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Journal articles on the topic 'Density of metastable atoms'

Author: Grafiati

Published: 4 June 2021

Last updated: 4 February 2022

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1

Feng, P. X., D. Andruczyk, B. W. James, K. Takiyama, S. Namba, and T. Oda. "High-density metastable helium atoms produced by Penning-type discharges." Plasma Sources Science and Technology 12, no. 2 (2003): 142–47. http://dx.doi.org/10.1088/0963-0252/12/2/303.

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2

Do, Hoang Tung, Vitezslav Stranak, and Rainer Hippler. "Time resolved tunable diode laser absoption spectroscopy of dual High Power Impulse Magnetron Sputtering discharges." International Journal of Modern Physics: Conference Series 32 (January 2014): 1460337. http://dx.doi.org/10.1142/s2010194514603378.

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Time-resolved measurements have been performed during dual High Power Impulse Magnetron Sputtering (dual-HiPIMS) with two cathodes in a closed magnetic field configuration. The dual-HiPIMS system, operated at a repetition frequency f = 100 Hz and duty cycle of 1 %, was equipped with two different metallic targets (Ti, Cu). The effect of a delay between subsequent pulses on argon excited atom density and temperature was investigated by means of tunable diode laser absorption spectroscopy. It is shown that the peak densities of pulses vary strongly with the delay. We observed an enhancement of m

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3

Иванов, В. А. "Барьерный разряд в гелии при средних давлениях. Спектроскопия послесвечения". Журнал технической физики 126, № 3 (2019): 247. http://dx.doi.org/10.21883/os.2019.03.47361.185-18.

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AbstractThe decaying plasma that is produced by the dielectric barrier discharge (DBD) in helium across a cylindrical tube at a pressure of helium 1–40 Тorr has been spectroscopically investigated. The radical difference between the nature of the barrier discharge afterglow and longitudinal pulse discharge afterglow at the same plasma electron density has been demonstrated. It has been shown that this effect is due to the abnormally low density of metastable He(2^1 S _0, ^3 S _1) atoms in the plasma that is produced by DBD. In such an experiment, it is possible to observe a purely recombinatio

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4

Иванов, В. А., та Ю. Э. Скобло. "Гелиевое послесвечение без метастабильных частиц". Журнал технической физики 127, № 12 (2019): 890. http://dx.doi.org/10.21883/os.2019.12.48681.156-19.

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The results of a spectroscopic study of the afterglow of a pulsed barrier discharge in helium with a small admixture of neon, which creates a plasma with a low density of metastable particles, are discussed. The early stage of the afterglow of such a discharge is free of processes involving metastables and has a purely recombination nature. The characteristics of the afterglow are interpreted on the basis of the model taking into account vibrational kinetics and dissociative recombination of molecular ions. A comparison of experimental data and model solutions for collisional-radiative recombi

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5

Xue, J., J. E. Cooley, and R. S. Urdah. "Density of metastable atoms in the plume of a low-pressure argon microplasma." Journal of Physics D: Applied Physics 45, no. 36 (2012): 365201. http://dx.doi.org/10.1088/0022-3727/45/36/365201.

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6

Franek, James, Samuel Nogami, Mark Koepke, Vladimir Demidov, and Edward Barnat. "A Computationally Assisted Ar I Emission Line Ratio Technique to Infer Electron Energy Distribution and Determine Other Plasma Parameters in Pulsed Low-Temperature Plasma." Plasma 2, no. 1 (2019): 65–76. http://dx.doi.org/10.3390/plasma2010007.

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In the post-transient stage of a 1-Torr pulsed argon discharge, a computationally assisted diagnostic technique is demonstrated for either inferring the electron energy distribution function (EEDF) if the metastable-atom density is known (i.e., measured) or quantitatively determining the metastable-atom density if the EEDF is known. This technique, which can be extended to be applicable to the initial and transient stages of the discharge, is based on the sensitivity of both emission line ratio values to metastable-atom density, on the EEDF, and on correlating the measurements of metastable-at

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7

Ricard, A., C. Barbeau, A. Besner, et al. "Production of metastable and resonant atoms in rare-gas (He, Ne, Ar) radio-frequency and microwave-sustained discharges." Canadian Journal of Physics 66, no. 8 (1988): 740–48. http://dx.doi.org/10.1139/p88-122.

