearly depends on the water adsorption value, then this linearity is violated, which we associate with the onset of migration polarization.

scholarly journals Экспериментально-теоретическое исследование эволюции атомной структуры высокоэнтропийных сплавов на основе Fe, Cr, Ni, Mn и Co при термическом и радиационном старении

2020 ◽  
Vol 62 (3) ◽  
pp. 339
Author(s):  
Е.А. Мешков ◽  
И.И. Новоселов ◽  
А.В. Янилкин ◽  
С.В. Рогожкин ◽  
А.А. Никитин ◽  
...  
Keyword(s):  
Atom Probe Tomography ◽  
Theoretical Study ◽  
Atom Probe ◽  
Quantum Mechanical ◽  
Atomistic Modeling ◽  
Modeling Methods ◽  
Local Ordering ◽  
Initial Stage ◽  
Cocrfeni Alloy ◽  
First Time

The comprehensive experimental and theoretical study of the processes of local ordering of multicomponent alloys was carried out. Experimental techniques included atom-probe tomography and measurement of electrical resistivity during isochronal annealing. The theoretical study was carried out by atomistic modeling methods. The evolution of the system was described in the framework of the multiscale paradigm which is based on quantum-mechanical calculations. The initial stage of the decomposition of a solid solution of CoCrFeNi alloy with the formation of Ni4Cr and Ni2Cr precipitations was demonstrated for the first time by the employed approach.

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