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Journal articles on the topic 'Atomo'

Author: Grafiati

Published: 4 June 2021

Last updated: 27 April 2022

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1

Ovchinnikov, Yuri B. "A perspective on integrated atomo-photonic waveguide circuits." Applied Physics Letters 120, no. 1 (2022): 010502. http://dx.doi.org/10.1063/5.0069334.

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2

Pérez-Yáñez, Sonia, Garikoitz Beobide, Oscar Castillo, Javier Cepeda, Antonio Luque, and Pascual Román. "Base nitrogenatuak konposatu metal-organiko porotsuak eraikitzeko baliabide: zenbait adibide." EKAIA Euskal Herriko Unibertsitateko Zientzia eta Teknologia Aldizkaria, no. 32 (November 7, 2017): 113–24. http://dx.doi.org/10.1387/ekaia.17843.

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Azken urteotan konposatu metal-organiko porotsuek (MOFs, metal-organic frameworks, eta SMOFs, supramolecular metal-organic frameworks ingelesez) hazkunde nabarmena izan dute. Konposatu horien egitura kristalinoak estekatzaile organikoen (molekula organikoak) bidez lotutako nodo ez-organikoez (atomo edo kluster metalikoak) eraikita daude. Nukleobaseak gai dira estekatzaile organiko gisa aritu eta material metal-organiko porotsuak emateko, koordinazio- (MOF) zein hidrogeno-loturen (SMOF) bitartez.

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Niaura, A. "Kai kurių vaizdinių priemonių panaudojimas, aktyvinant mokinius fizikos pamokoje." Psichologija 2 (January 6, 2016): 51–70. http://dx.doi.org/10.15388/psichol.1962.2.8850.

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Sumanus vaizdinių priemonių panaudojimas fizikos pamokose visada aktyvina mokinius. Mokiniai dažnai mažai dėmesio kreipia į praktinę fizikos pusę, nes mokyklose retai atliekamos praktinės arba grafinės apklausos. Darbe analizuojamos skirtingos praktinės ir grafinės apklausos formos, jų derinimas su savarankiškais mokinių darbais. Autorius parodo, kaip mokiniai aktyvinami, panaudojant klasės lentą, užrašus apie fiziką ir analogijas, tiriamo reiškinio palyginimą su panašiais reiškiniais. Pateikiamas universalaus prietaiso, skirto kai kuriems kintamos elektros srovės, elektromagnetinių svyravimų

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Grba, Marko. "Modeli atoma u 20. i 21. stoljeću." Kemija u industriji 68, no. 5-6 (2019): 209–16. http://dx.doi.org/10.15255/kui.2019.003.

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O modelu atoma razmišljalo se još od antičke Grčke pa sve do polovine 20. stoljeća te bi se lako moglo pomisliti da se o atomima zna sve što se uopće može znati. Mnoge činjenice usvoje se već u srednjoj školi, a studenti kemije ili fizike zapravo malo mare kako se to točno gibaju elektroni u atomu ili odakle atomima masa. Doista, kako to da atomi uopće postoje, koji su preduvjeti postojanja atoma onakvih kakvi jesu? U članku je dan pregled osnovnih spoznaja o atomu danas, povijest modela atoma u proteklih stotinjak godina kao i nekih još neodgovorenih pitanja.

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Espitia-Rico, Miguel J., and John H. Díaz-Forero. "Cálculo computacional de las propiedades magnéticas de la superred MnO/ZnO." TecnoLógicas 19, no. 36 (2016): 41. http://dx.doi.org/10.22430/22565337.586.

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En este trabajo se realizaron cálculos por primeros principios basados en la Teoría del Funcional de la Densidad, con el fin de investigar las propiedades estructurales, electrónicas y magnéticas de la superred MnO/ZnO en la estructura wurtzita. Se utilizó el método Ondas Plana Aumentadas y Linealizadas Potencial Completo (FP LAPW), tal como está implementado en el código computacional Wien2k. Los efectos de intercambio y de correlación entre los electrones fueron tratados por medio de la Aproximación de Gradiente Generalizado (GGA) de Pedew, Burke y Ernzerhof (PBE). El análisis de las propied

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Zeng, Xiangguo, Ying Sheng, Huayan Chen, and Tixin Han. "The Definition Method and Optimization of Atomic Strain Tensors for Nuclear Power Engineering Materials." Science and Technology of Nuclear Installations 2016 (2016): 1–9. http://dx.doi.org/10.1155/2016/4649870.

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A common measure of deformation between atomic scale simulations and the continuum framework is provided and the strain tensors for multiscale simulations are defined in this paper. In order to compute the deformation gradient of any atomm, the weight function is proposed to eliminate the different contributions within the neighbor atoms which have different distances to atomm, and the weighted least squares error optimization model is established to seek the optimal coefficients of the weight function and the optimal local deformation gradient of each atom. The optimization model involves mor

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7

ZOU, YAN. "QUANTUM ENTANGLEMENT IN THE SYSTEM OF ATOMS IN BELL STATE INTERACTING WITH THE TWO-MODE ODD–EVEN ENTANGLED COHERENT FIELD." International Journal of Quantum Information 08, no. 03 (2010): 493–504. http://dx.doi.org/10.1142/s0219749910006010.