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Radial density distributions of excited atoms in plasma columns of helium, neon, and argon, sustained by a travelling electromagnetic surface wave, are examined as a function of frequency over the range 200 kHz – 2450 MHz. This investigation is conducted using an end-on measurement method. At low frequencies (<50 MHz), these radial distributions show a maximum at the axis (J0 Bessel-like behavior), whereas as frequency is increased beyond 50 MHz up to 2450 MHz, the radial distributions flatten and finally exhibit a minimum at the axis with a maximum close to the tube wall. Comparison with a

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8

Xian-Ping, Feng, D. Andruczyk, B. W. James, K. Takiyama, S. Namba, and T. Oda. "Effects of discharge current and voltage on the high density of metastable helium atoms." Chinese Physics 12, no. 5 (2003): 495–501. http://dx.doi.org/10.1088/1009-1963/12/5/306.

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9

Tadokoro, Masahiro, Hajime Hirata, Nobuhiko Nakano, Zoran Lj Petrović, and Toshiaki Makabe. "Two-dimensional density distribution of metastable atoms in an inductively coupled plasma in Ar." Physical Review E 58, no. 6 (1998): 7823–30. http://dx.doi.org/10.1103/physreve.58.7823.

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10

Khan, Muhammad Ibrahim, Muhammad Aslam Khan, Muhammad Iqbal Zaman, Najeeb ur Rehman, Asad Masood, and Naqib Ullah. "Enhancement of O-atom density through collisions with Ne by laser-produced plasma in Ne–O2 gas mixtures and possible energy transfer mechanism." International Journal of Modern Physics B 33, no. 18 (2019): 1950198. http://dx.doi.org/10.1142/s0217979219501984.

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Laser-produced plasma in Ne and O2 gases and Ne–O2 gas mixture with different O2 fractions have been investigated. The plasma were produced by focusing a laser beam of 5 ns pulse duration from a Nd:YAG laser ([Formula: see text] = 1064 nm) through a lens of 5 cm focal length into the chamber filled with different gas species at different pressures. Possible enhancement in O-atom densities through collisions with metastable Ne atoms by the laser-created plasma in Ne–O2 gas mixtures and possible energy transfer mechanism was studied. Study of energy transfer through collisions was carried out by

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11

Jia, Hui Ling, Zhao Xi Li, and Xue Jie Liu. "First-Principles Study of Electronic Structure of V-Si-N Nanocomposite Thin Film." Advanced Materials Research 476-478 (February 2012): 2374–78. http://dx.doi.org/10.4028/www.scientific.net/amr.476-478.2374.

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In this paper, the method for plane wave ultrasoft pseudopotentials of first-principles is adopted to calculate electronic structures of three models including VN crystal, the absence of V atoms and the replacement of V atoms by Si atoms by the VASP software package. On the basis of the optimized VN’s lattice constant, the energy band structures and density of states(DOS) curves of those three models are analyzed. The results show that the 3d electrons of V atoms determine that VN crystal is a conductor. The crystal lack of V atoms forms a peak caused by the empty position near the Fermi level

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12

Sakurai, Takeki, Tomoya Kubota, Yuuichirou Takahara, Yukio Inoue, and Hirokazu Hori. "Density of Ar Metastable Atoms on the Discharge Tube Wall Measured by Evanescent Laser Spectroscopy." Japanese Journal of Applied Physics 38, Part 2, No. 5B (1999): L590—L592. http://dx.doi.org/10.1143/jjap.38.l590.

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13

Golubovskii, Yu B., V. A. Maiorov, R. V. Kozakov, S. Solyman, G. Stockhausen, and C. Wilke. "On the density of metastable and resonance atoms in a stratified positive column in neon." Journal of Physics D: Applied Physics 34, no. 13 (2001): 1963–73. http://dx.doi.org/10.1088/0022-3727/34/13/307.

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14

STAMPFL, C., J. NEUGEBAUER, and M. SCHEFFLER. "THEORETICAL EVIDENCE FOR UNUSUAL BONDING GEOMETRY AND PHASE TRANSITIONS OF Na ON Al(001)." Surface Review and Letters 01, no. 02n03 (1994): 213–19. http://dx.doi.org/10.1142/s0218625x94000217.