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We studied the entanglement properties of the system consisting of two atoms in Bell states interacting with the two-mode odd-even entangled coherent field by utilizing the complete quantum theory. The influences of the initial Bell state of the atoms, the intensity of field, the coupling strength of interaction between atoms and the initial degree of the entanglement between the two-mode fields on the atomic entropy and on negativity are discussed by using numerical calculations. It turns out that the two atoms can keep their initial maximal entangled state while the two-atom and the two-mode

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8

Kim, Junki, Daeho Yang, Seung-hoon Oh, and Kyungwon An. "Coherent single-atom superradiance." Science 359, no. 6376 (2017): 662–66. http://dx.doi.org/10.1126/science.aar2179.

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Superradiance is a quantum phenomenon emerging in macroscopic systems whereby correlated single atoms cooperatively emit photons. Demonstration of controlled collective atom-field interactions has resulted from the ability to directly imprint correlations with an atomic ensemble. Here we report cavity-mediated coherent single-atom superradiance: Single atoms with predefined correlation traverse a high–quality factor cavity one by one, emitting photons cooperatively with the N atoms that have already gone through the cavity (N represents the number of atoms). Enhanced collective photoemission o

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9

Zang, Xue-Ping, Ming Yang, Xian-Cai Wang, Wei Song, and Zhuo-Liang Cao. "Fusion of W states in a cavity quantum electrodynamic system." Canadian Journal of Physics 93, no. 5 (2015): 556–60. http://dx.doi.org/10.1139/cjp-2014-0096.

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In this paper, we study how to fuse two W states into a larger W state in a cavity quantum electrodynamic system. Two atoms are collided within a detuned vacuum cavity mode. One atom is from the first N-atom W state system, and the other is from the second M-atom W state system. The two atoms will be detected after flying out of the cavity mode. If only one excitation is detected between the two atoms, an (N + M − 2)-atom W state can be generated with some probability. If no excitation is detected between the two atoms, the remaining (N − 1)-atom W state and (M − 1)-atom W state can be re-fuse

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10

Schaffrath, Markus, Axel Schulz та Alexander Villinger. "(Acetonitrile-κN)trichloridogallium(III)". Acta Crystallographica Section E Structure Reports Online 63, № 11 (2007): m2764. http://dx.doi.org/10.1107/s1600536807043516.

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In the title complex, [GaCl3(CH3CN)], the GaIII atom shows a slightly distorted tetrahedral coordination, with three Cl atoms and one N atom of the acetonitrile as ligands. The Ga atom, one Cl atom, the N atom, both C atoms and one H atom of the acetonitrile molecule are situated on a mirror plane. The crystal packing is stabilized by several weak intermolecular C—H...Cl hydrogen-bonding contacts.

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11

Gotsi, Georgia. "I Kinisi tou Ekkremous: Atomo kai koinonia sti neoteri elliniki pezografia: 1974‐2017 (‘The pendulum’s swing: Individual and society in contemporary Greek prose fiction: 1974‐2017’), Vangelis Hatzivasileiou (2018)." Journal of Greek Media & Culture 5, no. 2 (2019): 283–89. http://dx.doi.org/10.1386/jgmc.5.2.283_5.

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12

Cheng, Z. Y., Ying Gao, and Jing Zhu. "Determination of Space Site of Vanadium in TiAl(Llo) Intermetallic Compound by ALUCHEMI." Proceedings, annual meeting, Electron Microscopy Society of America 48, no. 2 (1990): 474–75. http://dx.doi.org/10.1017/s0424820100135976.

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The plastic deformation behaviour of the TiAl (Llo type) intermetallic compound is improved by the vanadium macroalloying (1). The knowledge on the space site of V atoms in TiAl is more important for answer what role the vanadium plays during a deformation. By means of ALUCHEMI (Atom Location Using Channeling ―Enhanced Microanalysis) technique (2-3) it has been found that in the gamma phase of the TiAl compound the V atom is dominantly as a substitutional atom to occupy partial positions of Al atoms in this work. In the TiAl the Ti and Al atoms lie on alternate parallel planes (<001>) ,

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13

Loučka, Tomáš. "Adsorption of Sulfur on the Platinum Electrode Surface in One or More Layers." Collection of Czechoslovak Chemical Communications 65, no. 2 (2000): 161–66. http://dx.doi.org/10.1135/cccc20000161.

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The influence of the H2S concentration on the charge required for oxidation of the adsorbed sulfur and on the nonstationary currents passing through the electrode was studied while hydrogen sulfide was introduced into the solution. At higher concentrations, more sulfur atoms are adsorbed on one platinum surface atom. Upon decreasing the concentration one atom of sulfur per one surface atom results and the number of sulfur atoms blocking two surface atoms starts growing gradually.

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14

van Faassen, Meta. "Atoms in boxes: From confined atoms to electron-atom scattering." Journal of Chemical Physics 131, no. 10 (2009): 104108. http://dx.doi.org/10.1063/1.3223281.

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15

Mo, Frode, Ragnvald H. Mathiesen, Jon Are Beukes, and Khanh Minh Vu. "Rochelle salt – a structural reinvestigation with improved tools. I. The high-temperature paraelectric phase at 308 K." IUCrJ 2, no. 1 (2015): 19–28. http://dx.doi.org/10.1107/s2052252514022155.

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The crystal structure of the high-temperature paraelectric phase of Rochelle salt (K+·Na+·C4H4O62−·4H2O) at 308 K has been reinvestigated using synchrotron X-ray diffraction with refinement parametersR(int) = 0.0123, final (shift/e.s.d.)max= 0.019,R1(all) = 0.0371 andwR2(all) = 0.0608. The application of a new gas-flow sample cell designed to control both temperature and relative humidity permitted collection of data of excellent quality and enabled unrestrained refinement of all parameters, including those of the isotropic hydrogen atoms. A precise description of the structure has ensued. One

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16

Willke, Philip, Yujeong Bae, Kai Yang, et al. "Hyperfine interaction of individual atoms on a surface." Science 362, no. 6412 (2018): 336–39. http://dx.doi.org/10.1126/science.aat7047.

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Taking advantage of nuclear spins for electronic structure analysis, magnetic resonance imaging, and quantum devices hinges on knowledge and control of the surrounding atomic-scale environment. We measured and manipulated the hyperfine interaction of individual iron and titanium atoms placed on a magnesium oxide surface by using spin-polarized scanning tunneling microscopy in combination with single-atom electron spin resonance. Using atom manipulation to move single atoms, we found that the hyperfine interaction strongly depended on the binding configuration of the atom. We could extract atom

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17

Wang, Mary X., Soyoung E. Seo, Paul A. Gabrys, et al. "Epitaxy: Programmable Atom Equivalents Versus Atoms." ACS Nano 11, no. 1 (2016): 180–85. http://dx.doi.org/10.1021/acsnano.6b06584.

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18

Meschede, Dieter. "Laser cooling the atom of atoms." Physics World 6, no. 6 (1993): 25–28. http://dx.doi.org/10.1088/2058-7058/6/6/19.

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19

Bartenstein, M., D. Cassettari, T. Calarco, et al. "Atoms and wires: toward atom chips." IEEE Journal of Quantum Electronics 36, no. 12 (2000): 1364–77. http://dx.doi.org/10.1109/3.892555.

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20

Liu, Chun-Bo, Bin Li, Guang-Bo Che та Qun Liu. "Hydrothermal synthesis of a copper(I) stair-like polymer: catena-poly[[bis[5-(4-bromophenyl)-2-(4-pyrimidyl)pyridine]dicopper(I)]-di-μ3-bromo]". Acta Crystallographica Section E Structure Reports Online 62, № 4 (2006): m765—m766. http://dx.doi.org/10.1107/s1600536806008282.

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In the title compound, [Cu2Br2(C16H11BrN2)2] n , each Cu atom displays a distorted tetrahedral coordination formed by three Br atoms and one N atom from 5-(4-bromophenyl)-2-(4-pyridinyl)pyridine. Each Br atom bridges three Cu atoms, forming a stair-like structure along the b axis.

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21

Watanabe, Shunta, and Takashi Nakayama. "Impacts of terminal molecules on metal-atom diffusion into alkane self-assembled-monolayer films: first-principles study." Japanese Journal of Applied Physics 60, no. 12 (2021): 125505. http://dx.doi.org/10.35848/1347-4065/ac3181.

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Abstract The effects of terminal molecules on metal-atom diffusion into alkane self-assembled-monolayer (SAM) films were studied using first-principles calculations. It was shown that the diffusion of Al and Au atoms easily occurs when the alkane molecules have a CH3 termination, while the diffusion is suppressed by COOK terminal molecules for Au atom and by COOH and COOK molecules for Al atom. This is in good agreement with experiments. We showed that such suppression is caused by the orbital-hybridization-induced interaction between a metal atom and terminal molecules: the ionic bonding betw

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22

Chen, Yang-Mei, Xiao-Yu Kuang, Xiao-Wei Sheng, Huai-Qian Wang, Peng Shao, and Min-Ming Zhong. "Investigation of Carbon Monoxide Adsorption on Cationic Gold- Palladium Clusters." Zeitschrift für Naturforschung A 68, no. 10-11 (2013): 651–58. http://dx.doi.org/10.5560/zna.2013-0042.