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We performed density-functional theory calculations for Na on Al(001) for various coverages from a very low concentration up to a monolayer. From the results we predict that for low coverages the Na atoms occupy on-surface hollow sites which is the stable geometry, but for higher coverages this is only metastable; the stable geometry is reached through a phase transition to a condensed c(2×2) structure where the Na atoms are in surface substitutional sites (contrary to previously suggested models). The mechanism which actuates the island formation with a substitutional geometry is described an

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15

Fitzsimmons, Amelia, and Mariusz Klobukowski. "Basis set effects in simple compounds of heavy rare gases." Canadian Journal of Chemistry 91, no. 9 (2013): 894–901. http://dx.doi.org/10.1139/cjc-2012-0510.

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Rare-gas hydrides of the type HRgX (Rg = Xe or Rn and X = F, Cl, Br, or I) have been studied using Møller–Plesset and density functional theory methods. Six model core potentials and their associated basis sets were used, with relativistic effects included implicitly. The effects of polarization, correlating, and diffuse basis functions were investigated. Molecular geometries of the metastable hydrides and transition states along the decomposition pathway were computed together with corresponding energies of formation and decomposition. The results of quantum theory of atoms in molecules analy

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16

EL-KORAMY, R. A. "TRANSVERSAL MAGNETIC FIELD EFFECT ON THE POPULATIONS OF EXCITED STATES OF HELIUM ATOMS IN NANOSECOND DISCHARGE." International Journal of Modern Physics B 18, no. 03 (2004): 395–408. http://dx.doi.org/10.1142/s0217979204018503.

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Mechanism's effect of transversal magnetic field on the populations of excited states of He atoms has been investigated. Furthermore, the dependencies of complete absorption of He(I) spectral line transition 33P0,1,2–23S1 on optical plasma density are calculated by numerical methods taking into consideration the fine-structure and Zeeman splitting schemes of the spectral lines. Using the calculated values and experimental results, the dynamics of the populations of He(I) metastable states 23S1 of the He nanosecond discharge are discussed.

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17

Baran, Volodymyr, та Thomas F. Fässler. "Li vs. Zn substitution in Li17Si4 – Li17–ε–δZnεSi4 connecting the structures of Li21Si5 and Li17Si4". Zeitschrift für Naturforschung B 75, № 1-2 (2020): 91–96. http://dx.doi.org/10.1515/znb-2019-0157.

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AbstractBinary lithium silicides play a crucial role in high energy density anode materials for rechargeable batteries. During charging processes of Si anodes Li15Si4 is formed as a metastable phase which has been stabilized through Li by Mg, Zn and Al substitution. Here we investigate Li by Zn substitution in the lithium-richest phase Li17Si4 and report on the particular site preference of Zn atoms since Zn is substituting Li atoms only on one out of 13 possible lithium sites. This site preference shows an interesting relation to the closely related phase Li21Si5 and thus Li17−ε−δZnεSi4 with

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18

LEE, KEEYUNG. "THE POSSIBILITY OF TWO MAGNETIC STATES IN Co19 CLUSTER." Surface Review and Letters 03, no. 01 (1996): 453–56. http://dx.doi.org/10.1142/s0218625x96000814.

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The possibility of more than one magnetic state has been explored for the face-centered-cubic Co19 cluster using the local spin-density linear combination of the Gaussian orbital method. Fixed moment calculations were done and the converged states were used as an input potential to obtain self-consistent solutions. Two different magnetic states with the magnetic moment per atom of 1.00 μB and 2.05 μB were obtained. The high-spin moment state has lower energy and is considered the ground state, and the low spin moment a metastable state. The local magnetic moment of the center, first- and secon

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19

Tan, Xin, Yu Qing Li, Xue Jie Liu, and Yan Hui Xie. "Structural and Mechanical Properties of Ti1-XAlxN Studied by Ab Initio." Advanced Materials Research 383-390 (November 2011): 3331–37. http://dx.doi.org/10.4028/www.scientific.net/amr.383-390.3331.