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Density functional calculations have been performed for the carbon monoxide molecule adsorption on AunPd+m(n+m ≤ 6) clusters. In the process of CO adsorption, small Au clusters and Pd clusters tend to be an Au atom and three Pd atoms adsorption, respectively. For the mixed Au-Pd clusters, an Au atom, a Pd atom, two atoms consisted of an Au atom and a Pd atom, two Pd atoms, and three Pd atoms adsorption structures are displayed. The highest occupied molecular orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gaps and natural bond orbital charge population are calculated. Moreover, CO adso

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23

Vynohradov, Oleksandr S., Vadim A. Pavlenko, Dina D. Naumova, Sofiia V. Partsevska, Sergiu Shova та Safarmamad M. Safarmamadov. "Crystal structure of bis{μ-2-[bis(2-hydroxyethyl)amino]ethanolato}bis(μ-3,5-dimethylpyrazolato)tricopper(II) dibromide sesquihydrate". Acta Crystallographica Section E Crystallographic Communications 76, № 10 (2020): 1641–44. http://dx.doi.org/10.1107/s2056989020012323.

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In the title bicyclic trinuclear pyrazolate aminoalcohol complex, [Cu3(C5H7N2)2(C6H14NO3)2]Br2·1.5H2O, the central Cu atom lies on a center of symmetry and is involved in the formation of two five-membered rings. It has a coordination number of 4, is in a distorted tetrahedral environment and is connected by the bridging oxygen atoms of the deprotonated OH groups of different aminoalcohol groups, and by the N atoms of deprotonated dimethylpyrazole ligands. The peripheral Cu atom is in a trigonal–bipyramidal coordination environment formed by the nitrogen atom of the deprotonated bridging dimet

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YANG, CHIH-KAI. "CONFIGURATION-DEPENDENT MAGNETISM FROM TWO MANGANESE ATOMS ON Cu(001)." Modern Physics Letters B 16, no. 07 (2002): 217–23. http://dx.doi.org/10.1142/s0217984902003701.

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Our calculations, based on first principles, have shown that magnetism from two manganese atoms embedded in the surface layer of Cu(001) depends on their relative positions. If the two Mn atoms are nearest neighbors, the magnetic moment for either atom is only 0.49μB. If separated by one lattice constant, each of the two Mn atoms has a larger moment of 0.66μB and the surrounding Cu atoms also acquire substantial moments. Finally, when a Cu atom is interposed between the two Mn atoms, moment for each Mn atom increases to 3.71μB, about the value of a single Mn impurity in the surface layer. The

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Zhang, Xiu Rong, Lin Yin, Wei Jun Li, and Hui Shuai Tang. "Theory Study on the Geometric Structures and Electronic Properties of Pt_nN^0,±(n=1-5) Clusters." Advanced Materials Research 516-517 (May 2012): 1889–92. http://dx.doi.org/10.4028/www.scientific.net/amr.516-517.1889.

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The geometric structures of PtNN0,± clusters are optimized by the B3LYP/LANL2DZ method of density function theory, the ground state structures are obtained, and the electronic structure are studied. The results show: the N atoms gain the charge when the clusters are formed, but some Pt atoms gain the charge and other Pt atoms lose the charge. N atom and Pt atom have internal heterozygous, and the spd hybridized between Pt atoms and N atoms are increasing with cluster s’ sizes.

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26

Pickardt, Joachim, and Sven Wiese. "Kristallstrukturen der Komplexe Von Quecksilber(Ii)Iodid und -Thiocyanat mit L,13-Bis(8-Chinolyl)-L,4,7,10,13-Pentaoxatridecan („Kryptand 5“)." Zeitschrift für Naturforschung B 55, no. 10 (2000): 971–74. http://dx.doi.org/10.1515/znb-2000-1014.

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AbstractReactions of 1,13-bis(8-chinolyl)-1,4,7,10,13-pentaoxatridecane (“Cryptand 5”) with HgX2 (X = I, SCN) yield crystals of [(cryptand 5)(HgI2)2] (1) and [(cryptand 5 )2{Hg(SCN)2}4] (2), resp. In both complexes two molecules of HgX2 are bound to one ligand molecule. 1 has symmetry Ci with the oxygen atom O(3 ) of the ether chain on a center of symmetry of the unit cell, each Hg atom is bound to the two I atoms, the N atom of the chinolyl residue, and one oxygen atom, O(1) and O(l)i, resp. of the ligand; neighbouring complex units are connected via iodine bridges thus forming chains. In 2 a

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27

Sk, Mahasin Alam, and Sergei Manzhos. "Sodium Interaction with Disodium Terephthalate Molecule: an Ab Initio Study." MRS Advances 1, no. 53 (2016): 3579–84. http://dx.doi.org/10.1557/adv.2016.452.