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Ti1-xAlxN films have been shown to exhibit superior mechanical and thermal properties and are thus widely used for industrial applications. We have studied the structural and mechanical properties of fcc-TiN and fcc-Ti1-xAlxN solid solution (x=0.25 and x=0.5), using first principles calculations based on the density functional theory. These calculations provide the lattice parameter, total energy, cohesive energy, elastic constants, etc, of the TiN lattice and when Al atoms replace Ti atoms in the TiN lattice. With regard to the cohesive energy of TiN and fcc-Ti1-xAlxN, we can obtain that the

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20

Schwarz, Ulrich, Rodrigo Castillo, Julia M. Hübner, et al. "The untypical high-pressure Zintl phase SrGe6." Zeitschrift für Naturforschung B 75, no. 1-2 (2020): 209–16. http://dx.doi.org/10.1515/znb-2019-0197.

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AbstractThe binary strontium germanide SrGe6 was synthesized at high-pressure high-temperature conditions of approximately 10 GPa and typically 1400 K before quenching to ambient conditions. At ambient pressure, SrGe6 decomposes in a monotropic fashion at T = 680(10) K into SrGe2 and Ge, indicating its metastable character. Single-crystal X-ray diffraction data indicate that the compound SrGe6 adopts a new monoclinic structure type comprising a unique three-dimensional framework of germanium atoms with unusual cages hosting the strontium cations. Quantum chemical analysis of the chemical bondi

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21

Pavlík, J., J. Glosík, M. Šícha, M. Tichý, and P. Potoček. "A Probe Method for Determination of time Evolution of Metastable Atoms Density in a Flowing Afterglow Plasma." Contributions to Plasma Physics 30, no. 3 (1990): 437–48. http://dx.doi.org/10.1002/ctpp.2150300311.

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22

Niermann, B., M. Böke, N. Sadeghi, and J. Winter. "Space resolved density measurements of argon and helium metastable atoms in radio-frequency generated He-Ar micro-plasmas." European Physical Journal D 60, no. 3 (2010): 489–95. http://dx.doi.org/10.1140/epjd/e2010-00166-8.

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23

REDFIELD, DAVID. "DEFECTS IN AMORPHOUS Si:H — THE REHYBRIDIZED TWO-SITE (RTS) MODEL." Modern Physics Letters B 05, no. 14n15 (1991): 933–39. http://dx.doi.org/10.1142/s0217984991001167.

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A comprehensive model for the metastable defects in amorphous Si:H is developed by adapting a recent theory for several kinds of defects in crystalline semiconductors, particularly the DX center in AlGaAs. This new model accounts in a unified way for all of the major observations of defects induced by light, quenching, doping, or compensation; as well as for their anneal. The stretched-exponential time dependence of defect densities with light exposure or annealing, and saturation of the density are also explained. This model is based on foreign atoms rather than on breaking of Si-Si bonds, an

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24

Alili, Tahar, Abdelaziz Bouchikhi, and Mohamed Rizouga. "Investigations of argon and neon abnormal glow discharges in the presence of metastable atom density with fluid model." Canadian Journal of Physics 94, no. 8 (2016): 731–39. http://dx.doi.org/10.1139/cjp-2015-0692.

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In this manuscript an investigation of a DC argon and neon abnormal glow discharges with metastable atom density is presented. The values of pressure lie between 133.32 and 330 Pa, and the voltage ranges from 250 to 400 V in the case of argon gas. In the case of neon gas, the pressure has a value of 399.92 Pa (3 Torr) and the voltage ranges from 300 to 500 V. In this framework, an analysis of abnormal glow discharge characteristics is carried out in the case of input data taken from the Boltzmann equation in the multi-term approximation, and in the case of input data obtained from BOLISG+ code

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25

Chen, Chih-ming, and Sinn-wen Chen. "Electromigration effects upon the low-temperature Sn/Ni interfacial reactions." Journal of Materials Research 18, no. 6 (2003): 1293–96. http://dx.doi.org/10.1557/jmr.2003.0177.