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ABSTRACTDisodium terephthalate (Na2TP), which is a disodium salt of terephthalic acid, is very promising organic electrode material for Na-ion batteries. We present an ab initio study of Na binding mechanism with Na2TP molecule. Specially, we provide the interaction energy of Na atom(s), effect of Na concentration on interaction energy, electronic properties of clean and Na attached Na2TP, and Na binding mechanism with Na2TP. We show that up to eight Na atoms can be attached to a single Na2TP molecule. The interaction energy of Na atoms varies from -0.79 to -0.66 eV with attachment of one to e

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28

Watanabe, Shunta, Yoko Tomita, Kohei Kawabata, and Takashi Nakayama. "Clustering feature of metal atoms in pentacene molecular solids: a first-principles study." Japanese Journal of Applied Physics 61, no. 2 (2022): 021003. http://dx.doi.org/10.35848/1347-4065/ac41e2.

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Abstract Metal-atom contamination often induces the degradation of organic molecular devices. In this work, we studied the clustering feature of Au and Al impurity metal atoms in pentacene solids by first-principles calculations. We found that Au atoms prefer to produce clusters in a molecule-edge space due to the strong bonding among Au atoms, and such clusters can increase their sizes by producing molecule vacancies. On the other hand, the Al atom prefers to locate separately around the center of pentacene molecules due to the strong bonding between the Al atom and surrounding molecules, whi

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29

Zorya, I. V., and G. M. Poletaev. "Molecular Dynamics Study of Interaction of Carbon, Nitrogen, and Oxygen Impurity Atoms with Self-Interstitial Atoms in Nickel, Silver and Aluminum." Izvestiya of Altai State University, no. 1(117) (March 17, 2021): 27–32. http://dx.doi.org/10.14258/izvasu(2021)1-04.

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The interaction of impurity atoms of carbon, nitrogen, and oxygen with self-interstitial atoms in FCC metals like nickel, silver, and aluminum is studied using the molecular dynamics method. It is found that the self-interstitial atom migration in the crystal lattice follows two mechanisms: dumbbell and crowdion. In this case, the first mechanism that includes one interatomic distance displacement and the rotation of the <001> dumbbell is characterized by broken paths of atomic migration. The second mechanism is described by straight paths along the close-packed directions <011> in

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30

Liu, Hai Xing, Jing Zhong Xiao, Huan Mei Guo, et al. "Study on a Structure of 2,6-pyridine-dicarboxylic Acid Cobalt Calcium Hexahydrate." Advanced Materials Research 739 (August 2013): 30–33. http://dx.doi.org/10.4028/www.scientific.net/amr.739.30.

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The complex C28H32CaCoN4O24has been synthesized from hydrothermal reaction and the crystal structure has been determined by means of single-crystal X-ray diffraction. The Co atom is six-coordinated by two N atoms, four O atoms from two 2,6-pyridinedicarboxylic acid. The Ca atom is eight-coordinated by two N atoms, six O atoms from two 2,6-pyridinedicarboxylic acid and two water molecular. The crystal packing is stabilized by O-H...O hydrogen bonding interactions.

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Altun, Zikri, Erdi Ata Bleda, and Carl Trindle. "Atoms in Highly Symmetric Environments: H in Rhodium and Cobalt Cages, H in an Octahedral Hole in MgO, and Metal Atoms Ca-Zn in C20 Fullerenes." Symmetry 13, no. 7 (2021): 1281. http://dx.doi.org/10.3390/sym13071281.

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An atom trapped in a crystal vacancy, a metal cage, or a fullerene might have many immediate neighbors. Then, the familiar concept of valency or even coordination number seems inadequate to describe the environment of that atom. This difficulty in terminology is illustrated here by four systems: H atoms in tetragonal-pyramidal rhodium cages, H atom in an octahedral cobalt cage, H atom in a MgO octahedral hole, and metal atoms in C20 fullerenes. Density functional theory defines structure and energetics for the systems. Interactions of the atom with its container are characterized by the quantu

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32

Liu, Xiaoxue, Tuo Li та Zhenming Yin. "Crystal structure and fluorescence study of (μ-N-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-N-{4-[(3,5-dimethyl-1H-pyrrol-2-yl)methylideneazaniumyl]phenyl}azanium)bis[difluoridoboron(IV)]". Acta Crystallographica Section E Crystallographic Communications 77, № 2 (2021): 126–29. http://dx.doi.org/10.1107/s2056989021000463.

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The title molecule, C20H20B2F4N4, assumes a planar conformation with all atoms apart from the F atoms lying on the symmetry plane. Each boron atom is four-coordinated by two fluorine atoms, a pyrrole N atom and an imine N atom. Both imine CH=N groups adopt a trans conformation. In the crystal, the molecules self-assemble into a pillar structure through C—H...F hydrogen bonds and π–π interactions. The UV–vis spectrum and fluorescence spectra of the title compound are also reported.

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Liu, Xuejie, Haifeng Sun, Yanzhao Wu, et al. "Theoretical Study of Sulphur Atoms’ Adsorption and Migration Behaviors on Diamond (001) Surface." Coatings 9, no. 3 (2019): 184. http://dx.doi.org/10.3390/coatings9030184.