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Sn/Ni interfacial reactions at 100 °C with and without the passage of electric currents were studied by using the Sn/Ni/Sn sandwich-type reaction couples. The Ni3Sn4 and metastable NiSn3 phases were formed at both the Sn/Ni and Ni/Sn interfaces in the couples reacted at 100 °C without the passing through of electric currents. Metallographical analyses revealed that the metastable NiSn3 phase nucleated and grew at the grain boundary, and the growth rate of the NiSn3 phase was much faster than that of the Ni3Sn4 phase. For the couples with the passage of electric currents of 4 × 103 A/cm2 densit

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26

Grigorian, G. M., N. A. Dyatko, and I. V. Kochetov. "Experimental and theoretical study of the radial density distribution of metastable atoms in a dc glow discharge in neon." Physics of Plasmas 24, no. 7 (2017): 073503. http://dx.doi.org/10.1063/1.4990429.

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27

Widmann, E., I. Sugai, T. Yamazaki, et al. "Phase and density dependence of the delayed annihilation of metastable antiprotonic helium atoms in gas, liquid, and solid helium." Physical Review A 51, no. 4 (1995): 2870–80. http://dx.doi.org/10.1103/physreva.51.2870.

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28

Boisvert, J. S., N. Sadeghi, J. Margot, and F. Massines. "Influence of the excitation frequency on the density of helium metastable atoms in an atmospheric pressure dielectric barrier discharge." Journal of Applied Physics 121, no. 4 (2017): 043302. http://dx.doi.org/10.1063/1.4974301.

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29

Bouchikhi, Abdelaziz. "Physical proprieties of DC glow discharges in a neon–argon gas mixture." Canadian Journal of Physics 96, no. 1 (2018): 62–70. http://dx.doi.org/10.1139/cjp-2017-0120.

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This paper reports a detailed study of 90% Ne – 10% Ar gas mixture DC glow discharge at low pressure, wherein 15 chemical reactions are considered. The second-order fluid model is used. The parameters of particle transport and their rate coefficients strictly depend on mean electron energy. In the framework of the local electric field approximation, we have developed an analytical expression of the drift velocity of positive argon ions in a neon gas [Formula: see text], which is in good agreement with the experimental results, and serves to give best results than the results obtained using [Fo

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30

Huang, Xue Yun, Ting Ting Zhang, and Xi Zhang. "Modeling of Direct Current Atmospheric Pressure Argon Discharge in Two-Dimensional." Advanced Materials Research 852 (January 2014): 597–601. http://dx.doi.org/10.4028/www.scientific.net/amr.852.597.

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The finite element computational package COMSOL multiphysics were used to simulate a bar plate dc discharge in argon at atmospheric pressure. The basic plasma properties such as electron density, ion density, metastable atom density, electron temperature, electric voltage and electric field were studied. The current-voltage (I-V) characteristic of numerical model is in good agreement well with experimental data. This model is simple and insightful as a theoretical tool for argon atmospheric pressure discharges.

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31

Bogaerts, A., R. D. Guenard, B. W. Smith, J. D. Winefordner, W. W. Harrison, and R. Gijbels. "Three-dimensional density profiles of argon metastable atoms in a direct current glow discharge: experimental study and comparison with calculations." Spectrochimica Acta Part B: Atomic Spectroscopy 52, no. 2 (1997): 219–29. http://dx.doi.org/10.1016/s0584-8547(96)01578-9.

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32

Desjardins, E., M. Laurent, A. Durocher-Jean, et al. "Time-resolved study of the electron temperature and number density of argon metastable atoms in argon-based dielectric barrier discharges." Plasma Sources Science and Technology 27, no. 1 (2018): 015015. http://dx.doi.org/10.1088/1361-6595/aaa5d9.

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33

Naghshara, H., S. Sobhanian, S. Khorram, and N. Sadeghi. "Measured density of copper atoms in the ground and metastable states in argon magnetron discharge correlated with the deposition rate." Journal of Physics D: Applied Physics 44, no. 2 (2010): 025202. http://dx.doi.org/10.1088/0022-3727/44/2/025202.

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34

Aravindh, S. Assa, Sakari Pallaspuro, Wei Cao та ін. "Effects of Alloying Elements on the Stability of ω-Fe Phase in Steel: A Density Functional Theory Study". Materials Science Forum 1016 (січень 2021): 1246–51. http://dx.doi.org/10.4028/www.scientific.net/msf.1016.1246.

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Recent advances in transmission electron microscopy (TEM) in respect of structural characterization down to atomic scale have enabled confirmation of stabilization of long ignored hexagonal omega (ω) phase in steel. The presence of ω phase is suggested to increase the strength of steel, and one of the factors concerning its stabilization is enrichment caused by the presence of certain solute atoms in the nanometer sized areas. Here, we report a density functional theory study conducted on a (3×3×2) ω –Fe supercell by introducing alloying elements in such a way that at a particular instant, eit

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35

Douat, Claire, Issaad Kacem, Nader Sadeghi, Gérard Bauville, Michel Fleury, and Vincent Puech. "Space-time resolved density of helium metastable atoms in a nanosecond pulsed plasma jet: influence of high voltage and pulse frequency." Journal of Physics D: Applied Physics 49, no. 28 (2016): 285204. http://dx.doi.org/10.1088/0022-3727/49/28/285204.

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36

Batyrev, I. G. "Prediction of amorphous structure and stability of P-N and N-CO extended solids under pressure." MRS Advances 4, no. 2 (2019): 95–101. http://dx.doi.org/10.1557/adv.2019.116.

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ABSTRACTThe amorphous structures of poly-CO, P-N and N-CO extended solids at high pressures were predicted using density functional theory (DFT) and evolutionary algorithms employing variable and fixed concentrations of components methods. Compression of random network of poly-CO up to 45 GPa results in elimination of small rings of the amorphous network. The amorphous structure with stoichiometry N9P was found to be dynamically stable (no imaginary frequencies in phonon-dispersion curve), stable relative transformation to solid nitrogen and phosphorus, but metastable according to convex hull

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37

WANG, XIANGRONG, and MUFU YAN. "EFFECT OF COBALT AND NICKEL ON THE STRUCTURAL STABILITY FOR FE3C: FIRST-PRINCIPLES CALCULATIONS." International Journal of Modern Physics B 23, no. 06n07 (2009): 1135–40. http://dx.doi.org/10.1142/s0217979209060580.

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In this paper, the effect of Co and Ni in AerMet100 steel on the structure stability for Fe 3 C was investigated using first-principles calculations based on generalized gradient approximation (GGA) density function theory. The internal positions of atoms within the unit cell were optimized and the ground state properties such as lattice parameter, the formation energy and density of states for Fe 3 C structure without and with Co or Ni (( Fe , M )3 C , M = Fe , Co , Ni ) were calculated. The calculated results show that the equilibrium structural parameters of Fe 3 C agree with the experiment

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38

Torres, Vitor J. B., J. Coutinho, and Patrick R. Briddon. "Local Vibrational Modes of Zn-H-P in GaP, InP and ZnTe." Defect and Diffusion Forum 261-262 (January 2007): 31–36. http://dx.doi.org/10.4028/www.scientific.net/ddf.261-262.31.

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We have investigated the hydrogenation of the zinc acceptor in GaP and InP, and of the phosphorus acceptor in ZnTe, by computer modeling. We used a density-functional supercell code and pseudopotentials to deal with the core electrons. However zinc 3d electrons were explicitly taken to be valence electrons. We have determined the relaxed atomic geometry for seven hydrogen sites. We have found that, in the lowest total energy configuration, hydrogen sits in a bond centered position between zinc and arsenic atoms in all GaP, InP and ZnTe semiconductors and is bonded to the phosphorus atom. We fo

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39

Hamdan, Ahmad, Joëlle Margot, François Vidal, and Jean-Pierre Matte. "Characterization of helium surface-wave plasmas at intermediate pressures (5–50 Torr): temperatures and density of metastable atoms in the 23s level." Journal of Physics D: Applied Physics 48, no. 3 (2014): 035202. http://dx.doi.org/10.1088/0022-3727/48/3/035202.

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40

Giannini, C., E. Carlino, L. Tapfer, F. Höhnsdorf, J. Koch, and W. Stolz. "Structural Properties of (GaIn)(AsN)/GaAs MQW Structures Grown by MOVPE." MRS Internet Journal of Nitride Semiconductor Research 5, S1 (2000): 259–65. http://dx.doi.org/10.1557/s1092578300004361.