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The adsorption and migration of sulphur (S) atoms on the diamond (001) surface were investigated through first principles calculations to discover the inherent law in S-doped diamond film growth. Results indicated that deposited S atoms could abstract the hydrogen atom on the surface. The adsorption energies were in a range of 2.47 to 5.5 eV when S atoms were deposited on the hydrogen terminated surface or the surface with open radical sites (ORSs). The S atom could migrate on the surface of the 3ORS slabs and the energy barrier was approximately 1.35 eV. The calculations of the projected dens

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Liu, Xue Jie, Ling Ling Zhao, Yuan Ren, Engelbert Westkaemper, Xin Tan, and Hui Ling Jia. "The Configuration and Evolution of Ti-Si-N Island on TiN(001) Surface: Ab Initio Study." Advanced Materials Research 295-297 (July 2011): 301–6. http://dx.doi.org/10.4028/www.scientific.net/amr.295-297.301.

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In order to study the evolution of Ti-Si-N film growth, the total energies and absorption energies of the Ti-Si-N islands on TiN(001) surface and the activation energy of the configuration evolution have been calculated with the first principle method. Four configurations of Si-2Ti-2N island have been studied, which are a silicon atom in a 2Ti2N island (Si-in-2Ti2N), a silicon atom by a 2Ti2N island (Si-by-2Ti2N), a titanium atom by a 2N1Ti1Si island (Ti-by-2N1Ti1Si), and a nitrogen atom by a 2Ti1N1Si island (N-by-2Ti1N1Si), respectively. The investigation presents some results. In the growth

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35

Garon, Christian N., Alex Milliard, and Frédéric-Georges Fontaine. "6-Bromo-N-methylnaphthalen-2-amine." Acta Crystallographica Section E Structure Reports Online 63, no. 11 (2007): o4338. http://dx.doi.org/10.1107/s1600536807049951.

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In the structure of the title compound, C11H10BrN, all the atoms are coplanar, with the exception of two methyl H atoms, and the geometric parameters around the N atom are consistent with an sp 2-hybridized atom.

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36

HAN, FENG, and YUN-JIE XIA. "PAIRWISE ENTANGLEMENT DYNAMICS OF A MULTIPARTITE SYSTEM IN THE TAVIS–CUMMINGS MODEL." International Journal of Quantum Information 07, no. 07 (2009): 1337–48. http://dx.doi.org/10.1142/s0219749909005821.

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The pairwise entanglement dynamics in a multipartite system consisting of three two-level atoms A, B, C and a single-mode cavity field a is studied via negativity. Three atoms are arranged in such a way that atoms BC are embedded in and locally interact with the cavity while atom A is located in a spatially separate place outside of the cavity. Initially, atom-pair AB is prepared in a Bell-like state while atom C in a superposition of ground and excited state, |gC〉 and |eC〉. It shall be shown that all the pairwise negativities of the total system including atoms and cavity undergo qualitativel

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37

Wang, Shou-Xing. "[N′-(3-Ethoxy-2-oxidobenzylidene)-4-hydroxy-3-methoxybenzohydrazidato](methanol)dioxidomolybdenum(VI)." Acta Crystallographica Section E Structure Reports Online 68, no. 4 (2012): m358—m359. http://dx.doi.org/10.1107/s1600536812008549.

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In the title dioxidomolybdenum(VI) complex, [Mo(C17H16N2O5)O2(CH3OH)], the MoVIatom is coordinated by the phenolate O, imine N and enolic O atoms of the tridentate hydrazone ligand, one methanol O atom, and two oxide O atoms, forming a distorted octahedral coordination geometry. The oxide O atoms adopt acisconformation: one istransto the methanol O atom and the other istransto the ligand N atom. The dihedral angle between the two benzene rings in the hydrazone ligand is 4.0 (3)°. In the crystal, molecules are linked by O—H...N and O—H...O hydrogen bonds.

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38

Wang, Liang. "catena-Poly[(acetatochloridozinc)-μ-1,1′-[1,4-phenylenebis(methylene)]di-1H-imidazole]". Acta Crystallographica Section E Structure Reports Online 69, № 2 (2013): m102. http://dx.doi.org/10.1107/s1600536813000524.

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The title compound, [Zn(CH3CO2)Cl(C14H14N4)]n, is a one-dimensional coordination polymer in which the ZnIIion is tetrahedrally coordinated by two N atoms of a bridging 1,1′-[1,4-phenylenebis(methylene)]di-1H-imidazole ligand, an acetate O atom and a Cl atom. The Cl atom, two acetate O atoms and two acetate C atoms are located on a mirror plane. The coordination of the diimidazole ligand to the ZnIIion gives an infinite one-dimensional zigzag structure along theb-axis direction with the charge balanced by the chloride and acetate ions.

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39

Liang, Gan, Ronald E. Benson, Jiying Li, David Vaknin, and Lee M. Daniels. "LiNi0.66Fe0.34PO4." Acta Crystallographica Section E Structure Reports Online 63, no. 3 (2007): i73—i74. http://dx.doi.org/10.1107/s1600536807007507.