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In this work, we investigate the structural properties of (GaIn)(AsN)/GaAs multiple quantum wells (MQW) grown at low temperature by metalorganic vapour phase epitaxy. The structural properties, in particular the In- and N-incorporation, the lattice strain (strain modulation), the structural perfection of the metastable (GaIn)(AsN) material system and the structural quality of the (GaIn)(AsN)/GaAs interfaces are investigated by means of high-resolution x-ray diffraction, transmission electron microscopy (TEM), and secondary ion mass spectrometry. We demonstrate that (GaIn)(AsN) layers of high s

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41

Saccone, Marco, Antti Siiskonen, Franisco Fernandez-Palacio, et al. "Halogen bonding stabilizes acis-azobenzene derivative in the solid state: a crystallographic study." Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 73, no. 2 (2017): 227–33. http://dx.doi.org/10.1107/s2052520617003444.

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Crystals oftrans- andcis-isomers of a fluorinated azobenzene derivative have been prepared and characterized by single-crystal X-ray diffraction. The presence of F atoms on the aromatic core of the azobenzene increases the lifetime of the metastablecis-isomer, allowing single crystals of thecis-azobenzene to be grown. Structural analysis on thecis-azobenzene, complemented with density functional theory calculations, highlights the active role of the halogen-bond contact (N...I synthon) in promoting the stabilization of thecis-isomer. The presence of a long aliphatic chain on the azobenzene uni

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42

Laniel, Dominique, Elena Sebastiao, Cyril Cook, Muralee Murugesu, and Serge Desgreniers. "Nitrogen-Rich Carbon Nitrides as Novel High Energy Density Materials." Acta Crystallographica Section A Foundations and Advances 70, a1 (2014): C758. http://dx.doi.org/10.1107/s2053273314092419.

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Nitrogen-rich carbon nitride materials hold the promise of constituting novel high density energetic materials if recoverable as metastable polymeric networks of single-bonded atoms at ambient conditions. Upon transition to a lowest-energy configuration, this high pressure synthesized nitrogen-heavy material would release a large amount of energy. In this work, two nitrogen-rich molecular precursors, namely, 5'-bis(1H-tetrazolyl)amine (BTA) and cyanuric triazide (CTA), were studied in their condensed states at elevated pressures and room temperature. Powder x-ray diffraction using synchrotron

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Bruna, P. J., and F. Grein. "Theoretical Study of the Vertical Electronic Spectra, Electron-Spin g-Factors and Hyperfine Coupling Constants of the (C2v) Cyclic Radicals C3+, Si3+, C3− and Si3−." Zeitschrift für Physikalische Chemie 217, no. 3 (2003): 265–88. http://dx.doi.org/10.1524/zpch.217.3.265.20466.

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AbstractThe vertical transition energies and Δg-values of cyclic C3+, Si3+ (X2B2), C3− (12A1, metastable) and Si3− (X2A1) are studied with ROHF MOs, multireference (MRDCI) wavefunctions and 6-311+G(2d) basis sets. Si3− has at least eight bound states. For each radical, the in-plane components of the g shift, Δgyy and Δgzz (with gii = ge + Δgii), have similar negative values (about −1200 ppm for C3+, C3− and about −8000 ppm for Si3+, Si3−). The Δgxx’s are larger in magnitude, negative for C3+, Si3+ (−11000 and −72000 ppm) but positive for C3−, Si3− (8000 and 165000 ppm). The hyperfine coupling

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Fedorenkova, L. I. "Phase and structural transformations in copper and its alloys under the electrolytic discharge." Journal of Physics and Electronics 26, no. 2 (2018): 33–36. http://dx.doi.org/10.15421/331820.

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Copper and its alloy were treated in an electrolytic plasma formed in the boron-containing electrolyte under the action of discharge in order to obtain a diffusion coating with enhanced hardening characteristics and the structural changes in the surface layer of the metal that occur in this case were studied. As a result of processing in electrolytic plasma, characterized by high heating and cooling rates, a diffusion layer was formed on the surface of copper and an alloy based on it (brass). The layer contains nanosized inclusions of copper borides, ternary compounds Cu-B-H, Cu-B-O concentrat

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Markovic, Vidosav, Sasa Gocic, and Suzana Stamenkovic. "Homogeneous gas phase models of relaxation kinetics in neon afterglow." Facta universitatis - series: Physics, Chemistry and Technology 5, no. 1 (2007): 33–44. http://dx.doi.org/10.2298/fupct0701033m.