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Lithium nickel(II) iron(II) phosphate, LiNi0.66Fe0.34PO4, was crystallized from an LiCl melt. The structure is closely related to the known phase LiFePO4 but with mixed occupancy at the metal atom site of approximately 66% nickel and 34% iron. The Ni/Fe atom is octahedrally coordinated by six O atoms. The P atoms are tetrahedrally coordinated by four O atoms.

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40

Zhang, Zi Nan, Guo You Gan, Li Hui Wang, et al. "Density-Functional Studies of Cr Adsorbed on Polar ZnO Surfaces." Key Engineering Materials 512-515 (June 2012): 1253–56. http://dx.doi.org/10.4028/www.scientific.net/kem.512-515.1253.

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The atomic structure and electronic properties of Cr adsorbed on polar ZnO surfaces is studied using first-principles calculations based on density functional theory. It is found that the Cr atom at the on top of O forms a strong ionic bond, the electrons transfer from Cr to O atoms. The Cr atom is adsorbed at the hcp-hollow site on Zn-terminated surface forms metallic bonding with the surface Zn atom, shows a free-electron-like behavior. The adsorbed atoms could not effect more atoms in ZnO due to a strong screening of ZnO to the outside metal, the character of adsorption surfaces is only dec

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41

Mackenzie, Andrew. "A foundation for probabilistic beliefs with or without atoms." Theoretical Economics 14, no. 2 (2019): 709–78. http://dx.doi.org/10.3982/te2427.

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We propose two novel axioms for qualitative probability spaces: (i) unlikely atoms, which requires that there is an event containing no atoms that is at least as likely as its complement; and (ii) third‐order atom‐swarming, which requires that for each atom, there is a countable pairwise‐disjoint collection of less‐likely events that can be partitioned into three groups, each with union at least as likely as the given atom. We prove that under monotone continuity, each of these axioms is sufficient to guarantee a unique countably‐additive probability measure representation, generalizing work b

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42

DAT, NGUYEN NHU. "COLLECTIVE EFFECTS IN RESONANCE PROPERTIES OF A SYSTEM OF N TWO-LEVEL ATOMS." Modern Physics Letters B 06, no. 27 (1992): 1737–46. http://dx.doi.org/10.1142/s0217984992001423.

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We consider resonance properties of an assembly of N two-level atoms interacting with an intense photon beam. The atoms are assumed to be noninteracting with each other except via the action of the electromagnetic field. Using the phase representation of the radiation field and the boson description of the atom system we calculate the one-photon resonance frequency for two kinds of the system: a beam of atoms moving with uniform velocity and a Boltzmann atom gas. The resonance frequency shift is found to be dependent on the total number of atoms and the initial preparation of the atom system.

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43

Nguyen, Trung Thanh. "CO-OXIDATION REACTION ACTIVITY OF Pt CLUSTER CATALYSTS ON Ti0.9MO0.1O2 SUPPORT." Vietnam Journal of Science and Technology 54, no. 4B (2018): 193. http://dx.doi.org/10.15625/2525-2518/54/4b/12041.

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Platinum-based heterogeneous catalysts are critical to many important commercial chemical processes. However, their efficiency is extremely low on a per metal atom basis, because only the surface active-site atoms are used. Catalysts with clusters of atom dispersions are thus highly desirable to increase atom efficiency, but making them is challenging. Here we report the synthesis of a catalyst that consists of isolated clusters of Pt atoms anchored to the surfaces of Molybdenum-doped titanium oxide nanocrystallites. This cluster-atom catalyst has extremely high atom efficiency and shows excel

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44

Fan, Ying-Ju, Le Wang, Jian-Ping Ma та Zhong-Xi Sun. "Dichloro(ethanol-κO){(E)-1-[1-(2-pyridyl)ethylidene]thiosemicarbazonato-κ3 N,N′,S}indium(III)". Acta Crystallographica Section E Structure Reports Online 63, № 3 (2007): m845—m846. http://dx.doi.org/10.1107/s1600536807006290.

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Reaction of indium(III) chloride with (E)-1-[1-(2-pyridyl)ethylidene]thiosemicarbazide afforded the title complex, [In(C8H9N4S)Cl2(C2H5OH)]. The ligand is in the enol form coordinating to the InIII atom through one S atom and two N atoms. The InIII atom is further coordinated by two Cl atoms and an ethanol molecule to complete a distorted octahedral coordination geometry.

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45

Wen, Yan-Mei, Tian-Jun Feng та Li-Xin He. "Poly[[aquabis(μ3-isonicotinato-κ3O:O′:N)tris(μ2-isonicotinato-κ3O,O′:N)(nitrato-κO)bis(μ4-oxalato-κ6O1,O2:O2:O1′,O2′:O1′)dierbium(III)tetrasilver(I)] tetrahydrate]". Acta Crystallographica Section E Structure Reports Online 65, № 6 (2009): m676—m677. http://dx.doi.org/10.1107/s160053680901842x.

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In the title coordination polymer, {[Ag4Er2(C6H4NO2)5(C2O4)2(NO3)(H2O)]·4H2O}n, each ErIIIatom is coordinated in a bicapped trigonal–prismatic coordination geometry by three O atoms from two isonicotinate (IN) ligands, four O atoms from two oxalate ligands and one O atom from either a nitrate ion or a water molecule, both of which are half-occupied over the same site. One AgIatom has a Y-shaped geometry defined by one N atom from one IN ligand, one O atom from another IN ligand and one O atom from an oxalate ligand. The other AgIatom is coordinated by two IN ligands and one O atom from an oxal

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46

Ghaemi, Akbar, Saeed Rayati, Kazem Fayyazi, Seik Weng Ng та Edward R. T. Tiekink. "{μ-2-[(3-Amino-2,2-dimethylpropyl)iminomethyl]-6-methoxyphenolato-1:2κ5O1,O6:N,N′,O1}{2-[(3-amino-2,2-dimethylpropyl)iminomethyl]-6-methoxyphenolato-1κ3N,N′,O1}-μ-azido-1:2κ2N:N-azido-2κN-methanol-2κO-dinickel(II)". Acta Crystallographica Section E Structure Reports Online 68, № 8 (2012): m1027—m1028. http://dx.doi.org/10.1107/s1600536812029662.

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Two distinct coordination geometries are found in the binuclear title complex, [Ni2(C13H19N2O2)2(N3)2(CH3OH)], as one Schiff base ligand is pentadentate, coordinatingviathe anticipated oxide O, imine N and amine N atoms (as for the second, tridentate, ligand) but the oxide O is bridging and coordination also occurs through the methoxy O atom. The NiIIatoms are linked by a μ2-oxide atom and one end of a μ2-azide ligand, forming an Ni2ON core. The coordination geometry for the NiIIatom coordinated by the tridentate ligand is completed by the methoxy O atom derived from the pentadentate ligand, w

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47

Sah, Arbind Kumar. "An Atom Laser over Optical Lasers." Himalayan Physics 4 (December 23, 2013): 99–101. http://dx.doi.org/10.3126/hj.v4i0.9438.

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An atom laser is a coherent state of propagating atoms. They are created out of a Bose Einstein Condensation (BEC) of atoms which are output coupled using various techniques. An optical laser or conventional laser generates a coherent beam of light waves where as an atom laser produces a coherent beam of matter waves. An atom laser will have a major impact on the fields of atom optics, atom lithography and precision measurements.The Himalayan Physics Vol. 4, No. 4, 2013 Page: 99-101 Uploaded date: 12/23/2013

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48

Ku, Zong-Jun, Zhong-Hai Zhang та Ke-Li Zhang. "Tris(dimethylammonium) hydrogen α-dodecamolybdosilicate". Acta Crystallographica Section E Structure Reports Online 63, № 3 (2007): m878—m880. http://dx.doi.org/10.1107/s1600536807007192.

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The title compound, (C2H8N)3[HSiMo12O40], has an α-Keggin heteropolyoxo anion with a central SiO4 tetrahedron and three dimethylammonium cations. The asymmetric unit contains one Si atom and one O with site symmetry \overline{3}m, two Mo atoms, seven O atoms, two C atoms and one N atom with site symmetry m, and one Mo and three O atoms in general positions. These cations and anions are linked via N—H...O hydrogen bonds, forming a layer structure.

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49

Caro, A., M. Victoria, and R. S. Averback. "Threshold displacement and interstitial-atom formation energies in Ni3Al." Journal of Materials Research 5, no. 7 (1990): 1409–13. http://dx.doi.org/10.1557/jmr.1990.1409.

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Threshold displacement energies for atomic displacements along 〈110〉, 〈100〉, and 〈111〉 directions, and formation enthalpies of several symmetric interstitial atom configurations were calculated for Ni3Al by computer simulation using “embedded atom method” potentials. The Ni–Ni (100) dumbbell in the plane containing only Ni atoms has the lowest interstitial-atom enthalpy although the enthalpies of other configurations are similar. Interstitial configurations involving Al atoms all have much higher enthalpies. The anisotropy of the threshold energies in Ni3Al is similar to pure metals and no sig

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50

Zhao, Qiang, Zheng Zhang, Yang Li, and Xiaoping Ouyang. "First-Principles Study on Various Point Defects Formed by Hydrogen and Helium Atoms in Tungsten." Science and Technology of Nuclear Installations 2017 (2017): 1–9. http://dx.doi.org/10.1155/2017/6547939.

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The different point defects formed by two hydrogen atoms or two helium atoms in tungsten were investigated through first-principles calculation. The energetically favorable site for a hydrogen atom is tetrahedral interstitial site while substitutional site is the most preferred site for a helium atom. The formation energies of two hydrogen or helium atoms are determined by their positions, and they are not simply 2 times the formation energy of a single hydrogen or helium atom’s defect. After relaxation, two adjacent hydrogen atoms are away from each other while helium atoms are close to each

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