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The homogeneous gas phase models of relaxation kinetics (application of the gas phase effective coefficients to represent surface losses) are applied for the study of charged and neutral active particles decay in neon afterglow. The experimental data obtained by the breakdown time delay measurements as a function of the relaxation time td (?) (memory curve) is modeled in early, as well as in late afterglow. The number density decay of metastable states can explain neither the early, nor the late afterglow kinetics (memory effect), because their effective lifetimes are of the order of milliseco

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Eslami, E., and N. Sadeghi. "Absolute intensity calibration of emission spectra: application to the forbidden 346 nm nitrogen line for N(2P°) metastable atoms density measurement in flowing afterglow." European Physical Journal Applied Physics 43, no. 1 (2008): 93–102. http://dx.doi.org/10.1051/epjap:2008097.

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Logan, A. David. "Microstructural determination of a metastable phase during rhodium oxidation." Proceedings, annual meeting, Electron Microscopy Society of America 47 (August 6, 1989): 262–63. http://dx.doi.org/10.1017/s0424820100153282.

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In heterogeneous catalysis, oxidation of the catalyst is frequently used as a means of removing impurities from the active surface. However, bulk oxidation severely alters the microstructure of the metal due to atom repositioning and valence changes. Transformation of Rh to Rh2O3 causes the lattice structure to change from fcc to hexagonal with a resulting volume expansion of 90% due to density changes. This is the reported cause for fracturing of crystallites and variations in reactivity. In this study, microstructural changes during progressive oxidation of 5 nm metal Rh particles have been

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Song, Qing Gong, Ling Ling Song, Hui Zhao, Tong Wei, and Jian Hai Kang. "The Structural Stabilities and Electronic Properties of Orthorhombic and Rhombohedral LaCrO₃ — A First-Principles Study." Advanced Materials Research 622-623 (December 2012): 734–38. http://dx.doi.org/10.4028/www.scientific.net/amr.622-623.734.

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The equilibrium structures of orthorhombic LaCrO3(O-LaCrO3) and rhombohedral LaCrO3(R-LaCrO3) crystals were investigated by using the plane-wave self consistent field (PWSCF) method based on density functional theory (DFT). The optimized lattice parameters for both phases are in accordance with experimental results reported in literature, confirming the reliability of LSDA+U scheme used in the calculations. We have quantificationally investigated the binding energies and electronic properties of these two types of LaCrO3crystals. The negative total energy and binding energies indicate the grou

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Yu, Xiao-xiang, Ahmet Gulec, Christopher M. Andolina, et al. "In Situ Observations of Early Stage Oxidation of Ni-Cr and Ni-Cr-Mo Alloys." Corrosion 74, no. 9 (2018): 939–46. http://dx.doi.org/10.5006/2807.

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Results of in situ transmission electron microscopy experiments on the early stage oxidation of Ni-Cr and Ni-Cr-Mo alloys are reported. An epitaxial rock-salt oxide with compositions outside the conventional solubility limits initiated at the surface of both alloys, progressing by a layer-by-layer mode. Kirkendall voids were found in Ni-Cr alloys near the metal/oxide interface, but were not seen in the Ni-Cr-Mo. The voids initiated in the oxide then diffused to the metal/oxide interface, driven by the misfit stresses in the oxide. A sequential oxide initiation was observed in NiCr alloys: rock

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Wosylus, Aron, Yurii Prots, Ulrich Burkhardt, Walter Schnelle, Ulrich Schwarz, and Yuri Grin. "High-pressure Synthesis of Strontium Hexasilicide." Zeitschrift für Naturforschung B 61, no. 12 (2006): 1485–92. http://dx.doi.org/10.1515/znb-2006-1204.

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The binary phase SrSi6 was prepared at a pressure of 10(1) GPa and a temperature of 1520(150) K. Single crystal refinements and powder diffraction data reveal that the compound crystallizes in the orthorhombic crystal system (Cmcm, a=4.4692(4), b=10.256(1), c=11.698(1)Å ) and is isopointal to EuGa2Ge4 and EuSi6. Exothermic decomposition of the compound into SrSi2 and Si at 797 K and ambient pressure indicates that the compound is a metastable high-pressure phase. Analysis of the chemical bonding using the electron localization function and calculated charge densities reveals covalent bonding w

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